# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_mm567_0m_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2357023'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H20 Cl2 N2 Pt, 0.5(C H2 Cl2), 0.25[]'
_chemical_formula_sum            'C30.50 H21 Cl3 N2 Pt'
_chemical_formula_weight         716.93
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7578(7)
_cell_length_b                   11.7959(8)
_cell_length_c                   21.4886(13)
_cell_angle_alpha                104.299(2)
_cell_angle_beta                 95.141(2)
_cell_angle_gamma                106.641(2)
_cell_volume                     2725.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6719
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.39
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.078
_exptl_absorpt_coefficient_mu    5.465
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0670 before and 0.0479 after correction.
 
For component 2:
 wR2(int) was 0.0879 before and 0.0635 after correction.
 
For component 3:
 wR2(int) was 0.1115 before and 0.0870 after correction.
 The Ratio of minimum to maximum transmission is 0.77.

Final HKLF 4 output contains 113570 reflections, Rint = 0.1039
 (36409 with I > 3sig(I), Rint = 0.0580)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1388
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.95
_exptl_crystal_size_mid          0.92
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9886
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.408
_diffrn_reflns_theta_min         1.835
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'sealed X-ray tube'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7028
_reflns_number_total             9886
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         3.785
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         9886
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+6.9554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0994
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C61(H61A,H61B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23), C24(H24),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34),
 C38(H38), C39(H39), C40(H40), C41(H41), C43(H43), C44(H44), C46(H46), C47(H47),
  C48(H48), C49(H49), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.99262(3) 0.76256(3) 0.32569(2) 0.02088(10) Uani 1 1 d . . . . .
Cl1 Cl 1.11243(19) 0.97360(19) 0.33199(11) 0.0309(5) Uani 1 1 d . . . . .
Cl2 Cl 0.85606(18) 0.74743(19) 0.22963(10) 0.0274(5) Uani 1 1 d . . . . .
N1 N 1.0841(5) 0.6774(6) 0.2652(3) 0.0195(15) Uani 1 1 d . . . . .
N2 N 0.8967(6) 0.8423(6) 0.3874(3) 0.0240(16) Uani 1 1 d . . . . .
C1 C 1.1695(7) 0.7379(8) 0.2370(4) 0.026(2) Uani 1 1 d . . . . .
H1 H 1.190445 0.825244 0.247503 0.031 Uiso 1 1 calc R U . . .
C2 C 1.2282(7) 0.6796(8) 0.1938(4) 0.026(2) Uani 1 1 d . . . . .
H2 H 1.288735 0.725144 0.174840 0.031 Uiso 1 1 calc R U . . .
C3 C 1.1962(7) 0.5518(8) 0.1786(4) 0.029(2) Uani 1 1 d . . . . .
H3 H 1.235675 0.507963 0.149552 0.035 Uiso 1 1 calc R U . . .
C4 C 1.1058(7) 0.4896(8) 0.2066(4) 0.026(2) Uani 1 1 d . . . . .
H4 H 1.081770 0.402033 0.195003 0.031 Uiso 1 1 calc R U . . .
C5 C 1.0494(7) 0.5501(7) 0.2507(4) 0.0193(18) Uani 1 1 d . . . . .
C6 C 0.9482(7) 0.4994(7) 0.2828(4) 0.0203(18) Uani 1 1 d . . . . .
C7 C 0.8945(7) 0.3697(7) 0.2776(4) 0.0211(18) Uani 1 1 d . . . . .
C8 C 0.9499(8) 0.2792(8) 0.2601(4) 0.032(2) Uani 1 1 d . . . . .
H8 H 1.030766 0.302432 0.252802 0.038 Uiso 1 1 calc R U . . .
C9 C 0.8895(9) 0.1565(8) 0.2531(4) 0.035(2) Uani 1 1 d . . . . .
H9 H 0.928690 0.096448 0.240546 0.042 Uiso 1 1 calc R U . . .
C10 C 0.7698(9) 0.1198(9) 0.2647(4) 0.039(2) Uani 1 1 d . . . . .
H10 H 0.726954 0.035006 0.258120 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7169(8) 0.2074(8) 0.2852(4) 0.034(2) Uani 1 1 d . . . . .
H11 H 0.636812 0.182129 0.293461 0.040 Uiso 1 1 calc R U . . .
C12 C 0.7756(7) 0.3345(8) 0.2948(4) 0.024(2) Uani 1 1 d . . . . .
C13 C 0.7256(8) 0.4252(8) 0.3215(4) 0.028(2) Uani 1 1 d . . . . .
H13 H 0.646499 0.400144 0.331144 0.033 Uiso 1 1 calc R U . . .
C14 C 0.7848(7) 0.5485(8) 0.3344(4) 0.0213(19) Uani 1 1 d . . . . .
H14 H 0.750517 0.608267 0.355582 0.026 Uiso 1 1 calc R U . . .
C15 C 0.8982(7) 0.5844(7) 0.3154(4) 0.0222(19) Uani 1 1 d . . . . .
C16 C 0.8509(8) 0.9225(8) 0.3682(4) 0.031(2) Uani 1 1 d . . . . .
H16 H 0.861513 0.934859 0.326792 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7892(8) 0.9876(8) 0.4061(5) 0.037(2) Uani 1 1 d . . . . .
H17 H 0.756644 1.042857 0.391015 0.044 Uiso 1 1 calc R U . . .
C18 C 0.7760(8) 0.9708(8) 0.4660(4) 0.034(2) Uani 1 1 d . . . . .
H18 H 0.732798 1.013393 0.493019 0.041 Uiso 1 1 calc R U . . .
C19 C 0.8254(8) 0.8921(8) 0.4866(4) 0.032(2) Uani 1 1 d . . . . .
H19 H 0.819818 0.883435 0.529126 0.039 Uiso 1 1 calc R U . . .
C20 C 0.8841(7) 0.8239(7) 0.4463(4) 0.0220(19) Uani 1 1 d . . . . .
C21 C 0.9381(8) 0.7430(8) 0.4725(4) 0.029(2) Uani 1 1 d . . . . .
C22 C 0.8909(8) 0.6953(8) 0.5218(4) 0.034(2) Uani 1 1 d . . . . .
H22 H 0.814687 0.700500 0.530885 0.041 Uiso 1 1 calc R U . . .
C23 C 0.9514(9) 0.6409(9) 0.5579(4) 0.038(2) Uani 1 1 d . . . . .
H23 H 0.913110 0.602231 0.587779 0.045 Uiso 1 1 calc R U . . .
C24 C 1.0647(9) 0.6431(9) 0.5505(4) 0.040(2) Uani 1 1 d . . . . .
H24 H 1.108428 0.612647 0.578091 0.048 Uiso 1 1 calc R U . . .
C25 C 1.1192(8) 0.6900(8) 0.5022(4) 0.028(2) Uani 1 1 d . . . . .
C26 C 1.2378(8) 0.6971(9) 0.4966(4) 0.035(2) Uani 1 1 d . . . . .
H26 H 1.282734 0.670934 0.525961 0.041 Uiso 1 1 calc R U . . .
C27 C 1.2901(8) 0.7405(9) 0.4500(5) 0.042(3) Uani 1 1 d . . . . .
H27 H 1.373763 0.754738 0.449859 0.050 Uiso 1 1 calc R U . . .
C28 C 1.2180(8) 0.7646(8) 0.4009(4) 0.031(2) Uani 1 1 d . . . . .
H28 H 1.251869 0.784562 0.364943 0.037 Uiso 1 1 calc R U . . .
C29 C 1.1013(7) 0.7594(8) 0.4046(4) 0.024(2) Uani 1 1 d . . . . .
C30 C 1.0516(8) 0.7315(8) 0.4587(4) 0.028(2) Uani 1 1 d . . . . .
Pt2 Pt 0.33717(3) 0.15041(3) 0.13461(2) 0.01929(10) Uani 1 1 d . . . . .
Cl3 Cl 0.39076(19) 0.01841(19) 0.19572(10) 0.0270(5) Uani 1 1 d . . . . .
Cl4 Cl 0.32526(17) 0.00096(19) 0.03019(10) 0.0251(5) Uani 1 1 d . . . . .
N3 N 0.1556(5) 0.0739(6) 0.1237(3) 0.0196(15) Uani 1 1 d . . . . .
N4 N 0.5159(5) 0.2393(6) 0.1416(3) 0.0185(15) Uani 1 1 d . . . . .
C31 C 0.1036(8) -0.0248(7) 0.1429(4) 0.029(2) Uani 1 1 d . . . . .
H31 H 0.152825 -0.056497 0.166756 0.035 Uiso 1 1 calc R U . . .
C32 C -0.0181(8) -0.0819(8) 0.1295(4) 0.033(2) Uani 1 1 d . . . . .
H32 H -0.054066 -0.149579 0.145552 0.039 Uiso 1 1 calc R U . . .
C33 C -0.0875(8) -0.0381(8) 0.0919(4) 0.033(2) Uani 1 1 d . . . . .
H33 H -0.172326 -0.077041 0.081050 0.040 Uiso 1 1 calc R U . . .
C34 C -0.0353(7) 0.0603(8) 0.0702(4) 0.026(2) Uani 1 1 d . . . . .
H34 H -0.083138 0.087974 0.043086 0.031 Uiso 1 1 calc R U . . .
C35 C 0.0889(7) 0.1207(7) 0.0879(4) 0.0180(18) Uani 1 1 d . . . . .
C36 C 0.1594(7) 0.2249(7) 0.0668(4) 0.0213(19) Uani 1 1 d . . . . .
C37 C 0.1114(7) 0.2879(7) 0.0264(4) 0.0229(19) Uani 1 1 d . . . . .
C38 C -0.0092(7) 0.2856(8) 0.0160(5) 0.030(2) Uani 1 1 d . . . . .
H38 H -0.063852 0.248180 0.040727 0.036 Uiso 1 1 calc R U . . .
C39 C -0.0492(8) 0.3359(9) -0.0287(5) 0.038(2) Uani 1 1 d . . . . .
H39 H -0.131308 0.332370 -0.034918 0.045 Uiso 1 1 calc R U . . .
C40 C 0.0310(9) 0.3943(9) -0.0666(5) 0.042(3) Uani 1 1 d . . . . .
H40 H 0.001804 0.424111 -0.099843 0.051 Uiso 1 1 calc R U . . .
C41 C 0.1486(8) 0.4055(8) -0.0536(4) 0.031(2) Uani 1 1 d . . . . .
H41 H 0.203407 0.448413 -0.076369 0.037 Uiso 1 1 calc R U . . .
C42 C 0.1919(7) 0.3557(7) -0.0076(4) 0.025(2) Uani 1 1 d . . . . .
C43 C 0.3167(8) 0.3700(7) 0.0057(4) 0.025(2) Uani 1 1 d . . . . .
H43 H 0.370013 0.415566 -0.016687 0.030 Uiso 1 1 calc R U . . .
C44 C 0.3627(7) 0.3217(7) 0.0488(4) 0.0195(18) Uani 1 1 d . . . . .
H44 H 0.447061 0.336446 0.057659 0.023 Uiso 1 1 calc R U . . .
C45 C 0.2846(7) 0.2492(7) 0.0806(4) 0.0195(18) Uani 1 1 d . . . . .
C46 C 0.5842(7) 0.1712(8) 0.1165(4) 0.026(2) Uani 1 1 d . . . . .
H46 H 0.548057 0.084146 0.100398 0.031 Uiso 1 1 calc R U . . .
C47 C 0.7020(7) 0.2206(8) 0.1129(4) 0.028(2) Uani 1 1 d . . . . .
H47 H 0.747208 0.169150 0.095278 0.034 Uiso 1 1 calc R U . . .
C48 C 0.7544(7) 0.3463(8) 0.1353(4) 0.024(2) Uani 1 1 d . . . . .
H48 H 0.835533 0.383962 0.131494 0.029 Uiso 1 1 calc R U . . .
C49 C 0.6874(7) 0.4167(8) 0.1633(4) 0.0222(19) Uani 1 1 d . . . . .
H49 H 0.723613 0.503511 0.180629 0.027 Uiso 1 1 calc R U . . .
C50 C 0.5668(7) 0.3625(8) 0.1665(4) 0.024(2) Uani 1 1 d . . . . .
C51 C 0.5022(7) 0.4437(8) 0.2019(4) 0.0232(19) Uani 1 1 d . . . . .
C52 C 0.5487(8) 0.5710(8) 0.2116(5) 0.034(2) Uani 1 1 d . . . . .
H52 H 0.603978 0.601570 0.185406 0.040 Uiso 1 1 calc R U . . .
C53 C 0.5156(8) 0.6546(8) 0.2592(5) 0.035(2) Uani 1 1 d . . . . .
H53 H 0.546176 0.740584 0.263870 0.042 Uiso 1 1 calc R U . . .
C54 C 0.4395(8) 0.6125(9) 0.2988(5) 0.038(2) Uani 1 1 d . . . . .
H54 H 0.422754 0.670248 0.333174 0.045 Uiso 1 1 calc R U . . .
C55 C 0.3847(7) 0.4841(8) 0.2896(4) 0.0244(19) Uani 1 1 d . . . . .
C56 C 0.3061(8) 0.4393(10) 0.3292(4) 0.036(2) Uani 1 1 d . . . . .
H56 H 0.291897 0.495810 0.365231 0.043 Uiso 1 1 calc R U . . .
C57 C 0.2496(8) 0.3170(9) 0.3174(4) 0.034(2) Uani 1 1 d . . . . .
H57 H 0.201185 0.287850 0.346782 0.041 Uiso 1 1 calc R U . . .
C58 C 0.2624(7) 0.2333(8) 0.2618(4) 0.029(2) Uani 1 1 d . . . . .
H58 H 0.217929 0.148245 0.252600 0.034 Uiso 1 1 calc R U . . .
C59 C 0.3392(7) 0.2717(8) 0.2195(4) 0.0224(19) Uani 1 1 d . . . . .
C60 C 0.4091(7) 0.3965(8) 0.2361(4) 0.027(2) Uani 1 1 d . . . . .
Cl5 Cl 0.6070(2) 0.3267(2) -0.04545(12) 0.0417(6) Uani 1 1 d . . . . .
Cl6 Cl 0.3837(2) 0.1791(2) -0.13620(12) 0.0424(6) Uani 1 1 d . . . . .
C61 C 0.5002(8) 0.1772(8) -0.0788(5) 0.033(2) Uani 1 1 d . . . . .
H61A H 0.541035 0.119429 -0.100327 0.040 Uiso 1 1 calc R U . . .
H61B H 0.465207 0.147375 -0.043347 0.040 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.448(2) . ?
Pt1 Cl2 2.435(2) . ?
Pt1 N1 2.020(6) . ?
Pt1 N2 2.043(7) . ?
Pt1 C15 2.022(8) . ?
Pt1 C29 2.045(8) . ?
N1 C1 1.340(10) . ?
N1 C5 1.383(10) . ?
N2 C16 1.341(10) . ?
N2 C20 1.351(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.372(11) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(11) . ?
C5 C6 1.481(11) . ?
C6 C7 1.450(11) . ?
C6 C15 1.382(11) . ?
C7 C8 1.397(11) . ?
C7 C12 1.449(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.380(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.413(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.357(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.413(12) . ?
C12 C13 1.392(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.365(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.409(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.364(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.365(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(11) . ?
C20 C21 1.476(11) . ?
C21 C22 1.403(12) . ?
C21 C30 1.429(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.350(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.411(13) . ?
C25 C26 1.391(12) . ?
C25 C30 1.436(11) . ?
C26 H26 0.9500 . ?
C26 C27 1.352(13) . ?
C27 H27 0.9500 . ?
C27 C28 1.427(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.366(11) . ?
C29 C30 1.415(11) . ?
Pt2 Cl3 2.443(2) . ?
Pt2 Cl4 2.452(2) . ?
Pt2 N3 2.032(6) . ?
Pt2 N4 2.035(6) . ?
Pt2 C45 2.009(8) . ?
Pt2 C59 2.014(8) . ?
N3 C31 1.332(10) . ?
N3 C35 1.365(10) . ?
N4 C46 1.348(10) . ?
N4 C50 1.347(10) . ?
C31 H31 0.9500 . ?
C31 C32 1.364(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.386(13) . ?
C33 H33 0.9500 . ?
C33 C34 1.360(12) . ?
C34 H34 0.9500 . ?
C34 C35 1.399(10) . ?
C35 C36 1.470(11) . ?
C36 C37 1.449(11) . ?
C36 C45 1.405(11) . ?
C37 C38 1.407(11) . ?
C37 C42 1.429(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.363(12) . ?
C39 H39 0.9500 . ?
C39 C40 1.438(13) . ?
C40 H40 0.9500 . ?
C40 C41 1.347(12) . ?
C41 H41 0.9500 . ?
C41 C42 1.398(12) . ?
C42 C43 1.422(11) . ?
C43 H43 0.9500 . ?
C43 C44 1.349(11) . ?
C44 H44 0.9500 . ?
C44 C45 1.412(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.357(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.372(12) . ?
C48 H48 0.9500 . ?
C48 C49 1.373(11) . ?
C49 H49 0.9500 . ?
C49 C50 1.394(11) . ?
C50 C51 1.495(11) . ?
C51 C52 1.397(12) . ?
C51 C60 1.430(11) . ?
C52 H52 0.9500 . ?
C52 C53 1.400(12) . ?
C53 H53 0.9500 . ?
C53 C54 1.365(12) . ?
C54 H54 0.9500 . ?
C54 C55 1.421(12) . ?
C55 C56 1.393(12) . ?
C55 C60 1.454(11) . ?
C56 H56 0.9500 . ?
C56 C57 1.351(13) . ?
C57 H57 0.9500 . ?
C57 C58 1.398(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.402(12) . ?
C59 C60 1.401(11) . ?
Cl5 C61 1.774(9) . ?
Cl6 C61 1.768(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 92.06(7) . . ?
N1 Pt1 Cl1 96.27(19) . . ?
N1 Pt1 Cl2 88.00(19) . . ?
N1 Pt1 N2 177.8(3) . . ?
N1 Pt1 C15 80.2(3) . . ?
N1 Pt1 C29 90.3(3) . . ?
N2 Pt1 Cl1 85.92(19) . . ?
N2 Pt1 Cl2 92.3(2) . . ?
N2 Pt1 C29 89.3(3) . . ?
C15 Pt1 Cl1 176.3(2) . . ?
C15 Pt1 Cl2 86.8(2) . . ?
C15 Pt1 N2 97.6(3) . . ?
C15 Pt1 C29 88.4(3) . . ?
C29 Pt1 Cl1 92.6(2) . . ?
C29 Pt1 Cl2 175.2(2) . . ?
C1 N1 Pt1 122.9(5) . . ?
C1 N1 C5 120.5(7) . . ?
C5 N1 Pt1 116.4(5) . . ?
C16 N2 Pt1 116.2(6) . . ?
C16 N2 C20 119.9(7) . . ?
C20 N2 Pt1 123.8(5) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.0(8) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 121.0 . . ?
C1 C2 C3 117.9(8) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.7(8) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.4(8) . . ?
C5 C4 H4 118.8 . . ?
N1 C5 C6 112.7(6) . . ?
C4 C5 N1 117.4(7) . . ?
C4 C5 C6 129.8(7) . . ?
C7 C6 C5 125.0(7) . . ?
C15 C6 C5 115.1(7) . . ?
C15 C6 C7 119.6(7) . . ?
C8 C7 C6 125.3(8) . . ?
C8 C7 C12 118.5(8) . . ?
C12 C7 C6 116.1(7) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.3(8) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.4(8) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.0(9) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 118.5 . . ?
C10 C11 C12 123.0(9) . . ?
C12 C11 H11 118.5 . . ?
C11 C12 C7 117.4(8) . . ?
C13 C12 C7 119.7(7) . . ?
C13 C12 C11 122.9(8) . . ?
C12 C13 H13 118.4 . . ?
C14 C13 C12 123.1(8) . . ?
C14 C13 H13 118.4 . . ?
C13 C14 H14 121.0 . . ?
C13 C14 C15 117.9(7) . . ?
C15 C14 H14 121.0 . . ?
C6 C15 Pt1 114.7(6) . . ?
C6 C15 C14 122.1(7) . . ?
C14 C15 Pt1 122.9(6) . . ?
N2 C16 H16 118.7 . . ?
N2 C16 C17 122.7(9) . . ?
C17 C16 H16 118.7 . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.4(8) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.3(8) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.2(8) . . ?
C20 C19 H19 119.4 . . ?
N2 C20 C19 118.5(7) . . ?
N2 C20 C21 123.1(7) . . ?
C19 C20 C21 118.2(8) . . ?
C22 C21 C20 119.7(8) . . ?
C22 C21 C30 117.7(8) . . ?
C30 C21 C20 121.4(8) . . ?
C21 C22 H22 118.7 . . ?
C23 C22 C21 122.5(9) . . ?
C23 C22 H22 118.7 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(9) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 120.9(9) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C30 119.6(8) . . ?
C26 C25 C24 120.7(8) . . ?
C26 C25 C30 119.7(8) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 C25 121.0(9) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 H27 120.4 . . ?
C26 C27 C28 119.2(9) . . ?
C28 C27 H27 120.4 . . ?
C27 C28 H28 119.3 . . ?
C29 C28 C27 121.3(8) . . ?
C29 C28 H28 119.3 . . ?
C28 C29 Pt1 119.7(6) . . ?
C28 C29 C30 119.3(8) . . ?
C30 C29 Pt1 120.2(6) . . ?
C21 C30 C25 118.3(8) . . ?
C29 C30 C21 123.5(8) . . ?
C29 C30 C25 118.2(8) . . ?
Cl3 Pt2 Cl4 91.74(7) . . ?
N3 Pt2 Cl3 96.57(19) . . ?
N3 Pt2 Cl4 86.94(19) . . ?
N3 Pt2 N4 174.5(2) . . ?
N4 Pt2 Cl3 88.86(18) . . ?
N4 Pt2 Cl4 93.54(19) . . ?
C45 Pt2 Cl3 176.3(2) . . ?
C45 Pt2 Cl4 85.7(2) . . ?
C45 Pt2 N3 80.6(3) . . ?
C45 Pt2 N4 94.0(3) . . ?
C45 Pt2 C59 93.3(3) . . ?
C59 Pt2 Cl3 89.2(2) . . ?
C59 Pt2 Cl4 177.5(2) . . ?
C59 Pt2 N3 90.7(3) . . ?
C59 Pt2 N4 88.8(3) . . ?
C31 N3 Pt2 123.2(6) . . ?
C31 N3 C35 121.0(7) . . ?
C35 N3 Pt2 115.3(5) . . ?
C46 N4 Pt2 117.5(5) . . ?
C50 N4 Pt2 123.4(5) . . ?
C50 N4 C46 119.0(7) . . ?
N3 C31 H31 118.9 . . ?
N3 C31 C32 122.2(9) . . ?
C32 C31 H31 118.9 . . ?
C31 C32 H32 121.1 . . ?
C31 C32 C33 117.9(8) . . ?
C33 C32 H32 121.1 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.6(8) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 119.9(8) . . ?
C35 C34 H34 120.0 . . ?
N3 C35 C34 118.3(7) . . ?
N3 C35 C36 114.9(7) . . ?
C34 C35 C36 126.6(7) . . ?
C37 C36 C35 126.0(7) . . ?
C45 C36 C35 113.7(7) . . ?
C45 C36 C37 119.6(7) . . ?
C38 C37 C36 125.5(8) . . ?
C38 C37 C42 116.8(8) . . ?
C42 C37 C36 117.7(7) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 C37 121.2(9) . . ?
C39 C38 H38 119.4 . . ?
C38 C39 H39 119.5 . . ?
C38 C39 C40 121.0(9) . . ?
C40 C39 H39 119.5 . . ?
C39 C40 H40 120.9 . . ?
C41 C40 C39 118.2(9) . . ?
C41 C40 H40 120.9 . . ?
C40 C41 H41 119.2 . . ?
C40 C41 C42 121.7(9) . . ?
C42 C41 H41 119.2 . . ?
C41 C42 C37 120.6(8) . . ?
C41 C42 C43 120.5(8) . . ?
C43 C42 C37 118.8(8) . . ?
C42 C43 H43 118.6 . . ?
C44 C43 C42 122.8(8) . . ?
C44 C43 H43 118.6 . . ?
C43 C44 H44 120.2 . . ?
C43 C44 C45 119.6(8) . . ?
C45 C44 H44 120.2 . . ?
C36 C45 Pt2 115.0(6) . . ?
C36 C45 C44 120.5(7) . . ?
C44 C45 Pt2 123.6(6) . . ?
N4 C46 H46 118.3 . . ?
N4 C46 C47 123.3(8) . . ?
C47 C46 H46 118.3 . . ?
C46 C47 H47 120.6 . . ?
C46 C47 C48 118.7(8) . . ?
C48 C47 H47 120.6 . . ?
C47 C48 H48 120.7 . . ?
C47 C48 C49 118.7(7) . . ?
C49 C48 H48 120.7 . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 120.9(8) . . ?
C50 C49 H49 119.5 . . ?
N4 C50 C49 119.2(7) . . ?
N4 C50 C51 122.8(7) . . ?
C49 C50 C51 117.8(7) . . ?
C52 C51 C50 118.8(7) . . ?
C52 C51 C60 119.5(8) . . ?
C60 C51 C50 120.7(8) . . ?
C51 C52 H52 119.2 . . ?
C51 C52 C53 121.5(9) . . ?
C53 C52 H52 119.2 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0(9) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 119.3 . . ?
C53 C54 C55 121.3(8) . . ?
C55 C54 H54 119.3 . . ?
C54 C55 C60 118.9(8) . . ?
C56 C55 C54 122.2(8) . . ?
C56 C55 C60 118.9(8) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 C55 121.2(9) . . ?
C57 C56 H56 119.4 . . ?
C56 C57 H57 119.9 . . ?
C56 C57 C58 120.1(9) . . ?
C58 C57 H57 119.9 . . ?
C57 C58 H58 119.2 . . ?
C57 C58 C59 121.7(8) . . ?
C59 C58 H58 119.2 . . ?
C58 C59 Pt2 119.5(6) . . ?
C60 C59 Pt2 122.3(6) . . ?
C60 C59 C58 118.1(8) . . ?
C51 C60 C55 117.6(8) . . ?
C59 C60 C51 123.3(8) . . ?
C59 C60 C55 119.0(8) . . ?
Cl5 C61 H61A 109.5 . . ?
Cl5 C61 H61B 109.5 . . ?
Cl6 C61 Cl5 110.9(5) . . ?
Cl6 C61 H61A 109.5 . . ?
Cl6 C61 H61B 109.5 . . ?
H61A C61 H61B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -177.2(6) . . . . ?
Pt1 N1 C5 C4 176.4(6) . . . . ?
Pt1 N1 C5 C6 0.5(8) . . . . ?
Pt1 N2 C16 C17 -176.8(7) . . . . ?
Pt1 N2 C20 C19 174.3(6) . . . . ?
Pt1 N2 C20 C21 -0.4(11) . . . . ?
Pt1 C29 C30 C21 -20.8(11) . . . . ?
Pt1 C29 C30 C25 159.6(6) . . . . ?
N1 C1 C2 C3 0.4(12) . . . . ?
N1 C5 C6 C7 -178.7(7) . . . . ?
N1 C5 C6 C15 6.5(10) . . . . ?
N2 C16 C17 C18 1.0(14) . . . . ?
N2 C20 C21 C22 -158.8(8) . . . . ?
N2 C20 C21 C30 34.1(12) . . . . ?
C1 N1 C5 C4 -0.1(11) . . . . ?
C1 N1 C5 C6 -175.9(7) . . . . ?
C1 C2 C3 C4 1.2(12) . . . . ?
C2 C3 C4 C5 -2.3(13) . . . . ?
C3 C4 C5 N1 1.7(12) . . . . ?
C3 C4 C5 C6 176.7(8) . . . . ?
C4 C5 C6 C7 6.1(13) . . . . ?
C4 C5 C6 C15 -168.7(8) . . . . ?
C5 N1 C1 C2 -1.0(12) . . . . ?
C5 C6 C7 C8 21.2(13) . . . . ?
C5 C6 C7 C12 -161.3(7) . . . . ?
C5 C6 C15 Pt1 -10.5(9) . . . . ?
C5 C6 C15 C14 163.9(7) . . . . ?
C6 C7 C8 C9 -176.6(8) . . . . ?
C6 C7 C12 C11 175.0(7) . . . . ?
C6 C7 C12 C13 -7.0(11) . . . . ?
C7 C6 C15 Pt1 174.4(6) . . . . ?
C7 C6 C15 C14 -11.2(12) . . . . ?
C7 C8 C9 C10 -0.9(14) . . . . ?
C7 C12 C13 C14 -1.9(13) . . . . ?
C8 C7 C12 C11 -7.4(11) . . . . ?
C8 C7 C12 C13 170.7(8) . . . . ?
C8 C9 C10 C11 -2.7(14) . . . . ?
C9 C10 C11 C12 0.9(14) . . . . ?
C10 C11 C12 C7 4.1(13) . . . . ?
C10 C11 C12 C13 -173.9(9) . . . . ?
C11 C12 C13 C14 176.0(8) . . . . ?
C12 C7 C8 C9 6.0(13) . . . . ?
C12 C13 C14 C15 4.7(13) . . . . ?
C13 C14 C15 Pt1 175.9(6) . . . . ?
C13 C14 C15 C6 2.1(12) . . . . ?
C15 C6 C7 C8 -164.2(8) . . . . ?
C15 C6 C7 C12 13.3(11) . . . . ?
C16 N2 C20 C19 -1.4(12) . . . . ?
C16 N2 C20 C21 -176.2(8) . . . . ?
C16 C17 C18 C19 1.0(14) . . . . ?
C17 C18 C19 C20 -3.2(14) . . . . ?
C18 C19 C20 N2 3.4(13) . . . . ?
C18 C19 C20 C21 178.5(8) . . . . ?
C19 C20 C21 C22 26.5(12) . . . . ?
C19 C20 C21 C30 -140.7(9) . . . . ?
C20 N2 C16 C17 -0.7(13) . . . . ?
C20 C21 C22 C23 -166.2(8) . . . . ?
C20 C21 C30 C25 157.9(8) . . . . ?
C20 C21 C30 C29 -21.8(13) . . . . ?
C21 C22 C23 C24 6.4(14) . . . . ?
C22 C21 C30 C25 -9.5(12) . . . . ?
C22 C21 C30 C29 170.8(8) . . . . ?
C22 C23 C24 C25 -5.8(14) . . . . ?
C23 C24 C25 C26 177.2(9) . . . . ?
C23 C24 C25 C30 -2.5(13) . . . . ?
C24 C25 C26 C27 179.2(9) . . . . ?
C24 C25 C30 C21 10.2(12) . . . . ?
C24 C25 C30 C29 -170.1(8) . . . . ?
C25 C26 C27 C28 -8.0(14) . . . . ?
C26 C25 C30 C21 -169.5(8) . . . . ?
C26 C25 C30 C29 10.2(12) . . . . ?
C26 C27 C28 C29 8.2(14) . . . . ?
C27 C28 C29 Pt1 -168.6(7) . . . . ?
C27 C28 C29 C30 1.0(13) . . . . ?
C28 C29 C30 C21 169.7(8) . . . . ?
C28 C29 C30 C25 -9.9(12) . . . . ?
C30 C21 C22 C23 1.4(13) . . . . ?
C30 C25 C26 C27 -1.1(14) . . . . ?
Pt2 N3 C31 C32 -173.5(6) . . . . ?
Pt2 N3 C35 C34 170.6(6) . . . . ?
Pt2 N3 C35 C36 -4.1(8) . . . . ?
Pt2 N4 C46 C47 174.1(7) . . . . ?
Pt2 N4 C50 C49 -173.5(6) . . . . ?
Pt2 N4 C50 C51 10.9(11) . . . . ?
Pt2 C59 C60 C51 -13.1(11) . . . . ?
Pt2 C59 C60 C55 165.1(6) . . . . ?
N3 C31 C32 C33 3.3(13) . . . . ?
N3 C35 C36 C37 177.5(7) . . . . ?
N3 C35 C36 C45 7.2(10) . . . . ?
N4 C46 C47 C48 -0.8(13) . . . . ?
N4 C50 C51 C52 -164.1(8) . . . . ?
N4 C50 C51 C60 27.9(12) . . . . ?
C31 N3 C35 C34 -1.7(11) . . . . ?
C31 N3 C35 C36 -176.4(7) . . . . ?
C31 C32 C33 C34 -1.2(13) . . . . ?
C32 C33 C34 C35 -2.2(13) . . . . ?
C33 C34 C35 N3 3.7(12) . . . . ?
C33 C34 C35 C36 177.7(8) . . . . ?
C34 C35 C36 C37 3.3(13) . . . . ?
C34 C35 C36 C45 -167.0(8) . . . . ?
C35 N3 C31 C32 -1.8(12) . . . . ?
C35 C36 C37 C38 19.5(13) . . . . ?
C35 C36 C37 C42 -158.7(8) . . . . ?
C35 C36 C45 Pt2 -7.0(8) . . . . ?
C35 C36 C45 C44 162.7(7) . . . . ?
C36 C37 C38 C39 -172.3(8) . . . . ?
C36 C37 C42 C41 171.9(7) . . . . ?
C36 C37 C42 C43 -7.2(11) . . . . ?
C37 C36 C45 Pt2 -177.9(6) . . . . ?
C37 C36 C45 C44 -8.3(11) . . . . ?
C37 C38 C39 C40 -0.6(14) . . . . ?
C37 C42 C43 C44 0.4(12) . . . . ?
C38 C37 C42 C41 -6.4(12) . . . . ?
C38 C37 C42 C43 174.4(7) . . . . ?
C38 C39 C40 C41 -4.5(14) . . . . ?
C39 C40 C41 C42 3.9(14) . . . . ?
C40 C41 C42 C37 1.6(13) . . . . ?
C40 C41 C42 C43 -179.3(8) . . . . ?
C41 C42 C43 C44 -178.7(8) . . . . ?
C42 C37 C38 C39 5.8(12) . . . . ?
C42 C43 C44 C45 2.7(12) . . . . ?
C43 C44 C45 Pt2 170.0(6) . . . . ?
C43 C44 C45 C36 1.3(11) . . . . ?
C45 C36 C37 C38 -170.7(8) . . . . ?
C45 C36 C37 C42 11.1(11) . . . . ?
C46 N4 C50 C49 2.5(12) . . . . ?
C46 N4 C50 C51 -173.1(8) . . . . ?
C46 C47 C48 C49 3.1(13) . . . . ?
C47 C48 C49 C50 -2.7(12) . . . . ?
C48 C49 C50 N4 -0.2(12) . . . . ?
C48 C49 C50 C51 175.7(7) . . . . ?
C49 C50 C51 C52 20.2(12) . . . . ?
C49 C50 C51 C60 -147.8(8) . . . . ?
C50 N4 C46 C47 -2.1(13) . . . . ?
C50 C51 C52 C53 -161.3(8) . . . . ?
C50 C51 C60 C55 155.3(8) . . . . ?
C50 C51 C60 C59 -26.5(12) . . . . ?
C51 C52 C53 C54 2.2(14) . . . . ?
C52 C51 C60 C55 -12.6(12) . . . . ?
C52 C51 C60 C59 165.6(8) . . . . ?
C52 C53 C54 C55 -5.1(14) . . . . ?
C53 C54 C55 C56 -179.5(9) . . . . ?
C53 C54 C55 C60 -1.1(13) . . . . ?
C54 C55 C56 C57 176.2(8) . . . . ?
C54 C55 C60 C51 9.8(12) . . . . ?
C54 C55 C60 C59 -168.5(8) . . . . ?
C55 C56 C57 C58 -4.8(14) . . . . ?
C56 C55 C60 C51 -171.7(8) . . . . ?
C56 C55 C60 C59 10.1(12) . . . . ?
C56 C57 C58 C59 4.2(13) . . . . ?
C57 C58 C59 Pt2 -172.1(6) . . . . ?
C57 C58 C59 C60 3.6(12) . . . . ?
C58 C59 C60 C51 171.3(8) . . . . ?
C58 C59 C60 C55 -10.5(12) . . . . ?
C60 C51 C52 C53 6.9(13) . . . . ?
C60 C55 C56 C57 -2.3(13) . . . . ?

# start Validation Reply Form
_vrf_CRYSS02_mo_mm567_0m_a_sq    
;
PROBLEM: The value of _exptl_crystal_size_mid is > 0.8
RESPONSE: These crystals were very thin, fragile plates.  They could
not be cut without destroying them or rendering them even worse
scatterers than they already were.
;
_vrf_PLAT971_mo_mm567_0m_a_sq    
;
PROBLEM: Check Calcd Resid. Dens.  0.93Ang From Pt1             3.73 eA-3  
RESPONSE: This large peak is adjacent one of the Pt atoms.  Both Pt atoms
have large residual electron density nearby, thus there are likely the 
result of an inadequate absorption correct, which is not surprising given
the crystal morphology.
;
_vrf_PLAT410_mo_mm567_0m_a_sq    
;
PROBLEM: Short Intra H...H Contact  H34      ..H38      .       1.85 Ang.  
RESPONSE: The nature of the ligand and its coordination to Pt results in
a shorter than normal distance between these two H atoms.
;
# end Validation Reply Form

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.261 0.500 317 116 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop oil'
_olex2_submission_original_sample_id NAPPtIV56
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_mm585_0m_b
_database_code_depnum_ccdc_archive 'CCDC 2357026'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H20 N2 Pt'
_chemical_formula_sum            'C30 H20 N2 Pt'
_chemical_formula_weight         603.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.2246(7)
_cell_length_b                   7.6549(3)
_cell_length_c                   18.0393(8)
_cell_angle_alpha                90
_cell_angle_beta                 109.5030(10)
_cell_angle_gamma                90
_cell_volume                     2111.89(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   0.690
_shelx_estimated_absorpt_T_min   0.162
_exptl_absorpt_coefficient_mu    6.666
_exptl_absorpt_correction_T_max  0.670
_exptl_absorpt_correction_T_min  0.508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0580 before and 0.0286 after correction.
The ratio of minimum to maximum transmission is 0.7579.
The λ/2 correction factor is not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34621
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.565
_diffrn_reflns_theta_min         2.067
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5853
_reflns_number_total             6438
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6438
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0168
_refine_ls_R_factor_gt           0.0136
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0113P)²+2.0534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0311
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.65037(2) 0.66831(2) 0.70361(2) 0.01106(2) Uani 1 1 d . . . . .
N1 N 0.78614(9) 0.65212(18) 0.75706(8) 0.0136(2) Uani 1 1 d . . . . .
N2 N 0.60177(9) 0.63405(18) 0.79799(8) 0.0134(3) Uani 1 1 d . . . . .
C1 C 0.82735(11) 0.7038(2) 0.83149(10) 0.0165(3) Uani 1 1 d . . . . .
H1 H 0.794179 0.715869 0.865758 0.020 Uiso 1 1 calc R U . . .
C2 C 0.91597(12) 0.7404(2) 0.86044(10) 0.0193(3) Uani 1 1 d . . . . .
H2 H 0.943470 0.772956 0.913848 0.023 Uiso 1 1 calc R U . . .
C3 C 0.96349(11) 0.7283(2) 0.80963(10) 0.0189(3) Uani 1 1 d . . . . .
H3 H 1.024245 0.754054 0.827430 0.023 Uiso 1 1 calc R U . . .
C4 C 0.92118(11) 0.6780(2) 0.73239(10) 0.0166(3) Uani 1 1 d . . . . .
H4 H 0.953086 0.671207 0.696876 0.020 Uiso 1 1 calc R U . . .
C5 C 0.83219(10) 0.6371(2) 0.70623(9) 0.0135(3) Uani 1 1 d . . . . .
C6 C 0.77642(10) 0.5938(2) 0.62510(9) 0.0134(3) Uani 1 1 d . . . . .
C7 C 0.80775(10) 0.5192(2) 0.56616(9) 0.0142(3) Uani 1 1 d . . . . .
C8 C 0.89529(11) 0.4631(2) 0.57901(10) 0.0182(3) Uani 1 1 d . . . . .
H8 H 0.937442 0.473478 0.630098 0.022 Uiso 1 1 calc R U . . .
C9 C 0.92008(12) 0.3947(2) 0.51943(11) 0.0213(3) Uani 1 1 d . . . . .
H9 H 0.978963 0.358848 0.530044 0.026 Uiso 1 1 calc R U . . .
C10 C 0.85973(13) 0.3765(2) 0.44260(11) 0.0225(4) Uani 1 1 d . . . . .
H10 H 0.878177 0.334444 0.401133 0.027 Uiso 1 1 calc R U . . .
C11 C 0.77421(12) 0.4206(2) 0.42893(10) 0.0203(3) Uani 1 1 d . . . . .
H11 H 0.732767 0.404484 0.377859 0.024 Uiso 1 1 calc R U . . .
C12 C 0.74615(11) 0.4897(2) 0.48947(9) 0.0152(3) Uani 1 1 d . . . . .
C13 C 0.65626(11) 0.5215(2) 0.47536(9) 0.0162(3) Uani 1 1 d . . . . .
H13 H 0.615099 0.500299 0.424599 0.019 Uiso 1 1 calc R U . . .
C14 C 0.62806(11) 0.5822(2) 0.53396(9) 0.0149(3) Uani 1 1 d . . . . .
H14 H 0.567078 0.597155 0.523405 0.018 Uiso 1 1 calc R U . . .
C15 C 0.68678(10) 0.6239(2) 0.61041(9) 0.0128(3) Uani 1 1 d . . . . .
C16 C 0.64122(11) 0.5388(2) 0.86287(9) 0.0171(3) Uani 1 1 d . . . . .
H16 H 0.702068 0.516407 0.876476 0.020 Uiso 1 1 calc R U . . .
C17 C 0.59770(12) 0.4718(2) 0.91085(10) 0.0193(3) Uani 1 1 d . . . . .
H17 H 0.628471 0.410805 0.957799 0.023 Uiso 1 1 calc R U . . .
C18 C 0.50803(12) 0.4962(2) 0.88852(10) 0.0194(3) Uani 1 1 d . . . . .
H18 H 0.475710 0.448299 0.918930 0.023 Uiso 1 1 calc R U . . .
C19 C 0.46620(11) 0.5918(2) 0.82093(9) 0.0171(3) Uani 1 1 d . . . . .
H19 H 0.404595 0.607116 0.804236 0.021 Uiso 1 1 calc R U . . .
C20 C 0.51412(10) 0.6656(2) 0.77741(9) 0.0138(3) Uani 1 1 d . . . . .
C21 C 0.47790(10) 0.7654(2) 0.70413(9) 0.0133(3) Uani 1 1 d . . . . .
C22 C 0.40089(10) 0.8722(2) 0.68604(9) 0.0141(3) Uani 1 1 d . . . . .
C23 C 0.35856(11) 0.9206(3) 0.74063(10) 0.0196(3) Uani 1 1 d . . . . .
H23 H 0.379386 0.874643 0.792507 0.023 Uiso 1 1 calc R U . . .
C24 C 0.28822(12) 1.0322(3) 0.71976(11) 0.0262(4) Uani 1 1 d . . . . .
H24 H 0.261401 1.062218 0.757474 0.031 Uiso 1 1 calc R U . . .
C25 C 0.25511(12) 1.1032(3) 0.64328(11) 0.0249(4) Uani 1 1 d . . . . .
H25 H 0.205581 1.178071 0.629098 0.030 Uiso 1 1 calc R U . . .
C26 C 0.29528(11) 1.0627(2) 0.58998(10) 0.0190(3) Uani 1 1 d . . . . .
H26 H 0.273584 1.111154 0.538596 0.023 Uiso 1 1 calc R U . . .
C27 C 0.36868(10) 0.9500(2) 0.60979(9) 0.0142(3) Uani 1 1 d . . . . .
C28 C 0.41531(11) 0.9253(2) 0.55692(9) 0.0149(3) Uani 1 1 d . . . . .
H28 H 0.391783 0.969027 0.504776 0.018 Uiso 1 1 calc R U . . .
C29 C 0.49371(10) 0.8397(2) 0.57968(9) 0.0143(3) Uani 1 1 d . . . . .
H29 H 0.526277 0.835876 0.544643 0.017 Uiso 1 1 calc R U . . .
C30 C 0.52829(10) 0.7557(2) 0.65438(9) 0.0131(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.0927(14) . ?
Pt1 N2 2.1180(14) . ?
Pt1 C15 1.9886(16) . ?
Pt1 C30 1.9962(16) . ?
N1 C1 1.344(2) . ?
N1 C5 1.367(2) . ?
N2 C16 1.346(2) . ?
N2 C20 1.366(2) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.397(2) . ?
C5 C6 1.479(2) . ?
C6 C7 1.441(2) . ?
C6 C15 1.408(2) . ?
C7 C8 1.427(2) . ?
C7 C12 1.428(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.371(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.412(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.368(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.419(2) . ?
C12 C13 1.415(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.366(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.426(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.387(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.395(2) . ?
C20 C21 1.469(2) . ?
C21 C22 1.437(2) . ?
C21 C30 1.403(2) . ?
C22 C23 1.425(2) . ?
C22 C27 1.428(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.411(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.365(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.417(2) . ?
C27 C28 1.414(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.367(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.428(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 N2 103.86(5) . . ?
C15 Pt1 N1 79.35(6) . . ?
C15 Pt1 N2 162.54(6) . . ?
C15 Pt1 C30 102.23(6) . . ?
C30 Pt1 N1 163.81(6) . . ?
C30 Pt1 N2 79.55(6) . . ?
C1 N1 Pt1 122.60(11) . . ?
C1 N1 C5 119.58(14) . . ?
C5 N1 Pt1 115.02(10) . . ?
C16 N2 Pt1 124.72(11) . . ?
C16 N2 C20 118.82(14) . . ?
C20 N2 Pt1 113.13(10) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 122.94(16) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.34(16) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.07(16) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.72(16) . . ?
C5 C4 H4 119.6 . . ?
N1 C5 C4 119.29(15) . . ?
N1 C5 C6 113.06(14) . . ?
C4 C5 C6 127.36(15) . . ?
C7 C6 C5 124.69(14) . . ?
C15 C6 C5 113.71(14) . . ?
C15 C6 C7 121.53(14) . . ?
C8 C7 C6 125.22(15) . . ?
C8 C7 C12 116.53(15) . . ?
C12 C7 C6 118.17(14) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 C7 121.61(17) . . ?
C9 C8 H8 119.2 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.22(17) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.82(17) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.34(17) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C7 120.26(15) . . ?
C13 C12 C7 119.54(14) . . ?
C13 C12 C11 120.13(15) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.70(15) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 118.8 . . ?
C13 C14 C15 122.43(15) . . ?
C15 C14 H14 118.8 . . ?
C6 C15 Pt1 116.66(11) . . ?
C6 C15 C14 117.39(14) . . ?
C14 C15 Pt1 124.38(12) . . ?
N2 C16 H16 118.3 . . ?
N2 C16 C17 123.39(16) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.23(16) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 H18 120.5 . . ?
C17 C18 C19 118.92(16) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.42(16) . . ?
C20 C19 H19 119.8 . . ?
N2 C20 C19 120.04(15) . . ?
N2 C20 C21 113.83(14) . . ?
C19 C20 C21 125.88(15) . . ?
C22 C21 C20 123.82(14) . . ?
C30 C21 C20 113.87(14) . . ?
C30 C21 C22 122.21(15) . . ?
C23 C22 C21 125.04(15) . . ?
C23 C22 C27 116.85(15) . . ?
C27 C22 C21 117.83(14) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.34(16) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 119.4 . . ?
C23 C24 C25 121.16(17) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 119.07(17) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.29(16) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C22 120.23(15) . . ?
C28 C27 C22 119.21(15) . . ?
C28 C27 C26 120.34(15) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 121.01(15) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 H29 118.9 . . ?
C28 C29 C30 122.18(15) . . ?
C30 C29 H29 118.9 . . ?
C21 C30 Pt1 115.89(11) . . ?
C21 C30 C29 116.77(14) . . ?
C29 C30 Pt1 126.12(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -161.31(13) . . . . ?
Pt1 N1 C5 C4 160.73(12) . . . . ?
Pt1 N1 C5 C6 -13.54(17) . . . . ?
Pt1 N2 C16 C17 -158.59(13) . . . . ?
Pt1 N2 C20 C19 156.96(13) . . . . ?
Pt1 N2 C20 C21 -17.54(17) . . . . ?
N1 C1 C2 C3 2.1(3) . . . . ?
N1 C5 C6 C7 -160.17(15) . . . . ?
N1 C5 C6 C15 16.8(2) . . . . ?
N2 C16 C17 C18 3.6(3) . . . . ?
N2 C20 C21 C22 -154.33(15) . . . . ?
N2 C20 C21 C30 22.1(2) . . . . ?
C1 N1 C5 C4 -0.8(2) . . . . ?
C1 N1 C5 C6 -175.07(14) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C2 C3 C4 C5 -1.1(3) . . . . ?
C3 C4 C5 N1 1.9(2) . . . . ?
C3 C4 C5 C6 175.30(16) . . . . ?
C4 C5 C6 C7 26.1(3) . . . . ?
C4 C5 C6 C15 -156.93(16) . . . . ?
C5 N1 C1 C2 -1.2(2) . . . . ?
C5 C6 C7 C8 5.4(3) . . . . ?
C5 C6 C7 C12 -178.02(15) . . . . ?
C5 C6 C15 Pt1 -12.40(18) . . . . ?
C5 C6 C15 C14 -178.74(14) . . . . ?
C6 C7 C8 C9 -179.41(17) . . . . ?
C6 C7 C12 C11 178.45(16) . . . . ?
C6 C7 C12 C13 -4.8(2) . . . . ?
C7 C6 C15 Pt1 164.65(12) . . . . ?
C7 C6 C15 C14 -1.7(2) . . . . ?
C7 C8 C9 C10 -0.1(3) . . . . ?
C7 C12 C13 C14 0.9(3) . . . . ?
C8 C7 C12 C11 -4.7(2) . . . . ?
C8 C7 C12 C13 172.03(15) . . . . ?
C8 C9 C10 C11 -3.2(3) . . . . ?
C9 C10 C11 C12 2.4(3) . . . . ?
C10 C11 C12 C7 1.6(3) . . . . ?
C10 C11 C12 C13 -175.09(17) . . . . ?
C11 C12 C13 C14 177.65(17) . . . . ?
C12 C7 C8 C9 4.0(2) . . . . ?
C12 C13 C14 C15 2.8(3) . . . . ?
C13 C14 C15 Pt1 -167.64(13) . . . . ?
C13 C14 C15 C6 -2.5(2) . . . . ?
C15 C6 C7 C8 -171.31(16) . . . . ?
C15 C6 C7 C12 5.3(2) . . . . ?
C16 N2 C20 C19 -3.4(2) . . . . ?
C16 N2 C20 C21 -177.91(14) . . . . ?
C16 C17 C18 C19 -2.4(3) . . . . ?
C17 C18 C19 C20 -1.5(3) . . . . ?
C18 C19 C20 N2 4.5(3) . . . . ?
C18 C19 C20 C21 178.32(16) . . . . ?
C19 C20 C21 C22 31.5(3) . . . . ?
C19 C20 C21 C30 -152.01(17) . . . . ?
C20 N2 C16 C17 -0.7(2) . . . . ?
C20 C21 C22 C23 11.5(3) . . . . ?
C20 C21 C22 C27 -174.70(15) . . . . ?
C20 C21 C30 Pt1 -16.02(18) . . . . ?
C20 C21 C30 C29 175.77(14) . . . . ?
C21 C22 C23 C24 175.91(18) . . . . ?
C21 C22 C27 C26 -177.21(15) . . . . ?
C21 C22 C27 C28 -2.7(2) . . . . ?
C22 C21 C30 Pt1 160.49(12) . . . . ?
C22 C21 C30 C29 -7.7(2) . . . . ?
C22 C23 C24 C25 0.1(3) . . . . ?
C22 C27 C28 C29 -4.9(2) . . . . ?
C23 C22 C27 C26 -2.9(2) . . . . ?
C23 C22 C27 C28 171.58(16) . . . . ?
C23 C24 C25 C26 -1.5(3) . . . . ?
C24 C25 C26 C27 0.6(3) . . . . ?
C25 C26 C27 C22 1.6(3) . . . . ?
C25 C26 C27 C28 -172.82(18) . . . . ?
C26 C27 C28 C29 169.63(16) . . . . ?
C27 C22 C23 C24 2.1(3) . . . . ?
C27 C28 C29 C30 6.5(3) . . . . ?
C28 C29 C30 Pt1 -167.02(13) . . . . ?
C28 C29 C30 C21 -0.2(2) . . . . ?
C30 C21 C22 C23 -164.61(17) . . . . ?
C30 C21 C22 C27 9.1(2) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id NAPPtII55
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_mm607_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2357024'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H20 Cl2 N2 Pt, C H2 Cl2'
_chemical_formula_sum            'C31 H22 Cl4 N2 Pt'
_chemical_formula_weight         759.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.290(3)
_cell_length_b                   7.4428(10)
_cell_length_c                   21.746(3)
_cell_angle_alpha                90
_cell_angle_beta                 114.056(4)
_cell_angle_gamma                90
_cell_volume                     2703.2(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9991
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.303
_exptl_absorpt_coefficient_mu    5.611
_exptl_absorpt_correction_T_max  0.7448
_exptl_absorpt_correction_T_min  0.5248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1012 before and 0.0741 after correction.
The Ratio of minimum to maximum transmission is 0.7046.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1472
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23667
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        22.487
_diffrn_reflns_theta_max         22.487
_diffrn_reflns_theta_min         1.025
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3154
_reflns_number_total             3642
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.064
_refine_diff_density_min         -3.663
_refine_diff_density_rms         0.457
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.298
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         3642
_refine_ls_number_restraints     558
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0782
_refine_ls_restrained_S_all      1.204
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+147.7143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1605
_refine_ls_wR_factor_ref         0.1682
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9832(9)
 0.0168(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5.a Secondary CH2 refined with riding coordinates:
 C41(H41A,H41B)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.58674(4) 0.70786(10) 0.84401(4) 0.0140(3) Uani 1 1 d . U . . .
Cl1 Cl 0.7113(3) 0.5363(6) 0.8797(2) 0.0184(11) Uani 1 1 d . . . . .
Cl2 Cl 0.6408(3) 0.8767(7) 0.9493(2) 0.0200(11) Uani 1 1 d . . . . .
N1 N 0.6308(9) 0.871(2) 0.7936(8) 0.0166(18) Uani 1 1 d . U . . .
N2 N 0.5329(9) 0.543(2) 0.8875(8) 0.0171(19) Uani 1 1 d . U . . .
C1 C 0.6582(11) 1.038(3) 0.8147(10) 0.018(3) Uani 1 1 d . U . . .
H1 H 0.664002 1.076252 0.858099 0.021 Uiso 1 1 calc R U . . .
C2 C 0.6785(12) 1.156(3) 0.7734(10) 0.021(3) Uani 1 1 d . U . . .
H2 H 0.698461 1.273418 0.788618 0.025 Uiso 1 1 calc R U . . .
C3 C 0.6685(11) 1.098(3) 0.7113(10) 0.019(3) Uani 1 1 d . U . . .
H3 H 0.680453 1.175790 0.682076 0.023 Uiso 1 1 calc R U . . .
C4 C 0.6410(11) 0.925(3) 0.6902(10) 0.019(3) Uani 1 1 d . U . . .
H4 H 0.637133 0.883316 0.647727 0.022 Uiso 1 1 calc R U . . .
C5 C 0.6199(11) 0.818(2) 0.7296(9) 0.015(3) Uani 1 1 d . U . . .
C6 C 0.5836(11) 0.633(3) 0.7124(9) 0.015(2) Uani 1 1 d . U . . .
C7 C 0.5732(12) 0.527(3) 0.6547(9) 0.017(3) Uani 1 1 d . U . . .
C8 C 0.6203(12) 0.548(3) 0.6183(10) 0.019(3) Uani 1 1 d . U . . .
H8 H 0.660910 0.636942 0.631125 0.023 Uiso 1 1 calc R U . . .
C9 C 0.6080(14) 0.438(3) 0.5638(11) 0.028(4) Uani 1 1 d . U . . .
H9 H 0.640137 0.455083 0.539231 0.034 Uiso 1 1 calc R U . . .
C10 C 0.5498(12) 0.302(3) 0.5435(10) 0.026(4) Uani 1 1 d . U . . .
H10 H 0.542062 0.229947 0.505376 0.031 Uiso 1 1 calc R U . . .
C11 C 0.5042(12) 0.276(3) 0.5792(9) 0.022(3) Uani 1 1 d . U . . .
H11 H 0.464582 0.184595 0.566031 0.027 Uiso 1 1 calc R U . . .
C12 C 0.5162(11) 0.386(3) 0.6366(9) 0.017(3) Uani 1 1 d . U . . .
C13 C 0.4722(11) 0.346(2) 0.6777(9) 0.015(3) Uani 1 1 d . U . . .
H13 H 0.430956 0.258401 0.663337 0.018 Uiso 1 1 calc R U . . .
C14 C 0.4905(12) 0.435(3) 0.7362(10) 0.022(4) Uani 1 1 d . U . . .
H14 H 0.465795 0.400689 0.765298 0.027 Uiso 1 1 calc R U . . .
C15 C 0.5464(11) 0.578(2) 0.7544(9) 0.017(2) Uani 1 1 d . U . . .
C16 C 0.5589(12) 0.385(3) 0.9128(10) 0.021(3) Uani 1 1 d . U . . .
H16 H 0.610124 0.348917 0.916116 0.025 Uiso 1 1 calc R U . . .
C17 C 0.5162(11) 0.267(3) 0.9349(10) 0.021(3) Uani 1 1 d . U . . .
H17 H 0.537092 0.152587 0.952617 0.025 Uiso 1 1 calc R U . . .
C18 C 0.4422(12) 0.323(3) 0.9303(9) 0.020(3) Uani 1 1 d . U . . .
H18 H 0.410828 0.245619 0.944484 0.024 Uiso 1 1 calc R U . . .
C19 C 0.4134(12) 0.492(3) 0.9050(9) 0.017(3) Uani 1 1 d . U . . .
H19 H 0.362387 0.529887 0.901826 0.021 Uiso 1 1 calc R U . . .
C20 C 0.4594(11) 0.606(3) 0.8842(10) 0.018(3) Uani 1 1 d . U . . .
C21 C 0.4352(11) 0.785(3) 0.8509(9) 0.017(3) Uani 1 1 d . U . . .
C22 C 0.3667(11) 0.884(2) 0.8447(9) 0.015(3) Uani 1 1 d . U . . .
C23 C 0.3255(11) 0.868(3) 0.8875(10) 0.018(3) Uani 1 1 d . U . . .
H23 H 0.344336 0.784447 0.923683 0.021 Uiso 1 1 calc R U . . .
C24 C 0.2584(12) 0.970(3) 0.8777(10) 0.021(3) Uani 1 1 d . U . . .
H24 H 0.231078 0.954183 0.906226 0.025 Uiso 1 1 calc R U . . .
C25 C 0.2308(12) 1.098(3) 0.8260(10) 0.023(4) Uani 1 1 d . U . . .
H25 H 0.182907 1.162528 0.817588 0.028 Uiso 1 1 calc R U . . .
C26 C 0.2736(11) 1.129(3) 0.7871(10) 0.020(3) Uani 1 1 d . U . . .
H26 H 0.256115 1.219404 0.753563 0.024 Uiso 1 1 calc R U . . .
C27 C 0.3419(11) 1.029(2) 0.7964(9) 0.014(3) Uani 1 1 d . U . . .
C28 C 0.3858(11) 1.065(3) 0.7582(10) 0.020(3) Uani 1 1 d . U . . .
H28 H 0.365796 1.150471 0.722702 0.023 Uiso 1 1 calc R U . . .
C29 C 0.4574(11) 0.980(3) 0.7705(10) 0.020(3) Uani 1 1 d . U . . .
H29 H 0.489658 1.018592 0.748060 0.024 Uiso 1 1 calc R U . . .
C30 C 0.4826(11) 0.837(2) 0.8169(9) 0.0174(19) Uani 1 1 d . U . . .
Cl3 Cl 0.4078(3) 0.7980(9) 0.6038(3) 0.0342(13) Uani 1 1 d . U . . .
Cl4 Cl 0.2808(4) 1.0681(8) 0.5656(3) 0.0417(16) Uani 1 1 d . U . . .
C41 C 0.3135(14) 0.864(3) 0.5413(12) 0.043(7) Uani 1 1 d . U . . .
H41A H 0.273706 0.767620 0.535220 0.052 Uiso 1 1 calc R U . . .
H41B H 0.318009 0.881364 0.497845 0.052 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.445(5) . ?
Pt1 Cl2 2.440(5) . ?
Pt1 N1 2.012(16) . ?
Pt1 N2 2.031(16) . ?
Pt1 C15 2.026(19) . ?
Pt1 C30 1.995(19) . ?
N1 C1 1.35(3) . ?
N1 C5 1.38(2) . ?
N2 C16 1.30(3) . ?
N2 C20 1.40(2) . ?
C1 H1 0.9500 . ?
C1 C2 1.41(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.36(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.39(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.34(3) . ?
C5 C6 1.51(3) . ?
C6 C7 1.43(3) . ?
C6 C15 1.40(3) . ?
C7 C8 1.40(3) . ?
C7 C12 1.42(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.38(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.40(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.36(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.43(3) . ?
C12 C13 1.45(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.35(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.42(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.39(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.38(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.39(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.39(3) . ?
C20 C21 1.49(3) . ?
C21 C22 1.41(3) . ?
C21 C30 1.40(3) . ?
C22 C23 1.42(3) . ?
C22 C27 1.44(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.39(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.40(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.39(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.40(3) . ?
C27 C28 1.40(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.38(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.41(3) . ?
Cl3 C41 1.77(2) . ?
Cl4 C41 1.79(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 90.11(16) . . ?
N1 Pt1 Cl1 87.8(4) . . ?
N1 Pt1 Cl2 95.8(5) . . ?
N1 Pt1 N2 174.9(6) . . ?
N1 Pt1 C15 80.4(7) . . ?
N2 Pt1 Cl1 95.9(5) . . ?
N2 Pt1 Cl2 87.8(4) . . ?
C15 Pt1 Cl1 89.0(5) . . ?
C15 Pt1 Cl2 176.2(6) . . ?
C15 Pt1 N2 96.0(7) . . ?
C30 Pt1 Cl1 176.7(6) . . ?
C30 Pt1 Cl2 90.2(5) . . ?
C30 Pt1 N1 95.4(7) . . ?
C30 Pt1 N2 80.8(7) . . ?
C30 Pt1 C15 90.9(7) . . ?
C1 N1 Pt1 123.2(13) . . ?
C1 N1 C5 119.3(16) . . ?
C5 N1 Pt1 116.7(12) . . ?
C16 N2 Pt1 125.2(14) . . ?
C16 N2 C20 120.2(17) . . ?
C20 N2 Pt1 114.4(12) . . ?
N1 C1 H1 119.4 . . ?
N1 C1 C2 121.2(18) . . ?
C2 C1 H1 119.4 . . ?
C1 C2 H2 121.1 . . ?
C3 C2 C1 117.9(19) . . ?
C3 C2 H2 121.1 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(19) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.2(19) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C6 112.3(16) . . ?
C4 C5 N1 120.7(18) . . ?
C4 C5 C6 127.0(18) . . ?
C7 C6 C5 127.4(17) . . ?
C15 C6 C5 112.8(17) . . ?
C15 C6 C7 119.1(18) . . ?
C8 C7 C6 123.2(18) . . ?
C8 C7 C12 118.5(18) . . ?
C12 C7 C6 118.1(18) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120(2) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 118.9 . . ?
C8 C9 C10 122(2) . . ?
C10 C9 H9 118.9 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119(2) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120(2) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 119.9(18) . . ?
C7 C12 C13 120.6(17) . . ?
C11 C12 C13 119.5(18) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(18) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.3(19) . . ?
C15 C14 H14 119.9 . . ?
C6 C15 Pt1 113.8(14) . . ?
C6 C15 C14 121.5(18) . . ?
C14 C15 Pt1 124.5(14) . . ?
N2 C16 H16 118.0 . . ?
N2 C16 C17 124.0(19) . . ?
C17 C16 H16 118.0 . . ?
C16 C17 H17 121.4 . . ?
C18 C17 C16 117.2(19) . . ?
C18 C17 H17 121.4 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.3(19) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(19) . . ?
C20 C19 H19 120.0 . . ?
N2 C20 C21 114.4(16) . . ?
C19 C20 N2 118.2(17) . . ?
C19 C20 C21 127.0(18) . . ?
C22 C21 C20 126.1(17) . . ?
C30 C21 C20 112.0(17) . . ?
C30 C21 C22 121.3(18) . . ?
C21 C22 C23 125.3(18) . . ?
C21 C22 C27 117.7(17) . . ?
C23 C22 C27 116.6(17) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 C22 121.6(19) . . ?
C24 C23 H23 119.2 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.3(19) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.6(19) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(19) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C22 120.0(17) . . ?
C26 C27 C28 120.6(18) . . ?
C28 C27 C22 119.4(17) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 C27 121.8(19) . . ?
C29 C28 H28 119.1 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.6(19) . . ?
C30 C29 H29 120.2 . . ?
C21 C30 Pt1 115.7(14) . . ?
C21 C30 C29 119.5(17) . . ?
C29 C30 Pt1 124.7(14) . . ?
Cl3 C41 Cl4 110.1(13) . . ?
Cl3 C41 H41A 109.6 . . ?
Cl3 C41 H41B 109.6 . . ?
Cl4 C41 H41A 109.6 . . ?
Cl4 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -171.4(14) . . . . ?
Pt1 N1 C5 C4 174.1(14) . . . . ?
Pt1 N1 C5 C6 -6.0(19) . . . . ?
Pt1 N2 C16 C17 -172.1(15) . . . . ?
Pt1 N2 C20 C19 171.9(14) . . . . ?
Pt1 N2 C20 C21 -1(2) . . . . ?
N1 C1 C2 C3 1(3) . . . . ?
N1 C5 C6 C7 -171.8(18) . . . . ?
N1 C5 C6 C15 18(2) . . . . ?
N2 C16 C17 C18 -1(3) . . . . ?
N2 C20 C21 C22 -175.6(17) . . . . ?
N2 C20 C21 C30 13(2) . . . . ?
C1 N1 C5 C4 4(3) . . . . ?
C1 N1 C5 C6 -176.0(15) . . . . ?
C1 C2 C3 C4 -1(3) . . . . ?
C2 C3 C4 C5 4(3) . . . . ?
C3 C4 C5 N1 -5(3) . . . . ?
C3 C4 C5 C6 175.3(17) . . . . ?
C4 C5 C6 C7 8(3) . . . . ?
C4 C5 C6 C15 -161.8(19) . . . . ?
C5 N1 C1 C2 -2(3) . . . . ?
C5 C6 C7 C8 25(3) . . . . ?
C5 C6 C7 C12 -160.1(17) . . . . ?
C5 C6 C15 Pt1 -22.3(19) . . . . ?
C5 C6 C15 C14 162.3(17) . . . . ?
C6 C7 C8 C9 178.6(19) . . . . ?
C6 C7 C12 C11 -179.6(17) . . . . ?
C6 C7 C12 C13 -2(3) . . . . ?
C7 C6 C15 Pt1 166.9(13) . . . . ?
C7 C6 C15 C14 -8(3) . . . . ?
C7 C8 C9 C10 -1(3) . . . . ?
C7 C12 C13 C14 -5(3) . . . . ?
C8 C7 C12 C11 -4(3) . . . . ?
C8 C7 C12 C13 172.8(17) . . . . ?
C8 C9 C10 C11 -1(3) . . . . ?
C9 C10 C11 C12 0(3) . . . . ?
C10 C11 C12 C7 3(3) . . . . ?
C10 C11 C12 C13 -174.6(18) . . . . ?
C11 C12 C13 C14 171.7(18) . . . . ?
C12 C7 C8 C9 4(3) . . . . ?
C12 C13 C14 C15 6(3) . . . . ?
C13 C14 C15 Pt1 -174.4(14) . . . . ?
C13 C14 C15 C6 1(3) . . . . ?
C15 C6 C7 C8 -165.9(18) . . . . ?
C15 C6 C7 C12 9(3) . . . . ?
C16 N2 C20 C19 -3(3) . . . . ?
C16 N2 C20 C21 -176.9(17) . . . . ?
C16 C17 C18 C19 -1(3) . . . . ?
C17 C18 C19 C20 0(3) . . . . ?
C18 C19 C20 N2 2(3) . . . . ?
C18 C19 C20 C21 174.6(18) . . . . ?
C19 C20 C21 C22 12(3) . . . . ?
C19 C20 C21 C30 -160.1(19) . . . . ?
C20 N2 C16 C17 3(3) . . . . ?
C20 C21 C22 C23 24(3) . . . . ?
C20 C21 C22 C27 -164.0(17) . . . . ?
C20 C21 C30 Pt1 -18(2) . . . . ?
C20 C21 C30 C29 166.0(17) . . . . ?
C21 C22 C23 C24 -179.7(18) . . . . ?
C21 C22 C27 C26 178.5(17) . . . . ?
C21 C22 C27 C28 0(3) . . . . ?
C22 C21 C30 Pt1 169.5(14) . . . . ?
C22 C21 C30 C29 -6(3) . . . . ?
C22 C23 C24 C25 -2(3) . . . . ?
C22 C27 C28 C29 -7(3) . . . . ?
C23 C22 C27 C26 -8(3) . . . . ?
C23 C22 C27 C28 172.7(17) . . . . ?
C23 C24 C25 C26 -4(3) . . . . ?
C24 C25 C26 C27 3(3) . . . . ?
C25 C26 C27 C22 3(3) . . . . ?
C25 C26 C27 C28 -178.0(19) . . . . ?
C26 C27 C28 C29 173.8(18) . . . . ?
C27 C22 C23 C24 8(3) . . . . ?
C27 C28 C29 C30 8(3) . . . . ?
C28 C29 C30 Pt1 -176.8(15) . . . . ?
C28 C29 C30 C21 -2(3) . . . . ?
C30 C21 C22 C23 -165.4(18) . . . . ?
C30 C21 C22 C27 7(3) . . . . ?

# start Validation Reply Form
_vrf_THETM01_mo_mm607_0m_a       
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: There was little scattering beyond 0.93 A
;
_vrf_PLAT213_mo_mm607_0m_a       
;
PROBLEM: Atom C13             has ADP max/min Ratio .....       10.0 oblate
RESPONSE: Fairly strong restraints were employed on the data in order to 
eliminate all non-positive definte ADPs.  There are still a few with very
flat ADPs, but I chose to stop adjusting the restraints once all NDPs were
resolved.
;
_vrf_PLAT342_mo_mm607_0m_a       
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02969 Ang.  
RESPONSE: The data from this crystal was weakly scattering, this is the likely
reason for the low bond precision.
;
# end Validation Reply Form

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id NAPPtIV55
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9832(9)
2 0.0168(9)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm589_2
_database_code_depnum_ccdc_archive 'CCDC 2357025'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H24 Cl2 N2 Pt'
_chemical_formula_sum            'C38 H24 Cl2 N2 Pt'
_chemical_formula_weight         774.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.9481(7)
_cell_length_b                   8.4291(4)
_cell_length_c                   21.4418(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2701.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.737
_shelx_estimated_absorpt_T_min   0.204
_exptl_absorpt_coefficient_mu    5.426
_exptl_absorpt_correction_T_max  0.722
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0966 before and 0.0451 after correction.
The ratio of minimum to maximum transmission is 0.6968.
The λ/2 correction factor is not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1512
_exptl_crystal_recrystallization_method 
'The material was recrystallised from --- by slow evaporation'
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27983
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.565
_diffrn_reflns_theta_min         1.900
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3066
_reflns_number_total             4115
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         3.939
_refine_diff_density_min         -1.528
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         4115
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+18.6924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0876
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C17(H17), C18(H18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.500000 0.90370(2) 0.750000 0.01578(7) Uani 1 2 d S T P . .
Cl1 Cl 0.47418(7) 1.11337(14) 0.82659(5) 0.0258(2) Uani 1 1 d . . . . .
N1 N 0.6339(2) 0.8905(4) 0.76367(17) 0.0194(7) Uani 1 1 d . . . . .
C1 C 0.6742(3) 0.9626(5) 0.8118(2) 0.0222(8) Uani 1 1 d . . . . .
H1 H 0.639673 1.024838 0.839852 0.027 Uiso 1 1 calc R U . . .
C2 C 0.7648(3) 0.9477(5) 0.8211(2) 0.0221(8) Uani 1 1 d . . . . .
H2 H 0.792408 0.997800 0.855792 0.026 Uiso 1 1 calc R U . . .
C3 C 0.8152(3) 0.8600(6) 0.7801(2) 0.0263(9) Uani 1 1 d . . . . .
H3 H 0.878122 0.851344 0.785262 0.032 Uiso 1 1 calc R U . . .
C4 C 0.7727(3) 0.7850(6) 0.7314(2) 0.0257(9) Uani 1 1 d . . . . .
H4 H 0.807049 0.723026 0.703263 0.031 Uiso 1 1 calc R U . . .
C5 C 0.6807(3) 0.7973(5) 0.7222(2) 0.0197(8) Uani 1 1 d . . . . .
C6 C 0.6234(3) 0.7144(5) 0.67727(19) 0.0190(8) Uani 1 1 d . . . . .
C7 C 0.6527(3) 0.6113(5) 0.62704(19) 0.0199(8) Uani 1 1 d . . . . .
C8 C 0.7410(3) 0.5930(6) 0.6066(2) 0.0235(9) Uani 1 1 d . . . . .
H8 H 0.787002 0.649984 0.627427 0.028 Uiso 1 1 calc R U . . .
C9 C 0.7644(3) 0.4943(6) 0.5567(2) 0.0234(8) Uani 1 1 d . . . . .
C10 C 0.8551(3) 0.4791(7) 0.5366(2) 0.0306(10) Uani 1 1 d . . . . .
H10 H 0.900632 0.532644 0.559142 0.037 Uiso 1 1 calc R U . . .
C11 C 0.8783(4) 0.3901(6) 0.4860(2) 0.0326(11) Uani 1 1 d . . . . .
H11 H 0.938901 0.383742 0.473036 0.039 Uiso 1 1 calc R U . . .
C12 C 0.8108(4) 0.3077(6) 0.4533(2) 0.0312(10) Uani 1 1 d . . . . .
H12 H 0.826827 0.243721 0.418611 0.037 Uiso 1 1 calc R U . . .
C13 C 0.7233(3) 0.3178(6) 0.4704(2) 0.0293(10) Uani 1 1 d . . . . .
H13 H 0.679097 0.262561 0.447169 0.035 Uiso 1 1 calc R U . . .
C14 C 0.6977(3) 0.4102(5) 0.5228(2) 0.0235(9) Uani 1 1 d . . . . .
C15 C 0.6089(3) 0.4263(6) 0.5436(2) 0.0272(9) Uani 1 1 d . . . . .
H15 H 0.563133 0.368352 0.522862 0.033 Uiso 1 1 calc R U . . .
C16 C 0.5856(3) 0.5239(5) 0.5933(2) 0.0240(9) Uani 1 1 d . . . . .
C17 C 0.4945(3) 0.5440(6) 0.6090(2) 0.0263(9) Uani 1 1 d . . . . .
H17 H 0.450675 0.481124 0.588486 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4678(3) 0.6515(6) 0.6527(2) 0.0257(9) Uani 1 1 d . . . . .
H18 H 0.405885 0.668650 0.660214 0.031 Uiso 1 1 calc R U . . .
C19 C 0.5320(3) 0.7364(5) 0.6865(2) 0.0209(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.4432(11) 3_656 ?
Pt1 Cl1 2.4432(11) . ?
Pt1 N1 2.026(3) 3_656 ?
Pt1 N1 2.026(3) . ?
Pt1 C19 2.017(5) 3_656 ?
Pt1 C19 2.017(5) . ?
N1 C1 1.341(6) . ?
N1 C5 1.376(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.374(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.374(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.393(6) . ?
C5 C6 1.467(6) . ?
C6 C7 1.452(6) . ?
C6 C19 1.393(5) . ?
C7 C8 1.400(6) . ?
C7 C16 1.440(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.401(6) . ?
C9 C10 1.428(6) . ?
C9 C14 1.422(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.362(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.411(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.361(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.420(6) . ?
C14 C15 1.406(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(6) . ?
C16 C17 1.413(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.364(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.399(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pt1 Cl1 87.33(6) . 3_656 ?
N1 Pt1 Cl1 88.91(10) . 3_656 ?
N1 Pt1 Cl1 95.66(11) . . ?
N1 Pt1 Cl1 95.66(11) 3_656 3_656 ?
N1 Pt1 Cl1 88.91(10) 3_656 . ?
N1 Pt1 N1 173.7(2) 3_656 . ?
C19 Pt1 Cl1 90.83(13) 3_656 . ?
C19 Pt1 Cl1 175.26(12) 3_656 3_656 ?
C19 Pt1 Cl1 175.26(12) . . ?
C19 Pt1 Cl1 90.83(13) . 3_656 ?
C19 Pt1 N1 95.62(15) 3_656 . ?
C19 Pt1 N1 79.92(16) . . ?
C19 Pt1 N1 95.62(15) . 3_656 ?
C19 Pt1 N1 79.92(16) 3_656 3_656 ?
C19 Pt1 C19 91.3(2) . 3_656 ?
C1 N1 Pt1 122.0(3) . . ?
C1 N1 C5 121.9(4) . . ?
C5 N1 Pt1 116.1(3) . . ?
N1 C1 H1 119.6 . . ?
N1 C1 C2 120.8(4) . . ?
C2 C1 H1 119.6 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.8(4) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.6(4) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 H4 119.0 . . ?
C3 C4 C5 122.0(4) . . ?
C5 C4 H4 119.0 . . ?
N1 C5 C4 116.9(4) . . ?
N1 C5 C6 113.5(4) . . ?
C4 C5 C6 129.4(4) . . ?
C7 C6 C5 126.6(4) . . ?
C19 C6 C5 114.6(4) . . ?
C19 C6 C7 118.8(4) . . ?
C8 C7 C6 125.6(4) . . ?
C8 C7 C16 116.3(4) . . ?
C16 C7 C6 118.0(4) . . ?
C7 C8 H8 118.7 . . ?
C7 C8 C9 122.7(4) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 C10 121.4(4) . . ?
C8 C9 C14 120.8(4) . . ?
C14 C9 C10 117.8(4) . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 122.1(5) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 H11 120.5 . . ?
C10 C11 C12 119.0(5) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.5(5) . . ?
C13 C12 H12 119.3 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.5(5) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 119.2(4) . . ?
C15 C14 C9 116.9(4) . . ?
C15 C14 C13 123.9(4) . . ?
C14 C15 H15 118.8 . . ?
C16 C15 C14 122.3(4) . . ?
C16 C15 H15 118.8 . . ?
C15 C16 C7 120.9(4) . . ?
C15 C16 C17 119.6(4) . . ?
C17 C16 C7 119.4(4) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 C16 121.7(4) . . ?
C18 C17 H17 119.1 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.7(4) . . ?
C19 C18 H18 120.2 . . ?
C6 C19 Pt1 114.9(3) . . ?
C6 C19 C18 122.1(4) . . ?
C18 C19 Pt1 123.0(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 178.0(3) . . . . ?
Pt1 N1 C5 C4 -179.1(3) . . . . ?
Pt1 N1 C5 C6 -3.9(5) . . . . ?
N1 C1 C2 C3 1.1(7) . . . . ?
N1 C5 C6 C7 178.4(4) . . . . ?
N1 C5 C6 C19 -3.7(5) . . . . ?
C1 N1 C5 C4 -1.9(6) . . . . ?
C1 N1 C5 C6 173.4(4) . . . . ?
C1 C2 C3 C4 -1.9(7) . . . . ?
C2 C3 C4 C5 0.9(8) . . . . ?
C3 C4 C5 N1 1.0(7) . . . . ?
C3 C4 C5 C6 -173.4(5) . . . . ?
C4 C5 C6 C7 -7.1(7) . . . . ?
C4 C5 C6 C19 170.8(5) . . . . ?
C5 N1 C1 C2 0.9(7) . . . . ?
C5 C6 C7 C8 -10.9(7) . . . . ?
C5 C6 C7 C16 171.6(4) . . . . ?
C5 C6 C19 Pt1 9.5(5) . . . . ?
C5 C6 C19 C18 -172.3(4) . . . . ?
C6 C7 C8 C9 -178.3(4) . . . . ?
C6 C7 C16 C15 178.2(4) . . . . ?
C6 C7 C16 C17 1.5(6) . . . . ?
C7 C6 C19 Pt1 -172.4(3) . . . . ?
C7 C6 C19 C18 5.9(7) . . . . ?
C7 C8 C9 C10 179.5(4) . . . . ?
C7 C8 C9 C14 1.9(7) . . . . ?
C7 C16 C17 C18 4.1(7) . . . . ?
C8 C7 C16 C15 0.5(7) . . . . ?
C8 C7 C16 C17 -176.2(4) . . . . ?
C8 C9 C10 C11 -176.5(5) . . . . ?
C8 C9 C14 C13 176.7(4) . . . . ?
C8 C9 C14 C15 -2.5(7) . . . . ?
C9 C10 C11 C12 -1.4(8) . . . . ?
C9 C14 C15 C16 2.3(7) . . . . ?
C10 C9 C14 C13 -1.0(7) . . . . ?
C10 C9 C14 C15 179.7(4) . . . . ?
C10 C11 C12 C13 1.3(8) . . . . ?
C11 C12 C13 C14 -1.1(8) . . . . ?
C12 C13 C14 C9 1.0(7) . . . . ?
C12 C13 C14 C15 -179.8(5) . . . . ?
C13 C14 C15 C16 -176.9(5) . . . . ?
C14 C9 C10 C11 1.3(7) . . . . ?
C14 C15 C16 C7 -1.4(7) . . . . ?
C14 C15 C16 C17 175.3(5) . . . . ?
C15 C16 C17 C18 -172.7(5) . . . . ?
C16 C7 C8 C9 -0.8(7) . . . . ?
C16 C17 C18 C19 -4.7(8) . . . . ?
C17 C18 C19 Pt1 177.7(4) . . . . ?
C17 C18 C19 C6 -0.4(7) . . . . ?
C19 C6 C7 C8 171.2(4) . . . . ?
C19 C6 C7 C16 -6.3(6) . . . . ?

# start Validation Reply Form
_vrf_PLAT410_mm589_2             
;
PROBLEM: Short Intra H...H Contact  H4       ..H8       .       1.76 Ang.  
RESPONSE: The nature of the ligand and its coordination to Pt results in a 
shorter than normal distance between these two H atoms.
;
_vrf_PLAT971_mm589_2             
;
PROBLEM: Check Calcd Resid. Dens.  0.77Ang From Pt1             3.99 eA-3  
RESPONSE: This peak is adjacent the Pt atom.
;
# end Validation Reply Form

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm582
_database_code_depnum_ccdc_archive 'CCDC 2357027'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H24 N2 Pt'
_chemical_formula_sum            'C38 H24 N2 Pt'
_chemical_formula_weight         703.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.067(3)
_cell_length_b                   7.9171(12)
_cell_length_c                   19.976(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.319(4)
_cell_angle_gamma                90
_cell_volume                     2646.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9849
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.06
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.856
_shelx_estimated_absorpt_T_min   0.280
_exptl_absorpt_coefficient_mu    5.334
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1292 before and 0.0763 after correction.
The ratio of minimum to maximum transmission is 0.4281.
The λ/2 correction factor is not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blade
_exptl_crystal_F_000             1376
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0780
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41827
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.102
_diffrn_reflns_theta_min         2.079
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4853
_reflns_number_total             6347
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         4.582
_refine_diff_density_min         -2.144
_refine_diff_density_rms         0.229
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0509
_refine_ls_restrained_S_all      1.159
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0226P)²+38.2889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1211
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C17(H17), C18(H18), C20(H20), C22(H22), C23(H23), C27(H27),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C36(H36), C37(H37)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.54013(2) 0.78683(4) 0.32487(2) 0.01981(9) Uani 1 1 d . . . . .
N1 N 0.6547(4) 0.8108(9) 0.2992(3) 0.0214(14) Uani 1 1 d . . . . .
N2 N 0.4611(4) 0.8022(8) 0.2304(3) 0.0196(13) Uani 1 1 d . . . . .
C1 C 0.6696(6) 0.9031(11) 0.2462(4) 0.0276(18) Uani 1 1 d . . . . .
H1 H 0.626794 0.925484 0.209065 0.033 Uiso 1 1 calc R U . . .
C2 C 0.7447(6) 0.9667(11) 0.2434(4) 0.030(2) Uani 1 1 d . . . . .
H2 H 0.753641 1.025908 0.204219 0.036 Uiso 1 1 calc R U . . .
C3 C 0.8063(5) 0.9422(12) 0.2988(4) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.857866 0.987403 0.298879 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7915(5) 0.8500(12) 0.3545(4) 0.0270(17) Uani 1 1 d . . . . .
H4 H 0.832843 0.834773 0.393431 0.032 Uiso 1 1 calc R U . . .
C5 C 0.7161(5) 0.7799(11) 0.3531(3) 0.0214(15) Uani 1 1 d . . . . .
C6 C 0.6908(5) 0.6850(9) 0.4094(4) 0.0184(15) Uani 1 1 d . . . . .
C7 C 0.7433(5) 0.5760(11) 0.4554(4) 0.0228(16) Uani 1 1 d . . . . .
C8 C 0.8191(5) 0.5229(11) 0.4460(4) 0.0240(17) Uani 1 1 d . . . . .
H8 H 0.839934 0.569331 0.409256 0.029 Uiso 1 1 calc R U . . .
C9 C 0.8651(5) 0.4037(11) 0.4888(4) 0.0253(17) Uani 1 1 d . . . . .
C10 C 0.9393(5) 0.3420(13) 0.4764(4) 0.033(2) Uani 1 1 d . . . . .
H10 H 0.958644 0.382190 0.437841 0.040 Uiso 1 1 calc R U . . .
C11 C 0.9830(5) 0.2265(14) 0.5186(5) 0.036(2) Uani 1 1 d . . . . .
H11 H 1.032013 0.186088 0.508820 0.043 Uiso 1 1 calc R U . . .
C12 C 0.9557(6) 0.1657(12) 0.5774(4) 0.035(2) Uani 1 1 d . . . . .
H12 H 0.986675 0.085835 0.606863 0.042 Uiso 1 1 calc R U . . .
C13 C 0.8847(5) 0.2231(12) 0.5911(4) 0.0296(18) Uani 1 1 d . . . . .
H13 H 0.867552 0.184011 0.630838 0.036 Uiso 1 1 calc R U . . .
C14 C 0.8363(5) 0.3398(11) 0.5472(4) 0.0253(17) Uani 1 1 d . . . . .
C15 C 0.7600(5) 0.3899(11) 0.5563(4) 0.0260(18) Uani 1 1 d . . . . .
H15 H 0.740097 0.346512 0.594049 0.031 Uiso 1 1 calc R U . . .
C16 C 0.7127(5) 0.5008(11) 0.5117(3) 0.0207(16) Uani 1 1 d . . . . .
C17 C 0.6319(5) 0.5314(10) 0.5168(4) 0.0213(16) Uani 1 1 d . . . . .
H17 H 0.612644 0.490138 0.555171 0.026 Uiso 1 1 calc R U . . .
C18 C 0.5813(5) 0.6198(10) 0.4669(4) 0.0215(16) Uani 1 1 d . . . . .
H18 H 0.526478 0.629690 0.469523 0.026 Uiso 1 1 calc R U . . .
C19 C 0.6092(5) 0.6977(11) 0.4106(4) 0.0222(16) Uani 1 1 d . . . . .
C20 C 0.4818(5) 0.7480(8) 0.1723(4) 0.0207(17) Uani 1 1 d . . . . .
H20 H 0.536788 0.732277 0.171303 0.025 Uiso 1 1 calc R U . . .
C21 C 0.4249(6) 0.7144(13) 0.1136(4) 0.0308(19) Uani 1 1 d . . . . .
H21 H 0.445(6) 0.687(13) 0.082(5) 0.037 Uiso 1 1 d . U . . .
C22 C 0.3456(5) 0.7297(11) 0.1161(4) 0.0262(17) Uani 1 1 d . . . . .
H22 H 0.305794 0.705467 0.076888 0.031 Uiso 1 1 calc R U . . .
C23 C 0.3238(5) 0.7814(11) 0.1767(3) 0.0230(15) Uani 1 1 d . . . . .
H23 H 0.268865 0.788101 0.179194 0.028 Uiso 1 1 calc R U . . .
C24 C 0.3821(5) 0.8233(9) 0.2339(4) 0.0198(16) Uani 1 1 d . . . . .
C25 C 0.3710(5) 0.8737(10) 0.3031(3) 0.0205(16) Uani 1 1 d . . . . .
C26 C 0.3012(5) 0.9610(10) 0.3179(3) 0.0195(15) Uani 1 1 d . . . . .
C27 C 0.2315(5) 1.0000(10) 0.2700(4) 0.0221(16) Uani 1 1 d . . . . .
H27 H 0.227697 0.964176 0.224130 0.027 Uiso 1 1 calc R U . . .
C28 C 0.1671(5) 1.0899(11) 0.2873(4) 0.0231(17) Uani 1 1 d . . . . .
C29 C 0.0951(5) 1.1217(13) 0.2391(4) 0.030(2) Uani 1 1 d . . . . .
H29 H 0.089828 1.080940 0.193707 0.036 Uiso 1 1 calc R U . . .
C30 C 0.0340(5) 1.2091(14) 0.2570(4) 0.037(2) Uani 1 1 d . . . . .
H30 H -0.013796 1.226267 0.224286 0.045 Uiso 1 1 calc R U . . .
C31 C 0.0406(5) 1.2755(14) 0.3241(4) 0.039(2) Uani 1 1 d . . . . .
H31 H -0.002225 1.338739 0.335498 0.047 Uiso 1 1 calc R U . . .
C32 C 0.1083(6) 1.2486(12) 0.3721(4) 0.033(2) Uani 1 1 d . . . . .
H32 H 0.112517 1.293909 0.416744 0.040 Uiso 1 1 calc R U . . .
C33 C 0.1727(5) 1.1527(12) 0.3556(4) 0.0258(17) Uani 1 1 d . . . . .
C34 C 0.2414(5) 1.1131(11) 0.4035(4) 0.0234(17) Uani 1 1 d . . . . .
H34 H 0.245510 1.151543 0.449115 0.028 Uiso 1 1 calc R U . . .
C35 C 0.3042(5) 1.0196(10) 0.3871(4) 0.0219(16) Uani 1 1 d . . . . .
C36 C 0.3736(5) 0.9841(9) 0.4381(3) 0.0201(16) Uani 1 1 d . . . . .
H36 H 0.375337 1.020811 0.483653 0.024 Uiso 1 1 calc R U . . .
C37 C 0.4370(5) 0.8991(10) 0.4230(3) 0.0215(16) Uani 1 1 d . . . . .
H37 H 0.481481 0.875401 0.458471 0.026 Uiso 1 1 calc R U . . .
C38 C 0.4385(4) 0.8436(10) 0.3539(3) 0.0196(15) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.125(6) . ?
Pt1 N2 2.096(6) . ?
Pt1 C19 2.007(8) . ?
Pt1 C38 1.986(7) . ?
N1 C1 1.352(9) . ?
N1 C5 1.369(10) . ?
N2 C20 1.349(9) . ?
N2 C24 1.374(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.388(13) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.395(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.397(11) . ?
C5 C6 1.485(10) . ?
C6 C7 1.437(11) . ?
C6 C19 1.402(11) . ?
C7 C8 1.407(11) . ?
C7 C16 1.458(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.405(12) . ?
C9 C10 1.423(12) . ?
C9 C14 1.445(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.363(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.430(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.371(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.422(12) . ?
C14 C15 1.407(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(11) . ?
C16 C17 1.422(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.442(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(11) . ?
C21 H21 0.81(10) . ?
C21 C22 1.369(13) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.399(10) . ?
C24 C25 1.487(9) . ?
C25 C26 1.457(11) . ?
C25 C38 1.397(10) . ?
C26 C27 1.406(10) . ?
C26 C35 1.450(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.408(11) . ?
C28 C29 1.428(11) . ?
C28 C33 1.437(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.356(13) . ?
C30 H30 0.9500 . ?
C30 C31 1.424(13) . ?
C31 H31 0.9500 . ?
C31 C32 1.366(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.426(12) . ?
C33 C34 1.396(11) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(11) . ?
C35 C36 1.430(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.357(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.454(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Pt1 N1 103.7(2) . . ?
C19 Pt1 N1 79.9(3) . . ?
C19 Pt1 N2 162.7(3) . . ?
C38 Pt1 N1 161.5(3) . . ?
C38 Pt1 N2 78.8(3) . . ?
C38 Pt1 C19 103.3(3) . . ?
C1 N1 Pt1 124.2(6) . . ?
C1 N1 C5 118.7(7) . . ?
C5 N1 Pt1 113.1(4) . . ?
C20 N2 Pt1 121.7(5) . . ?
C20 N2 C24 120.5(6) . . ?
C24 N2 Pt1 115.3(4) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.0(8) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.7(7) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.0(8) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(8) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 120.3(7) . . ?
N1 C5 C6 113.3(7) . . ?
C4 C5 C6 126.1(7) . . ?
C7 C6 C5 123.4(7) . . ?
C19 C6 C5 114.4(7) . . ?
C19 C6 C7 121.9(7) . . ?
C6 C7 C16 117.7(7) . . ?
C8 C7 C6 124.6(7) . . ?
C8 C7 C16 117.3(7) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(7) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 C10 122.3(7) . . ?
C8 C9 C14 119.2(7) . . ?
C10 C9 C14 118.5(8) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.4(8) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(8) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.7(8) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.5(8) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 C9 118.5(8) . . ?
C15 C14 C9 118.4(7) . . ?
C15 C14 C13 123.0(7) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 C14 122.1(7) . . ?
C16 C15 H15 118.9 . . ?
C15 C16 C7 120.1(7) . . ?
C15 C16 C17 120.7(7) . . ?
C17 C16 C7 119.0(7) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(7) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.1 . . ?
C17 C18 C19 121.7(7) . . ?
C19 C18 H18 119.1 . . ?
C6 C19 Pt1 115.4(5) . . ?
C6 C19 C18 117.6(7) . . ?
C18 C19 Pt1 125.9(6) . . ?
N2 C20 H20 119.1 . . ?
N2 C20 C21 121.8(8) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 112(7) . . ?
C22 C21 C20 119.0(7) . . ?
C22 C21 H21 129(7) . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.4(7) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.6(7) . . ?
C24 C23 H23 119.7 . . ?
N2 C24 C23 118.6(7) . . ?
N2 C24 C25 112.6(6) . . ?
C23 C24 C25 128.5(7) . . ?
C26 C25 C24 125.0(7) . . ?
C38 C25 C24 113.1(7) . . ?
C38 C25 C26 121.6(6) . . ?
C27 C26 C25 125.7(6) . . ?
C27 C26 C35 116.4(7) . . ?
C35 C26 C25 117.9(7) . . ?
C26 C27 H27 118.6 . . ?
C26 C27 C28 122.7(7) . . ?
C28 C27 H27 118.6 . . ?
C27 C28 C29 122.2(7) . . ?
C27 C28 C33 119.9(7) . . ?
C29 C28 C33 117.8(7) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.1(8) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.5 . . ?
C29 C30 C31 120.9(8) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(9) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.3(8) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C28 119.6(7) . . ?
C34 C33 C28 117.5(7) . . ?
C34 C33 C32 122.9(7) . . ?
C33 C34 H34 118.7 . . ?
C35 C34 C33 122.7(7) . . ?
C35 C34 H34 118.7 . . ?
C34 C35 C26 120.6(7) . . ?
C34 C35 C36 120.3(7) . . ?
C36 C35 C26 119.1(7) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.6(7) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 H37 119.2 . . ?
C36 C37 C38 121.6(7) . . ?
C38 C37 H37 119.2 . . ?
C25 C38 Pt1 118.0(5) . . ?
C25 C38 C37 118.2(7) . . ?
C37 C38 Pt1 121.6(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 156.5(6) . . . . ?
Pt1 N1 C5 C4 -155.2(6) . . . . ?
Pt1 N1 C5 C6 18.6(8) . . . . ?
Pt1 N2 C20 C21 162.1(6) . . . . ?
Pt1 N2 C24 C23 -159.8(6) . . . . ?
Pt1 N2 C24 C25 14.4(8) . . . . ?
N1 C1 C2 C3 -3.4(13) . . . . ?
N1 C5 C6 C7 151.9(7) . . . . ?
N1 C5 C6 C19 -22.5(10) . . . . ?
N2 C20 C21 C22 -2.9(13) . . . . ?
N2 C24 C25 C26 157.3(7) . . . . ?
N2 C24 C25 C38 -17.0(10) . . . . ?
C1 N1 C5 C4 3.2(11) . . . . ?
C1 N1 C5 C6 177.0(7) . . . . ?
C1 C2 C3 C4 2.0(13) . . . . ?
C2 C3 C4 C5 1.8(13) . . . . ?
C3 C4 C5 N1 -4.5(13) . . . . ?
C3 C4 C5 C6 -177.4(8) . . . . ?
C4 C5 C6 C7 -34.7(12) . . . . ?
C4 C5 C6 C19 150.8(8) . . . . ?
C5 N1 C1 C2 0.8(12) . . . . ?
C5 C6 C7 C8 -11.6(12) . . . . ?
C5 C6 C7 C16 175.3(7) . . . . ?
C5 C6 C19 Pt1 15.3(9) . . . . ?
C5 C6 C19 C18 -175.3(7) . . . . ?
C6 C7 C8 C9 -173.8(8) . . . . ?
C6 C7 C16 C15 177.8(7) . . . . ?
C6 C7 C16 C17 3.1(11) . . . . ?
C7 C6 C19 Pt1 -159.2(6) . . . . ?
C7 C6 C19 C18 10.1(11) . . . . ?
C7 C8 C9 C10 175.7(8) . . . . ?
C7 C8 C9 C14 -3.7(12) . . . . ?
C7 C16 C17 C18 4.8(12) . . . . ?
C8 C7 C16 C15 4.1(11) . . . . ?
C8 C7 C16 C17 -170.6(7) . . . . ?
C8 C9 C10 C11 180.0(9) . . . . ?
C8 C9 C14 C13 -178.2(8) . . . . ?
C8 C9 C14 C15 4.7(12) . . . . ?
C9 C10 C11 C12 -0.8(15) . . . . ?
C9 C14 C15 C16 -1.3(12) . . . . ?
C10 C9 C14 C13 2.4(12) . . . . ?
C10 C9 C14 C15 -174.7(8) . . . . ?
C10 C11 C12 C13 0.5(15) . . . . ?
C11 C12 C13 C14 1.4(14) . . . . ?
C12 C13 C14 C9 -2.8(13) . . . . ?
C12 C13 C14 C15 174.2(9) . . . . ?
C13 C14 C15 C16 -178.3(8) . . . . ?
C14 C9 C10 C11 -0.6(14) . . . . ?
C14 C15 C16 C7 -3.2(12) . . . . ?
C14 C15 C16 C17 171.5(8) . . . . ?
C15 C16 C17 C18 -169.9(8) . . . . ?
C16 C7 C8 C9 -0.7(12) . . . . ?
C16 C17 C18 C19 -5.5(12) . . . . ?
C17 C18 C19 Pt1 166.2(6) . . . . ?
C17 C18 C19 C6 -1.9(12) . . . . ?
C19 C6 C7 C8 162.4(8) . . . . ?
C19 C6 C7 C16 -10.7(11) . . . . ?
C20 N2 C24 C23 2.4(11) . . . . ?
C20 N2 C24 C25 176.6(6) . . . . ?
C20 C21 C22 C23 1.1(14) . . . . ?
C21 C22 C23 C24 2.4(13) . . . . ?
C22 C23 C24 N2 -4.1(12) . . . . ?
C22 C23 C24 C25 -177.3(8) . . . . ?
C23 C24 C25 C26 -29.2(13) . . . . ?
C23 C24 C25 C38 156.5(8) . . . . ?
C24 N2 C20 C21 1.1(11) . . . . ?
C24 C25 C26 C27 4.8(13) . . . . ?
C24 C25 C26 C35 -172.5(7) . . . . ?
C24 C25 C38 Pt1 12.1(9) . . . . ?
C24 C25 C38 C37 175.6(7) . . . . ?
C25 C26 C27 C28 -177.8(8) . . . . ?
C25 C26 C35 C34 175.9(7) . . . . ?
C25 C26 C35 C36 -2.4(11) . . . . ?
C26 C25 C38 Pt1 -162.4(6) . . . . ?
C26 C25 C38 C37 1.1(12) . . . . ?
C26 C27 C28 C29 -176.9(8) . . . . ?
C26 C27 C28 C33 2.9(12) . . . . ?
C26 C35 C36 C37 1.0(12) . . . . ?
C27 C26 C35 C34 -1.6(11) . . . . ?
C27 C26 C35 C36 -179.9(7) . . . . ?
C27 C28 C29 C30 -179.8(9) . . . . ?
C27 C28 C33 C32 177.9(8) . . . . ?
C27 C28 C33 C34 -3.3(12) . . . . ?
C28 C29 C30 C31 1.5(15) . . . . ?
C28 C33 C34 C35 1.3(12) . . . . ?
C29 C28 C33 C32 -2.3(12) . . . . ?
C29 C28 C33 C34 176.5(8) . . . . ?
C29 C30 C31 C32 -1.5(16) . . . . ?
C30 C31 C32 C33 -0.5(15) . . . . ?
C31 C32 C33 C28 2.4(14) . . . . ?
C31 C32 C33 C34 -176.4(9) . . . . ?
C32 C33 C34 C35 -179.9(8) . . . . ?
C33 C28 C29 C30 0.4(13) . . . . ?
C33 C34 C35 C26 1.1(12) . . . . ?
C33 C34 C35 C36 179.4(8) . . . . ?
C34 C35 C36 C37 -177.3(8) . . . . ?
C35 C26 C27 C28 -0.5(12) . . . . ?
C35 C36 C37 C38 1.6(12) . . . . ?
C36 C37 C38 Pt1 160.3(6) . . . . ?
C36 C37 C38 C25 -2.6(12) . . . . ?
C38 C25 C26 C27 178.6(8) . . . . ?
C38 C25 C26 C35 1.3(11) . . . . ?

# start Validation Reply Form
_vrf_PLAT971_mm582               
;
PROBLEM: Check Calcd Resid. Dens.  0.78Ang From Pt1             4.62 eA-3  
RESPONSE: This structure contains three independent Pt atoms.  almost all of the
large residual electron density peaks are clustered around the heavy atoms.  This
is typical of of absorption effects.
;
_vrf_PLAT410_mm582               
;
PROBLEM: Short Intra H...H Contact  H23      ..H27      .       1.87 Ang.  
RESPONSE: The nature of the ligand and its coordination to Pt results in a 
shorter than normal distance between these two H atoms.

;
# end Validation Reply Form

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id ANTIPtII55
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_mm587_0m
_database_code_depnum_ccdc_archive 'CCDC 2357028'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2.249(C30.433 H20.221 Cl N1.602 Pt), 0.398(C19 H12 N1), C H2 Cl2'
_chemical_formula_sum            'C77 H52 Cl4 N4 Pt2'
_chemical_formula_weight         1565.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.775(3)
_cell_length_b                   15.586(3)
_cell_length_c                   16.270(3)
_cell_angle_alpha                80.190(6)
_cell_angle_beta                 76.548(6)
_cell_angle_gamma                85.221(6)
_cell_volume                     3101.4(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9901
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.28
_cell_measurement_theta_min      2.60
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.727
_exptl_absorpt_correction_T_max  0.307
_exptl_absorpt_correction_T_min  0.217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0887 before and 0.0535 after correction.
The ratio of minimum to maximum transmission is 0.7089.
The λ/2 correction factor is not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1532
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0936
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            79093
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.505
_diffrn_reflns_theta_min         1.303
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7639
_reflns_number_total             11460
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.773
_refine_diff_density_min         -1.679
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1214
_refine_ls_number_reflns         11460
_refine_ls_number_restraints     5717
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0684
_refine_ls_restrained_S_all      0.888
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0944P)²+39.8627P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1691
_refine_ls_wR_factor_ref         0.2045
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C32-C33 = C34-C35 = C25-C26 = C27-C28
 1.36 with sigma of 0.02
 C32-C31 = C33-C34 = C35-C36 = C25-C38 = C26-C27 = C28-C29
 1.43 with sigma of 0.02
 C36-C31 = C29-C38
 1.44 with sigma of 0.02
 C36-C37 = C29-C30 = C30-C31 = C37-C38
 1.4 with sigma of 0.02
 C28A-C27A = C26A-C25A = C35A-C34A = C33A-C32A
 1.36 with sigma of 0.02
 C28A-C29A = C27A-C26A = C25A-C38A = C35A-C36A = C34A-C33A = C32A-C31A
 1.43 with sigma of 0.02
 C38A-C29A = C31A-C36A
 1.44 with sigma of 0.02
 C38A-C37A = C31A-C30A = C30A-C29A = C37A-C36A
 1.4 with sigma of 0.02
 C9-C8 = C7-C6 = C16-C15 = C14-C13
 1.36 with sigma of 0.02
 C9-C10 = C8-C7 = C6-C19 = C16-C17 = C15-C14 = C13-C12
 1.43 with sigma of 0.02
 C19-C10 = C12-C17
 1.44 with sigma of 0.02
 C19-C18 = C12-C11 = C11-C10 = C18-C17
 1.4 with sigma of 0.02
 C9A-C8A = C7A-C6A = C16A-C15A = C14A-C13A
 1.36 with sigma of 0.02
 C9A-C10A = C8A-C7A = C6A-C19A = C16A-C17A = C15A-C14A = C13A-C12A
 1.43 with sigma of 0.02
 C19A-C10A = C12A-C17A
 1.44 with sigma of 0.02
 C19A-C18A = C12A-C11A = C11A-C10A = C18A-C17A
 1.4 with sigma of 0.02
 C63-C64 = C65-C66 = C70-C71 = C72-C73
 1.36 with sigma of 0.02
 C63-C76 = C64-C65 = C66-C67 = C70-C69 = C71-C72 = C73-C74
 1.43 with sigma of 0.02
 C67-C76 = C74-C69
 1.44 with sigma of 0.02
 C67-C68 = C74-C75 = C75-C76 = C68-C69
 1.4 with sigma of 0.02
 C32-C34 = C33-C35 = C25-C27 = C26-C28
 2.42 with sigma of 0.04
 C32-C36 = C35-C31 = C25-C29 = C28-C38
 2.47 with sigma of 0.04
 C32-C30 = C35-C37 = C25-C37 = C28-C30
 2.48 with sigma of 0.04
 C34-C36 = C27-C29
 2.43 with sigma of 0.04
 C36-C30 = C29-C37
 2.45 with sigma of 0.04
 C36-C38 = C29-C31
 2.44 with sigma of 0.04
 C28A-C26A = C27A-C25A = C35A-C33A = C34A-C32A
 2.42 with sigma of 0.04
 C28A-C38A = C25A-C29A = C35A-C31A = C32A-C36A
 2.47 with sigma of 0.04
 C28A-C30A = C25A-C37A = C35A-C37A = C32A-C30A
 2.48 with sigma of 0.04
 C26A-C38A = C33A-C31A
 2.43 with sigma of 0.04
 C38A-C30A = C31A-C37A
 2.45 with sigma of 0.04
 C38A-C36A = C31A-C29A
 2.44 with sigma of 0.04
 C9-C7 = C8-C6 = C16-C14 = C15-C13
 2.42 with sigma of 0.04
 C9-C19 = C6-C10 = C16-C12 = C13-C17
 2.47 with sigma of 0.04
 C9-C11 = C6-C18 = C16-C18 = C13-C11
 2.48 with sigma of 0.04
 C7-C19 = C14-C12
 2.43 with sigma of 0.04
 C19-C11 = C12-C18
 2.45 with sigma of 0.04
 C19-C17 = C12-C10
 2.44 with sigma of 0.04
 C9A-C7A = C8A-C6A = C16A-C14A = C15A-C13A
 2.42 with sigma of 0.04
 C9A-C19A = C6A-C10A = C16A-C12A = C13A-C17A
 2.47 with sigma of 0.04
 C9A-C11A = C6A-C18A = C16A-C18A = C13A-C11A
 2.48 with sigma of 0.04
 C7A-C19A = C14A-C12A
 2.43 with sigma of 0.04
 C19A-C11A = C12A-C18A
 2.45 with sigma of 0.04
 C19A-C17A = C12A-C10A
 2.44 with sigma of 0.04
 C63-C65 = C64-C66 = C70-C72 = C71-C73
 2.42 with sigma of 0.04
 C63-C67 = C66-C76 = C70-C74 = C73-C69
 2.47 with sigma of 0.04
 C63-C75 = C66-C68 = C70-C68 = C73-C75
 2.48 with sigma of 0.04
 C65-C67 = C72-C74
 2.43 with sigma of 0.04
 C67-C75 = C74-C68
 2.45 with sigma of 0.04
 C67-C69 = C74-C76
 2.44 with sigma of 0.04
 C32-C33 \\sim C33-C34 \\sim C34-C35 \\sim C35-C36 \\sim C36-C37 \\sim C37-C38
\\sim C38-C25 \\sim C25-C26
 \\sim C26-C27 \\sim C27-C28 \\sim C28-C29 \\sim C29-C30 \\sim C30-C31 \\sim
C31-C32 \\sim C36-C31 \\sim C29-C38
 with sigma of 0.02
 C32-C34 \\sim C33-C35 \\sim C35-C37 \\sim C35-C31 \\sim C36-C34 \\sim C36-C38
\\sim C37-C31 \\sim C37-C25
 \\sim C37-C29 \\sim C25-C29 \\sim C25-C27 \\sim C26-C28 \\sim C27-C29 \\sim
C28-C38 \\sim C26-C38 \\sim C28-
 C30 \\sim C30-C32 \\sim C30-C38 \\sim C30-C36 \\sim C29-C31 \\sim C32-C36
\\sim C31-C33
 with sigma of 0.04
 C28A-C27A \\sim C27A-C26A \\sim C26A-C25A \\sim C25A-C38A \\sim C38A-C37A
\\sim C37A-C36A \\sim C36A-
 C35A \\sim C35A-C34A \\sim C34A-C33A \\sim C33A-C32A \\sim C32A-C31A \\sim
C31A-C30A \\sim C30A-C29A ~
 C29A-C28A \\sim C38A-C29A \\sim C31A-C36A
 with sigma of 0.02
 C28A-C26A \\sim C27A-C25A \\sim C25A-C37A \\sim C25A-C29A \\sim C38A-C26A
\\sim C38A-C36A \\sim C37A-
 C29A \\sim C37A-C35A \\sim C37A-C31A \\sim C35A-C31A \\sim C35A-C33A \\sim
C34A-C32A \\sim C33A-C31A ~
 C32A-C36A \\sim C34A-C36A \\sim C32A-C30A \\sim C30A-C28A \\sim C30A-C36A
\\sim C30A-C38A \\sim C31A-
 C29A \\sim C28A-C38A \\sim C29A-C27A
 with sigma of 0.04
 C9-C8 \\sim C8-C7 \\sim C7-C6 \\sim C6-C19 \\sim C19-C18 \\sim C18-C17 \\sim
C17-C16 \\sim C16-C15 \\sim C15-
 C14 \\sim C14-C13 \\sim C13-C12 \\sim C12-C11 \\sim C11-C10 \\sim C10-C9 \\sim
C19-C10 \\sim C12-C17
 with sigma of 0.02
 C9-C7 \\sim C8-C6 \\sim C6-C18 \\sim C6-C10 \\sim C19-C7 \\sim C19-C17 \\sim
C18-C10 \\sim C18-C16 \\sim C18-
 C12 \\sim C16-C12 \\sim C16-C14 \\sim C15-C13 \\sim C14-C12 \\sim C13-C17
\\sim C15-C17 \\sim C13-C11 ~
 C11-C9 \\sim C11-C17 \\sim C11-C19 \\sim C12-C10 \\sim C9-C19 \\sim C10-C8
 with sigma of 0.04
 C9A-C8A \\sim C8A-C7A \\sim C7A-C6A \\sim C6A-C19A \\sim C19A-C18A \\sim
C18A-C17A \\sim C17A-C16A ~
 C16A-C15A \\sim C15A-C14A \\sim C14A-C13A \\sim C13A-C12A \\sim C12A-C11A
\\sim C11A-C10A \\sim C10A-
 C9A \\sim C19A-C10A \\sim C12A-C17A
 with sigma of 0.02
 C9A-C7A \\sim C8A-C6A \\sim C6A-C18A \\sim C6A-C10A \\sim C19A-C7A \\sim
C19A-C17A \\sim C18A-C10A ~
 C18A-C16A \\sim C18A-C12A \\sim C16A-C12A \\sim C16A-C14A \\sim C15A-C13A
\\sim C14A-C12A \\sim C13A-
 C17A \\sim C15A-C17A \\sim C13A-C11A \\sim C11A-C9A \\sim C11A-C17A \\sim
C11A-C19A \\sim C12A-C10A ~
 C9A-C19A \\sim C10A-C8A
 with sigma of 0.04
 C63-C64 \\sim C64-C65 \\sim C65-C66 \\sim C66-C67 \\sim C67-C68 \\sim C68-C69
\\sim C69-C70 \\sim C70-C71
 \\sim C71-C72 \\sim C72-C73 \\sim C73-C74 \\sim C74-C75 \\sim C75-C76 \\sim
C76-C63 \\sim C67-C76 \\sim C74-C69
 with sigma of 0.02
 C63-C65 \\sim C64-C66 \\sim C66-C68 \\sim C66-C76 \\sim C67-C65 \\sim C67-C69
\\sim C68-C76 \\sim C68-C70
 \\sim C68-C74 \\sim C70-C74 \\sim C70-C72 \\sim C71-C73 \\sim C72-C74 \\sim
C73-C69 \\sim C71-C69 \\sim C73-
 C75 \\sim C75-C63 \\sim C75-C69 \\sim C75-C67 \\sim C74-C76 \\sim C63-C67
\\sim C76-C64
 with sigma of 0.04
 Pt2A-N3A \\sim Pt2-N3
 with sigma of 0.02
 Pt2-C45 \\sim Pt2A-C45A
 with sigma of 0.02
 Pt2A-Cl2A \\sim Pt2-Cl2
 with sigma of 0.02
 C69-C68 \\sim C68-C67 \\sim C75-C74 \\sim C76-C75 \\sim C49-C48 \\sim C50-C49
\\sim C56-C55 \\sim C57-C56
 with sigma of 0.01
3. Restrained planarity
 C25, C26, C27, C28, C29, C30, C31, C32, C33, C34, C35, C36, C37, C38
 with sigma of 0.1
 C25A, C26A, C27A, C28A, C29A, C30A, C31A, C32A, C33A, C34A, C35A, C36A, C37A,
 C38A
 with sigma of 0.1
 C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17, C18, C19
 with sigma of 0.1
 C6A, C7A, C8A, C9A, C10A, C11A, C12A, C13A, C14A, C15A, C16A, C17A, C18A, C19A
 with sigma of 0.1
 C63, C64, C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
Uanis(C6A) = Uanis(C6)
Uanis(C19) = Uanis(C19A)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(N1A)=Sof(C1A)=Sof(H1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=
 Sof(H4A)=Sof(C5A)=Sof(C6A)=Sof(C19A)=Sof(C10A)=Sof(C9A)=Sof(H9A)=Sof(C8A)=
 Sof(H8A)=Sof(C7A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=Sof(C17A)=Sof(C16A)=Sof(H16A)=
 Sof(C15A)=Sof(H15A)=Sof(C14A)=Sof(H14A)=Sof(C13A)=Sof(H13A)=Sof(C18A)=
 Sof(H18A)=1-FVAR(1)
 Sof(N1)=Sof(C5)=Sof(C4)=Sof(H4)=Sof(C3)=Sof(H3)=Sof(C2)=Sof(H2)=Sof(C1)=
 Sof(H1)=Sof(C6)=Sof(C7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(C19)=
 Sof(C11)=Sof(H11)=Sof(C12)=Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14)=Sof(C15)=
 Sof(H15)=Sof(C16)=Sof(H16)=Sof(C17)=Sof(C18)=Sof(H18)=FVAR(1)
 Sof(C25A)=Sof(C26A)=Sof(H26A)=Sof(C27A)=Sof(H27A)=Sof(C28A)=Sof(H28A)=
 Sof(C29A)=Sof(C38A)=Sof(C30A)=Sof(H30A)=Sof(C31A)=Sof(C32A)=Sof(H32A)=
 Sof(C33A)=Sof(H33A)=Sof(C34A)=Sof(H34A)=Sof(C35A)=Sof(H35A)=Sof(C36A)=
 Sof(C37A)=Sof(H37A)=1-FVAR(2)
 Sof(C25)=Sof(C38)=Sof(C29)=Sof(C28)=Sof(H28)=Sof(C27)=Sof(H27)=Sof(C26)=
 Sof(H26)=Sof(C30)=Sof(H30)=Sof(C31)=Sof(C36)=Sof(C35)=Sof(H35)=Sof(C34)=
 Sof(H34)=Sof(C33)=Sof(H33)=Sof(C32)=Sof(H32)=Sof(C37)=Sof(H37)=FVAR(2)
 Sof(Pt2A)=Sof(Cl2A)=Sof(N3A)=Sof(C39A)=Sof(H39A)=Sof(C40A)=Sof(H40A)=
 Sof(C41A)=Sof(H41A)=Sof(C42A)=Sof(H42A)=Sof(C43A)=Sof(C45A)=Sof(C44A)=
 Sof(C57A)=Sof(C48A)=Sof(C47A)=Sof(H47A)=Sof(C46A)=Sof(H46A)=Sof(C49A)=
 Sof(H49A)=Sof(C50A)=Sof(C55A)=Sof(C54A)=Sof(H54A)=Sof(C53A)=Sof(H53A)=
 Sof(C52A)=Sof(H52A)=Sof(C51A)=Sof(H51A)=Sof(C56A)=Sof(H56A)=1-FVAR(3)
 Sof(Pt2)=Sof(Cl2)=Sof(N3)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(H40)=Sof(C41)=
 Sof(H41)=Sof(C42)=Sof(H42)=Sof(C43)=Sof(C44)=Sof(C57)=Sof(C48)=Sof(C47)=
 Sof(H47)=Sof(C46)=Sof(H46)=Sof(C45)=Sof(C49)=Sof(H49)=Sof(C50)=Sof(C55)=
 Sof(C54)=Sof(H54)=Sof(C53)=Sof(H53)=Sof(C52)=Sof(H52)=Sof(C51)=Sof(H51)=
 Sof(C56)=Sof(H56)=FVAR(3)
 Sof(C63A)=Sof(C64A)=Sof(H64A)=Sof(C65A)=Sof(H65A)=Sof(C66A)=Sof(H66A)=
 Sof(C67A)=Sof(C68A)=Sof(H68A)=Sof(C69A)=Sof(C70A)=Sof(H70A)=Sof(C71A)=
 Sof(H71A)=Sof(C72A)=Sof(H72A)=Sof(C73A)=Sof(H73A)=Sof(C74A)=Sof(C75A)=
 Sof(H75A)=Sof(C76A)=1-FVAR(4)
 Sof(C63)=Sof(C64)=Sof(H64)=Sof(C65)=Sof(H65)=Sof(C66)=Sof(H66)=Sof(C67)=
 Sof(C68)=Sof(H68)=Sof(C69)=Sof(C70)=Sof(H70)=Sof(C71)=Sof(H71)=Sof(C72)=
 Sof(H72)=Sof(C73)=Sof(H73)=Sof(C74)=Sof(C75)=Sof(H75)=Sof(C76)=FVAR(4)
7.a Secondary CH2 refined with riding coordinates:
 C77(H77A,H77B)
7.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C3(H3), C2(H2), C1(H1), C1A(H1A), C2A(H2A), C3A(H3A), C4A(H4A),
 C8(H8), C9(H9), C9A(H9A), C8A(H8A), C11(H11), C11A(H11A), C13(H13), C14(H14),
 C15(H15), C16(H16), C16A(H16A), C15A(H15A), C14A(H14A), C13A(H13A), C18(H18),
 C18A(H18A), C20(H20), C21(H21), C22(H22), C23(H23), C28(H28), C27(H27),
 C26(H26), C26A(H26A), C27A(H27A), C28A(H28A), C30(H30), C30A(H30A), C35(H35),
 C34(H34), C33(H33), C32(H32), C32A(H32A), C33A(H33A), C34A(H34A), C35A(H35A),
 C37(H37), C37A(H37A), C39(H39), C40(H40), C41(H41), C42(H42), C39A(H39A),
 C40A(H40A), C41A(H41A), C42A(H42A), C58(H58), C59(H59), C60(H60), C61(H61),
 C47(H47), C46(H46), C47A(H47A), C46A(H46A), C49(H49), C49A(H49A), C54(H54),
 C53(H53), C52(H52), C51(H51), C54A(H54A), C53A(H53A), C52A(H52A), C51A(H51A),
 C56(H56), C56A(H56A), C64(H64), C64A(H64A), C65(H65), C65A(H65A), C66(H66),
 C66A(H66A), C68(H68), C68A(H68A), C70(H70), C70A(H70A), C71(H71), C71A(H71A),
 C72(H72), C72A(H72A), C73(H73), C73A(H73A), C75(H75), C75A(H75A)
7.c Fitted hexagon refined as free rotating group:
 N1(C5,C4,C3,C2,C1), C6(C7,C8,C9,C10,C19), C6A(C19A,C10A,C9A,C8A,C7A), C12(C13,
 C14,C15,C16,C17), C12A(C17A,C16A,C15A,C14A,C13A), C25(C38,C29,C28,C27,C26),
 C25A(C26A,C27A,C28A,C29A,C38A), C31(C36,C35,C34,C33,C32), C31A(C32A,C33A,C34A,
 C35A,C36A), N3(C39,C40,C41,C42,C43), N3A(C39A,C40A,C41A,C42A,C43A), N4(C58,C59,
 C60,C61,C62), C44(C57,C48,C47,C46,C45), C45A(C44A,C57A,C48A,C47A,C46A),
 C50(C55,C54,C53,C52,C51), C50A(C55A,C54A,C53A,C52A,C51A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.56488(4) 0.84063(3) 0.25734(3) 0.04722(17) Uani 1 1 d . U . A 1
Cl1 Cl 0.4742(2) 0.93086(19) 0.3607(2) 0.0507(7) Uani 1 1 d . . . . .
N1 N 0.6964(13) 0.9083(13) 0.2097(16) 0.045(5) Uani 0.602(10) 1 d G U P A 1
C5 C 0.7733(13) 0.8821(11) 0.1418(14) 0.050(5) Uani 0.602(10) 1 d G U P A 1
C4 C 0.8701(12) 0.9238(10) 0.1128(10) 0.049(4) Uani 0.602(10) 1 d G U P A 1
H4 H 0.922635 0.905916 0.066433 0.059 Uiso 0.602(10) 1 calc R U P A 1
C3 C 0.8900(12) 0.9918(10) 0.1516(11) 0.062(5) Uani 0.602(10) 1 d G U P A 1
H3 H 0.956084 1.020320 0.131753 0.075 Uiso 0.602(10) 1 calc R U P A 1
C2 C 0.8131(15) 1.0180(11) 0.2194(11) 0.065(6) Uani 0.602(10) 1 d G U P A 1
H2 H 0.826648 1.064437 0.245948 0.078 Uiso 0.602(10) 1 calc R U P A 1
C1 C 0.7163(15) 0.9762(13) 0.2485(13) 0.051(6) Uani 0.602(10) 1 d G U P A 1
H1 H 0.663762 0.994150 0.294822 0.062 Uiso 0.602(10) 1 calc R U P A 1
N1A N 0.690(3) 0.924(3) 0.201(3) 0.056(7) Uani 0.398(10) 1 d . U P A 2
N2 N 0.4418(7) 0.7579(6) 0.3027(6) 0.044(2) Uani 1 1 d . U . . .
C1A C 0.705(4) 0.994(3) 0.230(3) 0.062(8) Uani 0.398(10) 1 d . U P A 2
H1A H 0.656205 1.007456 0.279898 0.074 Uiso 0.398(10) 1 calc R U P A 2
C2A C 0.785(3) 1.048(3) 0.192(2) 0.061(7) Uani 0.398(10) 1 d . U P A 2
H2A H 0.796538 1.094497 0.219170 0.073 Uiso 0.398(10) 1 calc R U P A 2
C3A C 0.850(3) 1.035(2) 0.113(2) 0.060(6) Uani 0.398(10) 1 d . U P A 2
H3A H 0.903945 1.074154 0.081902 0.072 Uiso 0.398(10) 1 calc R U P A 2
C4A C 0.829(3) 0.962(2) 0.084(2) 0.054(6) Uani 0.398(10) 1 d . U P A 2
H4A H 0.867365 0.950805 0.028886 0.065 Uiso 0.398(10) 1 calc R U P A 2
C5A C 0.747(3) 0.900(3) 0.137(3) 0.050(6) Uani 0.398(10) 1 d . U P A 2
C6 C 0.7329(13) 0.8072(8) 0.1093(9) 0.056(3) Uani 0.602(10) 1 d DG U P A 1
C7 C 0.6596(11) 0.7608(8) 0.1754(7) 0.059(5) Uani 0.602(10) 1 d DG U P A 1
C8 C 0.6377(10) 0.6761(8) 0.1706(7) 0.053(4) Uani 0.602(10) 1 d DG U P A 1
H8 H 0.587663 0.644485 0.215744 0.063 Uiso 0.602(10) 1 calc R U P A 1
C9 C 0.6891(11) 0.6378(7) 0.0998(8) 0.061(5) Uani 0.602(10) 1 d DG U P A 1
H9 H 0.674209 0.579922 0.096590 0.073 Uiso 0.602(10) 1 calc R U P A 1
C10 C 0.7624(8) 0.6841(7) 0.0338(6) 0.055(4) Uani 0.602(10) 1 d DG U P A 1
C19 C 0.7843(9) 0.7688(8) 0.0386(7) 0.063(3) Uani 0.602(10) 1 d DG U P A 1
C6A C 0.7341(16) 0.8084(15) 0.1126(12) 0.056(3) Uani 0.398(10) 1 d DG U P A 2
C19A C 0.7789(12) 0.7781(11) 0.0359(10) 0.063(3) Uani 0.398(10) 1 d DG U P A 2
C10A C 0.7217(12) 0.7234(10) 0.0051(9) 0.061(6) Uani 0.398(10) 1 d DG U P A 2
C9A C 0.6197(14) 0.6991(14) 0.0509(12) 0.064(6) Uani 0.398(10) 1 d DG U P A 2
H9A H 0.580630 0.661734 0.029815 0.076 Uiso 0.398(10) 1 calc R U P A 2
C8A C 0.5749(13) 0.7294(13) 0.1276(11) 0.062(6) Uani 0.398(10) 1 d DG U P A 2
H8A H 0.505197 0.712767 0.158951 0.074 Uiso 0.398(10) 1 calc R U P A 2
C7A C 0.6321(16) 0.7841(14) 0.1585(11) 0.054(6) Uani 0.398(10) 1 d DG U P A 2
C11 C 0.8159(15) 0.6424(10) -0.0358(9) 0.061(5) Uani 0.602(10) 1 d D U P A 1
H11 H 0.803801 0.582896 -0.035161 0.073 Uiso 0.602(10) 1 calc R U P A 1
C11A C 0.7643(17) 0.693(2) -0.0724(14) 0.065(6) Uani 0.398(10) 1 d D U P A 2
H11A H 0.722976 0.656174 -0.092174 0.078 Uiso 0.398(10) 1 calc R U P A 2
C12 C 0.8864(12) 0.6874(9) -0.1058(8) 0.062(5) Uani 0.602(10) 1 d DG U P A 1
C13 C 0.9306(13) 0.6496(8) -0.1784(9) 0.069(6) Uani 0.602(10) 1 d DG U P A 1
H13 H 0.915121 0.591524 -0.180294 0.083 Uiso 0.602(10) 1 calc R U P A 1
C14 C 0.9974(13) 0.6969(10) -0.2483(8) 0.077(6) Uani 0.602(10) 1 d DG U P A 1
H14 H 1.027568 0.671132 -0.297945 0.093 Uiso 0.602(10) 1 calc R U P A 1
C15 C 1.0200(13) 0.7820(10) -0.2456(7) 0.072(5) Uani 0.602(10) 1 d DG U P A 1
H15 H 1.065622 0.814300 -0.293353 0.086 Uiso 0.602(10) 1 calc R U P A 1
C16 C 0.9758(13) 0.8197(8) -0.1730(8) 0.072(5) Uani 0.602(10) 1 d DG U P A 1
H16 H 0.991230 0.877860 -0.171109 0.086 Uiso 0.602(10) 1 calc R U P A 1
C17 C 0.9090(11) 0.7724(9) -0.1031(7) 0.053(4) Uani 0.602(10) 1 d DG U P A 1
C12A C 0.8663(13) 0.7151(16) -0.1213(12) 0.064(6) Uani 0.398(10) 1 d DG U P A 2
C17A C 0.9277(14) 0.7658(15) -0.0898(11) 0.055(6) Uani 0.398(10) 1 d DG U P A 2
C16A C 1.0308(14) 0.7869(15) -0.1357(13) 0.061(6) Uani 0.398(10) 1 d DG U P A 2
H16A H 1.072713 0.821533 -0.114073 0.073 Uiso 0.398(10) 1 calc R U P A 2
C15A C 1.0725(14) 0.7573(17) -0.2132(13) 0.070(7) Uani 0.398(10) 1 d DG U P A 2
H15A H 1.143005 0.771685 -0.244552 0.084 Uiso 0.398(10) 1 calc R U P A 2
C14A C 1.0112(16) 0.7066(18) -0.2448(12) 0.078(7) Uani 0.398(10) 1 d DG U P A 2
H14A H 1.039699 0.686350 -0.297737 0.093 Uiso 0.398(10) 1 calc R U P A 2
C13A C 0.9080(16) 0.6855(17) -0.1989(13) 0.067(7) Uani 0.398(10) 1 d DG U P A 2
H13A H 0.866098 0.650861 -0.220445 0.081 Uiso 0.398(10) 1 calc R U P A 2
C18 C 0.8640(17) 0.8096(13) -0.0286(10) 0.055(5) Uani 0.602(10) 1 d D U P A 1
H18 H 0.888319 0.864025 -0.023489 0.066 Uiso 0.602(10) 1 calc R U P A 1
C18A C 0.8812(19) 0.800(2) -0.0140(16) 0.054(7) Uani 0.398(10) 1 d D U P A 2
H18A H 0.920626 0.839989 0.003916 0.065 Uiso 0.398(10) 1 calc R U P A 2
C20 C 0.4660(11) 0.6832(8) 0.3498(8) 0.057(3) Uani 1 1 d . U . . .
H20 H 0.536661 0.673391 0.359947 0.068 Uiso 1 1 calc R U . . .
C21 C 0.3913(13) 0.6195(9) 0.3844(9) 0.067(3) Uani 1 1 d . U . . .
H21 H 0.409223 0.567908 0.419813 0.080 Uiso 1 1 calc R U . . .
C22 C 0.2947(13) 0.6325(10) 0.3669(10) 0.074(4) Uani 1 1 d . U . . .
H22 H 0.244007 0.588273 0.387559 0.089 Uiso 1 1 calc R U . . .
C23 C 0.2660(12) 0.7092(10) 0.3191(10) 0.074(4) Uani 1 1 d . U . . .
H23 H 0.195136 0.718938 0.309358 0.089 Uiso 1 1 calc R U . . .
C24 C 0.3427(11) 0.7721(9) 0.2853(9) 0.059(3) Uani 1 1 d . U . . .
C25 C 0.3268(13) 0.8535(9) 0.2176(8) 0.066(4) Uani 0.642(9) 1 d DG U P B 1
C38 C 0.3688(10) 0.8717(8) 0.1300(8) 0.076(5) Uani 0.642(9) 1 d DG U P B 1
C29 C 0.3417(11) 0.9506(9) 0.0839(7) 0.090(6) Uani 0.642(9) 1 d DG U P B 1
C28 C 0.2725(14) 1.0113(9) 0.1254(10) 0.093(6) Uani 0.642(9) 1 d DG U P B 1
H28 H 0.253984 1.065278 0.093852 0.112 Uiso 0.642(9) 1 calc R U P B 1
C27 C 0.2306(13) 0.9931(10) 0.2130(10) 0.096(6) Uani 0.642(9) 1 d DG U P B 1
H27 H 0.183318 1.034622 0.241349 0.115 Uiso 0.642(9) 1 calc R U P B 1
C26 C 0.2577(12) 0.9142(10) 0.2591(8) 0.080(5) Uani 0.642(9) 1 d DG U P B 1
H26 H 0.229021 0.901757 0.318999 0.096 Uiso 0.642(9) 1 calc R U P B 1
C25A C 0.3001(19) 0.8598(14) 0.2534(13) 0.057(5) Uani 0.358(9) 1 d DG U P B -2
C26A C 0.3361(18) 0.8779(15) 0.1651(13) 0.066(7) Uani 0.358(9) 1 d DG U P B -2
H26A H 0.389741 0.840701 0.136233 0.079 Uiso 0.358(9) 1 calc R U P B -2
C27A C 0.2936(19) 0.9504(16) 0.1190(10) 0.069(7) Uani 0.358(9) 1 d DG U P B -2
H27A H 0.318221 0.962727 0.058617 0.083 Uiso 0.358(9) 1 calc R U P B -2
C28A C 0.2152(19) 1.0048(15) 0.1612(11) 0.071(8) Uani 0.358(9) 1 d DG U P B -2
H28A H 0.186121 1.054306 0.129689 0.085 Uiso 0.358(9) 1 calc R U P B -2
C29A C 0.1792(14) 0.9867(11) 0.2495(11) 0.060(6) Uani 0.358(9) 1 d DG U P B -2
C38A C 0.2217(14) 0.9142(12) 0.2956(10) 0.057(6) Uani 0.358(9) 1 d DG U P B -2
C30 C 0.387(2) 0.9690(12) -0.0045(9) 0.105(8) Uani 0.642(9) 1 d D U P B 1
H30 H 0.368856 1.023872 -0.034717 0.126 Uiso 0.642(9) 1 calc R U P B 1
C30A C 0.100(2) 1.0420(15) 0.2913(12) 0.066(7) Uani 0.358(9) 1 d D U P B -2
H30A H 0.076356 1.093785 0.259512 0.079 Uiso 0.358(9) 1 calc R U P B -2
C31 C 0.4569(11) 0.9106(8) -0.0506(8) 0.066(4) Uani 0.642(9) 1 d DG U P B 1
C36 C 0.4838(11) 0.8311(8) -0.0054(7) 0.079(5) Uani 0.642(9) 1 d DG U P B 1
C35 C 0.5494(12) 0.7695(8) -0.0482(9) 0.083(6) Uani 0.642(9) 1 d DG U P B 1
H35 H 0.567802 0.715121 -0.017326 0.100 Uiso 0.642(9) 1 calc R U P B 1
C34 C 0.5882(12) 0.7874(10) -0.1363(9) 0.090(6) Uani 0.642(9) 1 d DG U P B 1
H34 H 0.633079 0.745338 -0.165545 0.108 Uiso 0.642(9) 1 calc R U P B 1
C33 C 0.5614(13) 0.8670(11) -0.1815(7) 0.095(6) Uani 0.642(9) 1 d DG U P B 1
H33 H 0.587854 0.879248 -0.241685 0.115 Uiso 0.642(9) 1 calc R U P B 1
C32 C 0.4957(13) 0.9286(9) -0.1387(8) 0.100(7) Uani 0.642(9) 1 d DG U P B 1
H32 H 0.477351 0.982942 -0.169608 0.120 Uiso 0.642(9) 1 calc R U P B 1
C31A C 0.0564(18) 1.0223(14) 0.3790(10) 0.078(9) Uani 0.358(9) 1 d DG U P B -2
C32A C -0.017(2) 1.0808(14) 0.4205(14) 0.089(11) Uani 0.358(9) 1 d DG U P B -2
H32A H -0.046238 1.129409 0.388163 0.107 Uiso 0.358(9) 1 calc R U P B -2
C33A C -0.046(2) 1.0682(17) 0.5094(14) 0.089(11) Uani 0.358(9) 1 d DG U P B -2
H33A H -0.096323 1.108207 0.537707 0.106 Uiso 0.358(9) 1 calc R U P B -2
C34A C -0.003(3) 0.9972(19) 0.5567(11) 0.092(11) Uani 0.358(9) 1 d DG U P B -2
H34A H -0.023432 0.988552 0.617421 0.111 Uiso 0.358(9) 1 calc R U P B -2
C35A C 0.070(2) 0.9387(16) 0.5152(11) 0.075(9) Uani 0.358(9) 1 d DG U P B -2
H35A H 0.099544 0.890098 0.547593 0.090 Uiso 0.358(9) 1 calc R U P B -2
C36A C 0.0997(18) 0.9513(13) 0.4264(11) 0.064(7) Uani 0.358(9) 1 d DG U P B -2
C37 C 0.4398(15) 0.8130(11) 0.0841(8) 0.075(5) Uani 0.642(9) 1 d D U P B 1
H37 H 0.459168 0.758699 0.114556 0.090 Uiso 0.642(9) 1 calc R U P B 1
C37A C 0.1793(18) 0.8966(13) 0.3837(11) 0.050(6) Uani 0.358(9) 1 d D U P B -2
H37A H 0.205217 0.845942 0.415819 0.060 Uiso 0.358(9) 1 calc R U P B -2
Pt2 Pt 0.2746(4) 0.3309(4) 0.5732(4) 0.0473(7) Uani 0.639(11) 1 d D U P C 1
Pt2A Pt 0.2523(8) 0.3302(7) 0.5914(6) 0.0500(14) Uani 0.361(11) 1 d D U P C 2
Cl2 Cl 0.4269(8) 0.3827(6) 0.4622(7) 0.054(2) Uani 0.639(11) 1 d D U P C 1
Cl2A Cl 0.3945(15) 0.3989(10) 0.4834(12) 0.058(4) Uani 0.361(11) 1 d D U P C 2
N3 N 0.2704(12) 0.4216(8) 0.6468(10) 0.058(4) Uani 0.639(11) 1 d DG U P C 1
C39 C 0.3407(12) 0.4895(10) 0.6251(10) 0.078(5) Uani 0.639(11) 1 d G U P C 1
H39 H 0.403075 0.487432 0.580159 0.094 Uiso 0.639(11) 1 calc R U P C 1
C40 C 0.3198(14) 0.5602(9) 0.6691(12) 0.091(6) Uani 0.639(11) 1 d G U P C 1
H40 H 0.367831 0.606599 0.654226 0.109 Uiso 0.639(11) 1 calc R U P C 1
C41 C 0.2285(15) 0.5632(9) 0.7348(12) 0.100(7) Uani 0.639(11) 1 d G U P C 1
H41 H 0.214224 0.611601 0.764853 0.120 Uiso 0.639(11) 1 calc R U P C 1
C42 C 0.1582(12) 0.4954(10) 0.7565(11) 0.088(6) Uani 0.639(11) 1 d G U P C 1
H42 H 0.095860 0.497437 0.801414 0.105 Uiso 0.639(11) 1 calc R U P C 1
C43 C 0.1792(11) 0.4246(8) 0.7125(10) 0.063(4) Uani 0.639(11) 1 d G U P C 1
N3A N 0.242(3) 0.4163(16) 0.6711(16) 0.066(6) Uani 0.361(11) 1 d DG U P C 2
C39A C 0.316(3) 0.4808(18) 0.6544(15) 0.072(6) Uani 0.361(11) 1 d G U P C 2
H39A H 0.353246 0.500202 0.597216 0.086 Uiso 0.361(11) 1 calc R U P C 2
C40A C 0.337(2) 0.5168(17) 0.721(2) 0.090(7) Uani 0.361(11) 1 d G U P C 2
H40A H 0.387584 0.560908 0.709785 0.108 Uiso 0.361(11) 1 calc R U P C 2
C41A C 0.283(3) 0.4884(19) 0.8049(17) 0.091(8) Uani 0.361(11) 1 d G U P C 2
H41A H 0.296771 0.513033 0.850579 0.109 Uiso 0.361(11) 1 calc R U P C 2
C42A C 0.208(2) 0.4239(19) 0.8216(14) 0.078(7) Uani 0.361(11) 1 d G U P C 2
H42A H 0.171618 0.404452 0.878806 0.094 Uiso 0.361(11) 1 calc R U P C 2
C43A C 0.188(2) 0.3878(14) 0.7548(18) 0.065(6) Uani 0.361(11) 1 d G U P C 2
N4 N 0.2665(7) 0.2351(4) 0.5111(5) 0.051(2) Uani 1 1 d G U . . .
C58 C 0.3305(7) 0.1610(5) 0.5295(5) 0.064(3) Uani 1 1 d G U . C .
H58 H 0.369480 0.157317 0.573222 0.076 Uiso 1 1 calc R U . . .
C59 C 0.3376(7) 0.0922(4) 0.4839(6) 0.060(3) Uani 1 1 d G U . C .
H59 H 0.381325 0.041487 0.496485 0.072 Uiso 1 1 calc R U . . .
C60 C 0.2806(8) 0.0975(5) 0.4200(6) 0.074(4) Uani 1 1 d G U . C .
H60 H 0.285406 0.050477 0.388829 0.088 Uiso 1 1 calc R U . . .
C61 C 0.2166(8) 0.1716(6) 0.4016(6) 0.081(4) Uani 1 1 d G U . C .
H61 H 0.177642 0.175297 0.357909 0.097 Uiso 1 1 calc R U . . .
C62 C 0.2095(7) 0.2405(5) 0.4472(5) 0.059(3) Uani 1 1 d G U . C .
C44 C 0.1237(12) 0.3450(9) 0.7324(9) 0.052(4) Uani 0.639(11) 1 d G U P C 1
C57 C 0.0402(13) 0.3219(10) 0.8028(8) 0.053(4) Uani 0.639(11) 1 d DG U P C 1
C48 C -0.0166(12) 0.2481(10) 0.8081(9) 0.060(4) Uani 0.639(11) 1 d DG U P C 1
C47 C 0.0101(14) 0.1974(9) 0.7432(11) 0.064(5) Uani 0.639(11) 1 d G U P C 1
H47 H -0.028701 0.146922 0.746864 0.077 Uiso 0.639(11) 1 calc R U P C 1
C46 C 0.0936(15) 0.2204(10) 0.6728(9) 0.055(5) Uani 0.639(11) 1 d G U P C 1
H46 H 0.111854 0.185681 0.628449 0.066 Uiso 0.639(11) 1 calc R U P C 1
C45 C 0.1504(12) 0.2942(10) 0.6675(8) 0.044(3) Uani 0.639(11) 1 d DG U P C 1
C45A C 0.147(2) 0.2717(17) 0.6896(16) 0.047(6) Uani 0.361(11) 1 d DG U P C 2
C44A C 0.113(2) 0.3162(15) 0.7589(18) 0.055(5) Uani 0.361(11) 1 d G U P C 2
C57A C 0.029(2) 0.2860(17) 0.8261(15) 0.053(5) Uani 0.361(11) 1 d G U P C 2
C48A C -0.021(2) 0.2112(17) 0.8238(16) 0.058(6) Uani 0.361(11) 1 d G U P C 2
C47A C 0.012(2) 0.1666(16) 0.7545(19) 0.058(7) Uani 0.361(11) 1 d G U P C 2
H47A H -0.022805 0.115489 0.752922 0.070 Uiso 0.361(11) 1 calc R U P C 2
C46A C 0.096(3) 0.1969(18) 0.6873(15) 0.050(6) Uani 0.361(11) 1 d G U P C 2
H46A H 0.118733 0.166411 0.639901 0.060 Uiso 0.361(11) 1 calc R U P C 2
C49 C -0.0995(15) 0.2196(12) 0.8793(9) 0.059(4) Uani 0.639(11) 1 d D U P C 1
H49 H -0.131014 0.166011 0.881036 0.071 Uiso 0.639(11) 1 calc R U P C 1
C49A C -0.110(4) 0.179(3) 0.892(3) 0.068(7) Uani 0.361(11) 1 d . U P C 2
H49A H -0.139205 0.124816 0.890319 0.082 Uiso 0.361(11) 1 calc R U P C 2
C50 C -0.1379(15) 0.2664(10) 0.9478(10) 0.065(4) Uani 0.639(11) 1 d DG U P C 1
C55 C -0.0858(15) 0.3428(11) 0.9418(11) 0.076(5) Uani 0.639(11) 1 d DG U P C 1
C54 C -0.1198(18) 0.3962(12) 1.0041(13) 0.114(8) Uani 0.639(11) 1 d G U P C 1
H54 H -0.084108 0.448408 1.000041 0.137 Uiso 0.639(11) 1 calc R U P C 1
C53 C -0.2059(19) 0.3734(14) 1.0723(12) 0.124(9) Uani 0.639(11) 1 d G U P C 1
H53 H -0.229153 0.409919 1.114849 0.149 Uiso 0.639(11) 1 calc R U P C 1
C52 C -0.2581(16) 0.2970(14) 1.0782(11) 0.104(7) Uani 0.639(11) 1 d G U P C 1
H52 H -0.316973 0.281408 1.124847 0.125 Uiso 0.639(11) 1 calc R U P C 1
C51 C -0.2241(15) 0.2436(11) 1.0160(11) 0.084(6) Uani 0.639(11) 1 d G U P C 1
H51 H -0.259750 0.191385 1.020035 0.101 Uiso 0.639(11) 1 calc R U P C 1
C50A C -0.155(3) 0.223(2) 0.9593(18) 0.070(7) Uani 0.361(11) 1 d G U P C 2
C55A C -0.107(3) 0.299(2) 0.9628(19) 0.076(6) Uani 0.361(11) 1 d G U P C 2
C54A C -0.145(3) 0.344(2) 1.031(2) 0.102(8) Uani 0.361(11) 1 d G U P C 2
H54A H -0.112429 0.396220 1.033580 0.122 Uiso 0.361(11) 1 calc R U P C 2
C53A C -0.231(3) 0.314(2) 1.096(2) 0.115(9) Uani 0.361(11) 1 d G U P C 2
H53A H -0.257233 0.344481 1.143170 0.138 Uiso 0.361(11) 1 calc R U P C 2
C52A C -0.279(3) 0.238(2) 1.093(2) 0.096(9) Uani 0.361(11) 1 d G U P C 2
H52A H -0.337680 0.216771 1.137442 0.115 Uiso 0.361(11) 1 calc R U P C 2
C51A C -0.241(3) 0.193(2) 1.024(2) 0.081(8) Uani 0.361(11) 1 d G U P C 2
H51A H -0.273324 0.140799 1.022122 0.097 Uiso 0.361(11) 1 calc R U P C 2
C56 C 0.0052(15) 0.3649(14) 0.8750(10) 0.063(5) Uani 0.639(11) 1 d D U P C 1
H56 H 0.045736 0.411848 0.878896 0.076 Uiso 0.639(11) 1 calc R U P C 1
C56A C -0.031(4) 0.331(3) 0.906(3) 0.056(6) Uani 0.361(11) 1 d . U P C 2
H56A H -0.006728 0.385310 0.910323 0.067 Uiso 0.361(11) 1 calc R U P C 2
C63 C 0.1526(18) 0.3299(13) 0.4246(14) 0.061(5) Uani 0.53(2) 1 d D U P C 1
C63A C 0.136(3) 0.309(2) 0.438(2) 0.059(5) Uani 0.47(2) 1 d . U P C 2
C64 C 0.0498(18) 0.3476(14) 0.4726(15) 0.064(6) Uani 0.53(2) 1 d D U P C 1
H64 H 0.020743 0.308603 0.522846 0.076 Uiso 0.53(2) 1 calc R U P C 1
C64A C 0.031(3) 0.311(2) 0.483(2) 0.064(6) Uani 0.47(2) 1 d . U P C 2
H64A H 0.004988 0.264934 0.527961 0.076 Uiso 0.47(2) 1 calc R U P C 2
C65 C -0.0116(18) 0.4233(15) 0.4471(15) 0.068(6) Uani 0.53(2) 1 d D U P C 1
H65 H -0.083776 0.432364 0.477197 0.082 Uiso 0.53(2) 1 calc R U P C 1
C65A C -0.038(3) 0.387(2) 0.461(2) 0.066(6) Uani 0.47(2) 1 d . U P C 2
H65A H -0.110859 0.388513 0.492836 0.080 Uiso 0.47(2) 1 calc R U P C 2
C66 C 0.0341(16) 0.4843(14) 0.3778(14) 0.056(5) Uani 0.53(2) 1 d D U P C 1
H66 H -0.002974 0.538638 0.365505 0.067 Uiso 0.53(2) 1 calc R U P C 1
C66A C -0.007(3) 0.453(2) 0.401(3) 0.065(6) Uani 0.47(2) 1 d . U P C 2
H66A H -0.055592 0.500337 0.389980 0.078 Uiso 0.47(2) 1 calc R U P C 2
C67 C 0.1361(17) 0.4652(13) 0.3256(14) 0.061(5) Uani 0.53(2) 1 d D U P C 1
C67A C 0.096(3) 0.453(2) 0.354(3) 0.063(5) Uani 0.47(2) 1 d . U P C 2
C68 C 0.1771(19) 0.5219(14) 0.2498(15) 0.069(6) Uani 0.53(2) 1 d D U P C 1
H68 H 0.134895 0.571615 0.231928 0.083 Uiso 0.53(2) 1 calc R U P C 1
C68A C 0.135(3) 0.517(2) 0.292(3) 0.071(6) Uani 0.47(2) 1 d . U P C 2
H68A H 0.089310 0.566951 0.283300 0.085 Uiso 0.47(2) 1 calc R U P C 2
C69 C 0.2805(18) 0.5050(15) 0.2003(16) 0.075(6) Uani 0.53(2) 1 d D U P C 1
C69A C 0.238(3) 0.516(2) 0.236(3) 0.064(5) Uani 0.47(2) 1 d . U P C 2
C70 C 0.325(2) 0.5654(17) 0.1272(19) 0.093(8) Uani 0.53(2) 1 d D U P C 1
H70 H 0.287811 0.619630 0.114701 0.111 Uiso 0.53(2) 1 calc R U P C 1
C70A C 0.276(4) 0.584(2) 0.165(3) 0.085(7) Uani 0.47(2) 1 d . U P C 2
H70A H 0.231327 0.633831 0.152375 0.102 Uiso 0.47(2) 1 calc R U P C 2
C71 C 0.423(2) 0.5456(19) 0.0738(19) 0.103(9) Uani 0.53(2) 1 d D U P C 1
H71 H 0.447643 0.581810 0.020608 0.124 Uiso 0.53(2) 1 calc R U P C 1
C71A C 0.378(4) 0.575(3) 0.118(3) 0.096(8) Uani 0.47(2) 1 d . U P C 2
H71A H 0.401839 0.619797 0.071459 0.115 Uiso 0.47(2) 1 calc R U P C 2
C72 C 0.486(2) 0.4712(19) 0.0995(19) 0.098(9) Uani 0.53(2) 1 d D U P C 1
H72 H 0.555821 0.459882 0.065409 0.117 Uiso 0.53(2) 1 calc R U P C 1
C72A C 0.450(4) 0.507(3) 0.133(3) 0.089(7) Uani 0.47(2) 1 d . U P C 2
H72A H 0.520355 0.504507 0.096954 0.106 Uiso 0.47(2) 1 calc R U P C 2
C73 C 0.4474(19) 0.4143(17) 0.1746(18) 0.084(7) Uani 0.53(2) 1 d D U P C 1
H73 H 0.490243 0.364437 0.191115 0.101 Uiso 0.53(2) 1 calc R U P C 1
C73A C 0.417(3) 0.440(2) 0.200(2) 0.070(6) Uani 0.47(2) 1 d . U P C 2
H73A H 0.465456 0.392871 0.212873 0.084 Uiso 0.47(2) 1 calc R U P C 2
C74 C 0.344(2) 0.4305(16) 0.2265(17) 0.074(6) Uani 0.53(2) 1 d D U P C 1
C74A C 0.312(3) 0.444(2) 0.251(3) 0.068(6) Uani 0.47(2) 1 d . U P C 2
C75 C 0.3010(17) 0.3723(14) 0.3008(15) 0.059(5) Uani 0.53(2) 1 d D U P C 1
H75 H 0.342031 0.321298 0.317266 0.070 Uiso 0.53(2) 1 calc R U P C 1
C75A C 0.268(3) 0.383(2) 0.323(2) 0.061(6) Uani 0.47(2) 1 d . U P C 2
H75A H 0.317529 0.337431 0.338136 0.073 Uiso 0.47(2) 1 calc R U P C 2
C76 C 0.1976(18) 0.3889(14) 0.3509(15) 0.058(5) Uani 0.53(2) 1 d D U P C 1
C76A C 0.173(3) 0.378(2) 0.373(3) 0.060(6) Uani 0.47(2) 1 d . U P C 2
Cl3 Cl 0.3911(8) 0.8105(6) 0.6547(5) 0.197(4) Uani 1 1 d . U . . .
Cl4 Cl 0.2530(7) 0.7493(7) 0.5589(5) 0.189(4) Uani 1 1 d . U . . .
C77 C 0.3795(19) 0.7882(14) 0.5549(15) 0.130(7) Uani 1 1 d . U . . .
H77A H 0.391054 0.842049 0.512432 0.156 Uiso 1 1 calc R U . . .
H77B H 0.436389 0.744213 0.535647 0.156 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.403(3) . ?
Pt1 N1 1.987(12) . ?
Pt1 N2 2.039(9) . ?
Pt1 C7 2.086(9) . ?
N1 C5 1.3900 . ?
N1 C1 1.3900 . ?
C5 C4 1.3900 . ?
C5 C6 1.532(16) . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C1 1.3900 . ?
C1 H1 0.9500 . ?
N1A C1A 1.30(4) . ?
N1A C5A 1.22(4) . ?
N2 C20 1.335(16) . ?
N2 C24 1.353(16) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.34(5) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.40(5) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.37(4) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.50(5) . ?
C5A C6A 1.58(4) . ?
C6 C7 1.3900 . ?
C6 C19 1.3900 . ?
C7 C8 1.3900 . ?
C8 H8 0.9500 . ?
C8 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 C19 1.3900 . ?
C10 C11 1.411(9) . ?
C19 C18 1.410(10) . ?
C6A C19A 1.3900 . ?
C6A C7A 1.3900 . ?
C19A C10A 1.3900 . ?
C19A C18A 1.405(10) . ?
C10A C9A 1.3900 . ?
C10A C11A 1.398(10) . ?
C9A H9A 0.9500 . ?
C9A C8A 1.3900 . ?
C8A H8A 0.9500 . ?
C8A C7A 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.399(10) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.396(10) . ?
C12 C13 1.3900 . ?
C12 C17 1.3900 . ?
C13 H13 0.9500 . ?
C13 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C17 1.3900 . ?
C17 C18 1.413(9) . ?
C12A C17A 1.3900 . ?
C12A C13A 1.3900 . ?
C17A C16A 1.3900 . ?
C17A C18A 1.412(10) . ?
C16A H16A 0.9500 . ?
C16A C15A 1.3900 . ?
C15A H15A 0.9500 . ?
C15A C14A 1.3900 . ?
C14A H14A 0.9500 . ?
C14A C13A 1.3900 . ?
C13A H13A 0.9500 . ?
C18 H18 0.9500 . ?
C18A H18A 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.390(18) . ?
C21 H21 0.9500 . ?
C21 C22 1.32(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.38(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(19) . ?
C24 C25 1.565(17) . ?
C24 C25A 1.48(2) . ?
C25 C38 1.3900 . ?
C25 C26 1.3900 . ?
C38 C29 1.3900 . ?
C38 C37 1.413(10) . ?
C29 C28 1.3900 . ?
C29 C30 1.409(10) . ?
C28 H28 0.9500 . ?
C28 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C25A C26A 1.3900 . ?
C25A C38A 1.3900 . ?
C26A H26A 0.9500 . ?
C26A C27A 1.3900 . ?
C27A H27A 0.9500 . ?
C27A C28A 1.3900 . ?
C28A H28A 0.9500 . ?
C28A C29A 1.3900 . ?
C29A C38A 1.3900 . ?
C29A C30A 1.398(10) . ?
C38A C37A 1.397(10) . ?
C30 H30 0.9500 . ?
C30 C31 1.406(10) . ?
C30A H30A 0.9500 . ?
C30A C31A 1.398(10) . ?
C31 C36 1.3900 . ?
C31 C32 1.3900 . ?
C36 C35 1.3900 . ?
C36 C37 1.422(10) . ?
C35 H35 0.9500 . ?
C35 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C32 1.3900 . ?
C32 H32 0.9500 . ?
C31A C32A 1.3900 . ?
C31A C36A 1.3900 . ?
C32A H32A 0.9500 . ?
C32A C33A 1.3900 . ?
C33A H33A 0.9500 . ?
C33A C34A 1.3900 . ?
C34A H34A 0.9500 . ?
C34A C35A 1.3900 . ?
C35A H35A 0.9500 . ?
C35A C36A 1.3900 . ?
C36A C37A 1.404(10) . ?
C37 H37 0.9500 . ?
C37A H37A 0.9500 . ?
Pt2 Cl2 2.414(8) . ?
Pt2 N3 1.993(10) . ?
Pt2 N4 1.961(7) . ?
Pt2 C45 1.979(10) . ?
Pt2A Cl2A 2.394(14) . ?
Pt2A N3A 1.997(15) . ?
Pt2A N4 2.106(11) . ?
Pt2A C45A 1.977(15) . ?
N3 C39 1.3900 . ?
N3 C43 1.3900 . ?
C39 H39 0.9500 . ?
C39 C40 1.3900 . ?
C40 H40 0.9500 . ?
C40 C41 1.3900 . ?
C41 H41 0.9500 . ?
C41 C42 1.3900 . ?
C42 H42 0.9500 . ?
C42 C43 1.3900 . ?
C43 C44 1.432(15) . ?
N3A C39A 1.3900 . ?
N3A C43A 1.3900 . ?
C39A H39A 0.9500 . ?
C39A C40A 1.3900 . ?
C40A H40A 0.9500 . ?
C40A C41A 1.3900 . ?
C41A H41A 0.9500 . ?
C41A C42A 1.3900 . ?
C42A H42A 0.9500 . ?
C42A C43A 1.3900 . ?
C43A C44A 1.51(3) . ?
N4 C58 1.3900 . ?
N4 C62 1.3900 . ?
C58 H58 0.9500 . ?
C58 C59 1.3900 . ?
C59 H59 0.9500 . ?
C59 C60 1.3900 . ?
C60 H60 0.9500 . ?
C60 C61 1.3900 . ?
C61 H61 0.9500 . ?
C61 C62 1.3900 . ?
C62 C63 1.55(2) . ?
C62 C63A 1.38(3) . ?
C44 C57 1.3900 . ?
C44 C45 1.3900 . ?
C57 C48 1.3900 . ?
C57 C56 1.415(9) . ?
C48 C47 1.3900 . ?
C48 C49 1.412(9) . ?
C47 H47 0.9500 . ?
C47 C46 1.3900 . ?
C46 H46 0.9500 . ?
C46 C45 1.3900 . ?
C45A C44A 1.3900 . ?
C45A C46A 1.3900 . ?
C44A C57A 1.3900 . ?
C57A C48A 1.3900 . ?
C57A C56A 1.58(4) . ?
C48A C47A 1.3900 . ?
C48A C49A 1.45(5) . ?
C47A H47A 0.9500 . ?
C47A C46A 1.3900 . ?
C46A H46A 0.9500 . ?
C49 H49 0.9500 . ?
C49 C50 1.406(9) . ?
C49A H49A 0.9500 . ?
C49A C50A 1.38(4) . ?
C50 C55 1.3900 . ?
C50 C51 1.3900 . ?
C55 C54 1.3900 . ?
C55 C56 1.416(9) . ?
C54 H54 0.9500 . ?
C54 C53 1.3900 . ?
C53 H53 0.9500 . ?
C53 C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C51 1.3900 . ?
C51 H51 0.9500 . ?
C50A C55A 1.3900 . ?
C50A C51A 1.3900 . ?
C55A C54A 1.3900 . ?
C55A C56A 1.25(5) . ?
C54A H54A 0.9500 . ?
C54A C53A 1.3900 . ?
C53A H53A 0.9500 . ?
C53A C52A 1.3900 . ?
C52A H52A 0.9500 . ?
C52A C51A 1.3900 . ?
C51A H51A 0.9500 . ?
C56 H56 0.9500 . ?
C56A H56A 0.9500 . ?
C63 C64 1.394(11) . ?
C63 C76 1.416(11) . ?
C63A C64A 1.36(4) . ?
C63A C76A 1.41(5) . ?
C64 H64 0.9500 . ?
C64 C65 1.418(11) . ?
C64A H64A 0.9500 . ?
C64A C65A 1.47(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.391(11) . ?
C65A H65A 0.9500 . ?
C65A C66A 1.31(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.419(11) . ?
C66A H66A 0.9500 . ?
C66A C67A 1.36(5) . ?
C67 C68 1.408(7) . ?
C67 C76 1.425(11) . ?
C67A C68A 1.33(5) . ?
C67A C76A 1.50(4) . ?
C68 H68 0.9500 . ?
C68 C69 1.408(7) . ?
C68A H68A 0.9500 . ?
C68A C69A 1.41(5) . ?
C69 C70 1.420(11) . ?
C69 C74 1.423(11) . ?
C69A C70A 1.45(5) . ?
C69A C74A 1.44(5) . ?
C70 H70 0.9500 . ?
C70 C71 1.394(12) . ?
C70A H70A 0.9500 . ?
C70A C71A 1.36(6) . ?
C71 H71 0.9500 . ?
C71 C72 1.417(11) . ?
C71A H71A 0.9500 . ?
C71A C72A 1.37(6) . ?
C72 H72 0.9500 . ?
C72 C73 1.395(11) . ?
C72A H72A 0.9500 . ?
C72A C73A 1.39(5) . ?
C73 H73 0.9500 . ?
C73 C74 1.422(11) . ?
C73A H73A 0.9500 . ?
C73A C74A 1.40(5) . ?
C74 C75 1.409(7) . ?
C74A C75A 1.41(5) . ?
C75 H75 0.9500 . ?
C75 C76 1.410(7) . ?
C75A H75A 0.9500 . ?
C75A C76A 1.29(5) . ?
Cl3 C77 1.76(3) . ?
Cl4 C77 1.76(3) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Cl1 98.3(5) . . ?
N1 Pt1 N2 172.9(6) . . ?
N1 Pt1 C7 77.8(6) . . ?
N2 Pt1 Cl1 87.9(3) . . ?
N2 Pt1 C7 95.6(4) . . ?
C7 Pt1 Cl1 172.8(4) . . ?
C5 N1 Pt1 119.3(10) . . ?
C5 N1 C1 120.0 . . ?
C1 N1 Pt1 120.4(10) . . ?
N1 C5 C6 110.4(11) . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 129.6(11) . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 N1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C5A N1A C1A 123(3) . . ?
C20 N2 Pt1 115.1(8) . . ?
C20 N2 C24 119.9(11) . . ?
C24 N2 Pt1 124.9(8) . . ?
N1A C1A H1A 117.9 . . ?
N1A C1A C2A 124(3) . . ?
C2A C1A H1A 117.9 . . ?
C1A C2A H2A 120.3 . . ?
C1A C2A C3A 119(3) . . ?
C3A C2A H2A 120.3 . . ?
C2A C3A H3A 122.8 . . ?
C4A C3A C2A 114(3) . . ?
C4A C3A H3A 122.8 . . ?
C3A C4A H4A 119.6 . . ?
C3A C4A C5A 121(3) . . ?
C5A C4A H4A 119.6 . . ?
N1A C5A C4A 117(3) . . ?
N1A C5A C6A 121(3) . . ?
C4A C5A C6A 122(3) . . ?
C7 C6 C5 109.7(10) . . ?
C7 C6 C19 120.0 . . ?
C19 C6 C5 126.6(10) . . ?
C6 C7 Pt1 112.6(6) . . ?
C8 C7 Pt1 125.5(6) . . ?
C8 C7 C6 120.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C11 118.6(8) . . ?
C19 C10 C9 120.0 . . ?
C19 C10 C11 121.4(8) . . ?
C6 C19 C18 123.3(8) . . ?
C10 C19 C6 120.0 . . ?
C10 C19 C18 116.6(8) . . ?
C19A C6A C5A 128.0(18) . . ?
C19A C6A C7A 120.0 . . ?
C7A C6A C5A 104.7(17) . . ?
C6A C19A C18A 123.1(10) . . ?
C10A C19A C6A 120.0 . . ?
C10A C19A C18A 116.9(10) . . ?
C19A C10A C11A 121.2(9) . . ?
C9A C10A C19A 120.0 . . ?
C9A C10A C11A 118.8(9) . . ?
C10A C9A H9A 120.0 . . ?
C10A C9A C8A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C9A C8A H8A 120.0 . . ?
C7A C8A C9A 120.0 . . ?
C7A C8A H8A 120.0 . . ?
C8A C7A C6A 120.0 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(11) . . ?
C12 C11 H11 119.6 . . ?
C10A C11A H11A 119.3 . . ?
C12A C11A C10A 121.5(12) . . ?
C12A C11A H11A 119.3 . . ?
C13 C12 C11 121.1(8) . . ?
C13 C12 C17 120.0 . . ?
C17 C12 C11 118.8(8) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C12 C17 C18 119.3(8) . . ?
C16 C17 C12 120.0 . . ?
C16 C17 C18 120.7(8) . . ?
C17A C12A C11A 118.5(10) . . ?
C17A C12A C13A 120.0 . . ?
C13A C12A C11A 121.4(10) . . ?
C12A C17A C18A 119.2(10) . . ?
C16A C17A C12A 120.0 . . ?
C16A C17A C18A 120.7(9) . . ?
C17A C16A H16A 120.0 . . ?
C15A C16A C17A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C19 C18 C17 122.3(11) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C19A C18A C17A 122.4(12) . . ?
C19A C18A H18A 118.8 . . ?
C17A C18A H18A 118.8 . . ?
N2 C20 H20 118.9 . . ?
N2 C20 C21 122.2(13) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 120.9 . . ?
C22 C21 C20 118.3(14) . . ?
C22 C21 H21 120.9 . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121.4(14) . . ?
C23 C22 H22 119.3 . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 118.9(14) . . ?
C24 C23 H23 120.5 . . ?
N2 C24 C23 119.3(13) . . ?
N2 C24 C25 116.6(12) . . ?
N2 C24 C25A 122.8(15) . . ?
C23 C24 C25 123.6(13) . . ?
C23 C24 C25A 115.6(15) . . ?
C38 C25 C24 131.5(9) . . ?
C38 C25 C26 120.0 . . ?
C26 C25 C24 108.5(9) . . ?
C25 C38 C29 120.0 . . ?
C25 C38 C37 122.8(9) . . ?
C29 C38 C37 117.2(9) . . ?
C38 C29 C30 119.3(9) . . ?
C28 C29 C38 120.0 . . ?
C28 C29 C30 120.7(9) . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26A C25A C24 109.5(12) . . ?
C26A C25A C38A 120.0 . . ?
C38A C25A C24 129.6(12) . . ?
C25A C26A H26A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C28A C29A C30A 119.5(10) . . ?
C38A C29A C28A 120.0 . . ?
C38A C29A C30A 120.5(10) . . ?
C25A C38A C37A 122.2(10) . . ?
C29A C38A C25A 120.0 . . ?
C29A C38A C37A 117.8(10) . . ?
C29 C30 H30 118.1 . . ?
C31 C30 C29 123.7(11) . . ?
C31 C30 H30 118.1 . . ?
C29A C30A H30A 119.5 . . ?
C29A C30A C31A 121.0(12) . . ?
C31A C30A H30A 119.5 . . ?
C36 C31 C30 117.5(9) . . ?
C36 C31 C32 120.0 . . ?
C32 C31 C30 122.5(9) . . ?
C31 C36 C37 118.9(9) . . ?
C35 C36 C31 120.0 . . ?
C35 C36 C37 121.1(9) . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32A C31A C30A 120.2(10) . . ?
C32A C31A C36A 120.0 . . ?
C36A C31A C30A 118.9(10) . . ?
C31A C32A H32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C31A C36A C37A 119.1(10) . . ?
C35A C36A C31A 120.0 . . ?
C35A C36A C37A 120.7(10) . . ?
C38 C37 C36 123.3(11) . . ?
C38 C37 H37 118.3 . . ?
C36 C37 H37 118.3 . . ?
C38A C37A C36A 122.2(12) . . ?
C38A C37A H37A 118.9 . . ?
C36A C37A H37A 118.9 . . ?
N3 Pt2 Cl2 97.2(5) . . ?
N4 Pt2 Cl2 89.1(4) . . ?
N4 Pt2 N3 173.6(6) . . ?
N4 Pt2 C45 94.2(5) . . ?
C45 Pt2 Cl2 176.7(5) . . ?
C45 Pt2 N3 79.5(6) . . ?
N3A Pt2A Cl2A 95.4(10) . . ?
N3A Pt2A N4 177.3(11) . . ?
N4 Pt2A Cl2A 85.3(5) . . ?
C45A Pt2A Cl2A 173.3(13) . . ?
C45A Pt2A N3A 81.4(12) . . ?
C45A Pt2A N4 97.6(9) . . ?
C39 N3 Pt2 123.0(8) . . ?
C39 N3 C43 120.0 . . ?
C43 N3 Pt2 115.7(8) . . ?
N3 C39 H39 120.0 . . ?
N3 C39 C40 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
N3 C43 C44 112.0(11) . . ?
C42 C43 N3 120.0 . . ?
C42 C43 C44 127.6(11) . . ?
C39A N3A Pt2A 120.8(16) . . ?
C39A N3A C43A 120.0 . . ?
C43A N3A Pt2A 114.5(15) . . ?
N3A C39A H39A 120.0 . . ?
C40A C39A N3A 120.0 . . ?
C40A C39A H39A 120.0 . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C41A C40A H40A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C42A C41A C40A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C43A C42A C41A 120.0 . . ?
C43A C42A H42A 120.0 . . ?
N3A C43A C44A 111(2) . . ?
C42A C43A N3A 120.0 . . ?
C42A C43A C44A 129(2) . . ?
C58 N4 Pt2 115.4(4) . . ?
C58 N4 Pt2A 116.3(5) . . ?
C58 N4 C62 120.0 . . ?
C62 N4 Pt2 124.3(4) . . ?
C62 N4 Pt2A 123.5(5) . . ?
N4 C58 H58 120.0 . . ?
N4 C58 C59 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C60 C59 H59 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
N4 C62 C63 115.5(11) . . ?
C61 C62 N4 120.0 . . ?
C61 C62 C63 124.1(10) . . ?
C63A C62 N4 118.9(16) . . ?
C63A C62 C61 120.5(16) . . ?
C57 C44 C43 126.1(11) . . ?
C57 C44 C45 120.0 . . ?
C45 C44 C43 113.4(11) . . ?
C44 C57 C56 127.0(12) . . ?
C48 C57 C44 120.0 . . ?
C48 C57 C56 113.0(12) . . ?
C57 C48 C47 120.0 . . ?
C57 C48 C49 122.7(11) . . ?
C47 C48 C49 117.3(11) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C47 C46 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C44 C45 Pt2 116.2(8) . . ?
C46 C45 Pt2 123.8(8) . . ?
C46 C45 C44 120.0 . . ?
C44A C45A Pt2A 115.9(15) . . ?
C44A C45A C46A 120.0 . . ?
C46A C45A Pt2A 123.5(15) . . ?
C45A C44A C43A 112(2) . . ?
C45A C44A C57A 120.0 . . ?
C57A C44A C43A 128(2) . . ?
C44A C57A C48A 120.0 . . ?
C44A C57A C56A 129(2) . . ?
C48A C57A C56A 111(2) . . ?
C57A C48A C49A 122(2) . . ?
C47A C48A C57A 120.0 . . ?
C47A C48A C49A 118(2) . . ?
C48A C47A H47A 120.0 . . ?
C48A C47A C46A 120.0 . . ?
C46A C47A H47A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C47A C46A C45A 120.0 . . ?
C47A C46A H46A 120.0 . . ?
C48 C49 H49 118.3 . . ?
C50 C49 C48 123.3(14) . . ?
C50 C49 H49 118.3 . . ?
C48A C49A H49A 119.0 . . ?
C50A C49A C48A 122(4) . . ?
C50A C49A H49A 119.0 . . ?
C55 C50 C49 114.9(12) . . ?
C55 C50 C51 120.0 . . ?
C51 C50 C49 125.0(12) . . ?
C50 C55 C56 120.6(12) . . ?
C54 C55 C50 120.0 . . ?
C54 C55 C56 119.3(12) . . ?
C55 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C54 C53 H53 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C49A C50A C55A 118(3) . . ?
C49A C50A C51A 122(3) . . ?
C55A C50A C51A 120.0 . . ?
C50A C55A C54A 120.0 . . ?
C56A C55A C50A 123(3) . . ?
C56A C55A C54A 117(3) . . ?
C55A C54A H54A 120.0 . . ?
C53A C54A C55A 120.0 . . ?
C53A C54A H54A 120.0 . . ?
C54A C53A H53A 120.0 . . ?
C54A C53A C52A 120.0 . . ?
C52A C53A H53A 120.0 . . ?
C53A C52A H52A 120.0 . . ?
C51A C52A C53A 120.0 . . ?
C51A C52A H52A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C52A C51A H51A 120.0 . . ?
C57 C56 C55 124.7(15) . . ?
C57 C56 H56 117.7 . . ?
C55 C56 H56 117.7 . . ?
C57A C56A H56A 117.6 . . ?
C55A C56A C57A 125(3) . . ?
C55A C56A H56A 117.6 . . ?
C64 C63 C62 118.6(13) . . ?
C64 C63 C76 120.1(13) . . ?
C76 C63 C62 121.0(14) . . ?
C62 C63A C76A 115(3) . . ?
C64A C63A C62 125(3) . . ?
C64A C63A C76A 120(3) . . ?
C63 C64 H64 119.7 . . ?
C63 C64 C65 120.5(14) . . ?
C65 C64 H64 119.7 . . ?
C63A C64A H64A 121.1 . . ?
C63A C64A C65A 118(3) . . ?
C65A C64A H64A 121.1 . . ?
C64 C65 H65 120.1 . . ?
C66 C65 C64 119.9(13) . . ?
C66 C65 H65 120.1 . . ?
C64A C65A H65A 117.9 . . ?
C66A C65A C64A 124(3) . . ?
C66A C65A H65A 117.9 . . ?
C65 C66 H66 120.0 . . ?
C65 C66 C67 120.0(13) . . ?
C67 C66 H66 120.0 . . ?
C65A C66A H66A 120.1 . . ?
C65A C66A C67A 120(3) . . ?
C67A C66A H66A 120.1 . . ?
C66 C67 C76 119.6(11) . . ?
C68 C67 C66 120.3(12) . . ?
C68 C67 C76 120.0(11) . . ?
C66A C67A C76A 120(3) . . ?
C68A C67A C66A 124(3) . . ?
C68A C67A C76A 116(3) . . ?
C67 C68 H68 119.9 . . ?
C69 C68 C67 120.2(12) . . ?
C69 C68 H68 119.9 . . ?
C67A C68A H68A 116.9 . . ?
C67A C68A C69A 126(3) . . ?
C69A C68A H68A 116.9 . . ?
C68 C69 C70 120.2(12) . . ?
C68 C69 C74 120.1(11) . . ?
C70 C69 C74 119.5(11) . . ?
C68A C69A C70A 125(3) . . ?
C68A C69A C74A 118(3) . . ?
C74A C69A C70A 117(4) . . ?
C69 C70 H70 119.8 . . ?
C71 C70 C69 120.4(14) . . ?
C71 C70 H70 119.8 . . ?
C69A C70A H70A 120.9 . . ?
C71A C70A C69A 118(4) . . ?
C71A C70A H70A 120.9 . . ?
C70 C71 H71 120.2 . . ?
C70 C71 C72 119.5(14) . . ?
C72 C71 H71 120.2 . . ?
C70A C71A H71A 117.3 . . ?
C70A C71A C72A 125(4) . . ?
C72A C71A H71A 117.3 . . ?
C71 C72 H72 119.8 . . ?
C73 C72 C71 120.4(14) . . ?
C73 C72 H72 119.8 . . ?
C71A C72A H72A 120.9 . . ?
C71A C72A C73A 118(4) . . ?
C73A C72A H72A 120.9 . . ?
C72 C73 H73 119.8 . . ?
C72 C73 C74 120.5(13) . . ?
C74 C73 H73 119.8 . . ?
C72A C73A H73A 120.1 . . ?
C72A C73A C74A 120(4) . . ?
C74A C73A H73A 120.1 . . ?
C73 C74 C69 118.9(11) . . ?
C75 C74 C69 119.4(12) . . ?
C75 C74 C73 121.6(12) . . ?
C73A C74A C69A 121(3) . . ?
C73A C74A C75A 126(3) . . ?
C75A C74A C69A 112(3) . . ?
C74 C75 H75 119.6 . . ?
C74 C75 C76 120.7(12) . . ?
C76 C75 H75 119.6 . . ?
C74A C75A H75A 114.0 . . ?
C76A C75A C74A 132(3) . . ?
C76A C75A H75A 114.0 . . ?
C63 C76 C67 119.3(11) . . ?
C75 C76 C63 121.2(12) . . ?
C75 C76 C67 119.4(11) . . ?
C63A C76A C67A 118(3) . . ?
C75A C76A C63A 127(3) . . ?
C75A C76A C67A 115(3) . . ?
Cl3 C77 H77A 109.1 . . ?
Cl3 C77 H77B 109.1 . . ?
Cl4 C77 Cl3 112.3(12) . . ?
Cl4 C77 H77A 109.1 . . ?
Cl4 C77 H77B 109.1 . . ?
H77A C77 H77B 107.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C5 C4 -174.2(18) . . . . ?
Pt1 N1 C5 C6 6.3(14) . . . . ?
Pt1 N1 C1 C2 174.1(18) . . . . ?
Pt1 N2 C20 C21 -179.2(11) . . . . ?
Pt1 N2 C24 C23 178.7(11) . . . . ?
Pt1 N2 C24 C25 6.7(17) . . . . ?
Pt1 C7 C8 C9 163.0(10) . . . . ?
N1 C5 C4 C3 0.0 . . . . ?
N1 C5 C6 C7 -27.1(13) . . . . ?
N1 C5 C6 C19 174.9(10) . . . . ?
C5 N1 C1 C2 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C6 C7 Pt1 35.2(11) . . . . ?
C5 C6 C7 C8 -159.7(16) . . . . ?
C5 C6 C19 C10 156.0(19) . . . . ?
C5 C6 C19 C18 -20(2) . . . . ?
C4 C5 C6 C7 153.6(15) . . . . ?
C4 C5 C6 C19 -4(3) . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C3 C2 C1 N1 0.0 . . . . ?
C1 N1 C5 C4 0.0 . . . . ?
C1 N1 C5 C6 -179.4(18) . . . . ?
N1A C1A C2A C3A 7(8) . . . . ?
N1A C5A C6A C19A 168(4) . . . . ?
N1A C5A C6A C7A 19(5) . . . . ?
N2 C20 C21 C22 3(2) . . . . ?
N2 C24 C25 C38 68.0(17) . . . . ?
N2 C24 C25 C26 -111.8(11) . . . . ?
N2 C24 C25A C26A 84.3(16) . . . . ?
N2 C24 C25A C38A -106.9(18) . . . . ?
C1A N1A C5A C4A -8(7) . . . . ?
C1A N1A C5A C6A 172(5) . . . . ?
C1A C2A C3A C4A -5(6) . . . . ?
C2A C3A C4A C5A -4(6) . . . . ?
C3A C4A C5A N1A 10(6) . . . . ?
C3A C4A C5A C6A -170(3) . . . . ?
C4A C5A C6A C19A -12(5) . . . . ?
C4A C5A C6A C7A -161(3) . . . . ?
C5A N1A C1A C2A 0(8) . . . . ?
C5A C6A C19A C10A -145(3) . . . . ?
C5A C6A C19A C18A 34(3) . . . . ?
C5A C6A C7A C8A 152(2) . . . . ?
C6 C5 C4 C3 179(2) . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C6 C19 C18 C17 -174.8(15) . . . . ?
C7 C6 C19 C10 0.0 . . . . ?
C7 C6 C19 C18 -176.2(15) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C9 C10 C19 0.0 . . . . ?
C8 C9 C10 C11 178.0(13) . . . . ?
C9 C10 C19 C6 0.0 . . . . ?
C9 C10 C19 C18 176.5(14) . . . . ?
C9 C10 C11 C12 176.9(14) . . . . ?
C10 C19 C18 C17 9(3) . . . . ?
C10 C11 C12 C13 -173.2(13) . . . . ?
C10 C11 C12 C17 4(3) . . . . ?
C19 C6 C7 Pt1 -165.1(9) . . . . ?
C19 C6 C7 C8 0.0 . . . . ?
C19 C10 C11 C12 -5(2) . . . . ?
C6A C19A C10A C9A 0.0 . . . . ?
C6A C19A C10A C11A 179.2(19) . . . . ?
C6A C19A C18A C17A 177(2) . . . . ?
C19A C6A C7A C8A 0.0 . . . . ?
C19A C10A C9A C8A 0.0 . . . . ?
C19A C10A C11A C12A 1(4) . . . . ?
C10A C19A C18A C17A -3(4) . . . . ?
C10A C9A C8A C7A 0.0 . . . . ?
C10A C11A C12A C17A 3(4) . . . . ?
C10A C11A C12A C13A -179(2) . . . . ?
C9A C10A C11A C12A 180(2) . . . . ?
C9A C8A C7A C6A 0.0 . . . . ?
C7A C6A C19A C10A 0.0 . . . . ?
C7A C6A C19A C18A 180(2) . . . . ?
C11 C10 C19 C6 -177.9(13) . . . . ?
C11 C10 C19 C18 -1.4(19) . . . . ?
C11 C12 C13 C14 177.7(18) . . . . ?
C11 C12 C17 C16 -177.7(17) . . . . ?
C11 C12 C17 C18 3(2) . . . . ?
C11A C10A C9A C8A -179.2(18) . . . . ?
C11A C12A C17A C16A 178(3) . . . . ?
C11A C12A C17A C18A -6(3) . . . . ?
C11A C12A C13A C14A -178(3) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C12 C17 C18 C19 -10(3) . . . . ?
C13 C12 C17 C16 0.0 . . . . ?
C13 C12 C17 C18 -179.6(18) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C12 0.0 . . . . ?
C15 C16 C17 C18 179.6(18) . . . . ?
C16 C17 C18 C19 170.8(16) . . . . ?
C17 C12 C13 C14 0.0 . . . . ?
C12A C17A C16A C15A 0.0 . . . . ?
C12A C17A C18A C19A 7(4) . . . . ?
C17A C12A C13A C14A 0.0 . . . . ?
C17A C16A C15A C14A 0.0 . . . . ?
C16A C17A C18A C19A -178(2) . . . . ?
C16A C15A C14A C13A 0.0 . . . . ?
C15A C14A C13A C12A 0.0 . . . . ?
C13A C12A C17A C16A 0.0 . . . . ?
C13A C12A C17A C18A 176(3) . . . . ?
C18A C19A C10A C9A -179.7(19) . . . . ?
C18A C19A C10A C11A 0(3) . . . . ?
C18A C17A C16A C15A -176(3) . . . . ?
C20 N2 C24 C23 2(2) . . . . ?
C20 N2 C24 C25 -170.1(12) . . . . ?
C20 N2 C24 C25A 163.9(14) . . . . ?
C20 C21 C22 C23 -3(2) . . . . ?
C21 C22 C23 C24 3(3) . . . . ?
C22 C23 C24 N2 -2(2) . . . . ?
C22 C23 C24 C25 169.0(14) . . . . ?
C22 C23 C24 C25A -165.7(16) . . . . ?
C23 C24 C25 C38 -103.6(17) . . . . ?
C23 C24 C25 C26 76.6(16) . . . . ?
C23 C24 C25A C26A -113.0(14) . . . . ?
C23 C24 C25A C38A 56(2) . . . . ?
C24 N2 C20 C21 -2.0(19) . . . . ?
C24 C25 C38 C29 -179.8(17) . . . . ?
C24 C25 C38 C37 -0.1(16) . . . . ?
C24 C25 C26 C27 179.8(13) . . . . ?
C24 C25A C26A C27A 170(2) . . . . ?
C24 C25A C38A C29A -168(2) . . . . ?
C24 C25A C38A C37A 9(2) . . . . ?
C25 C38 C29 C28 0.0 . . . . ?
C25 C38 C29 C30 178.5(16) . . . . ?
C25 C38 C37 C36 -179.6(14) . . . . ?
C38 C25 C26 C27 0.0 . . . . ?
C38 C29 C28 C27 0.0 . . . . ?
C38 C29 C30 C31 2(3) . . . . ?
C29 C38 C37 C36 0(3) . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C29 C30 C31 C36 -1(3) . . . . ?
C29 C30 C31 C32 176.5(18) . . . . ?
C28 C29 C30 C31 -179.8(18) . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C26 C25 C38 C29 0.0 . . . . ?
C26 C25 C38 C37 179.7(14) . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C25A C38A C37A C36A -179.7(18) . . . . ?
C26A C25A C38A C29A 0.0 . . . . ?
C26A C25A C38A C37A 177.0(17) . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C38A 0.0 . . . . ?
C27A C28A C29A C30A 179.8(18) . . . . ?
C28A C29A C38A C25A 0.0 . . . . ?
C28A C29A C38A C37A -177.1(16) . . . . ?
C28A C29A C30A C31A 175(2) . . . . ?
C29A C38A C37A C36A -3(3) . . . . ?
C29A C30A C31A C32A 176(2) . . . . ?
C29A C30A C31A C36A 6(4) . . . . ?
C38A C25A C26A C27A 0.0 . . . . ?
C38A C29A C30A C31A -5(4) . . . . ?
C30 C29 C28 C27 -178.5(16) . . . . ?
C30 C31 C36 C35 177.5(18) . . . . ?
C30 C31 C36 C37 0(2) . . . . ?
C30 C31 C32 C33 -177.4(19) . . . . ?
C30A C29A C38A C25A -179.8(18) . . . . ?
C30A C29A C38A C37A 3(2) . . . . ?
C30A C31A C32A C33A -169(3) . . . . ?
C30A C31A C36A C35A 169(3) . . . . ?
C30A C31A C36A C37A -6(3) . . . . ?
C31 C36 C35 C34 0.0 . . . . ?
C31 C36 C37 C38 1(3) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C35 C36 C37 C38 -177.0(14) . . . . ?
C35 C34 C33 C32 0.0 . . . . ?
C34 C33 C32 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
C32 C31 C36 C37 -177.7(16) . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C31A C36A C37A C38A 4(3) . . . . ?
C32A C31A C36A C35A 0.0 . . . . ?
C32A C31A C36A C37A -175(2) . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C33A C34A C35A C36A 0.0 . . . . ?
C34A C35A C36A C31A 0.0 . . . . ?
C34A C35A C36A C37A 175(2) . . . . ?
C35A C36A C37A C38A -171.1(19) . . . . ?
C36A C31A C32A C33A 0.0 . . . . ?
C37 C38 C29 C28 -179.7(13) . . . . ?
C37 C38 C29 C30 -1(2) . . . . ?
C37 C36 C35 C34 177.6(17) . . . . ?
Pt2 N3 C39 C40 166.4(12) . . . . ?
Pt2 N3 C43 C42 -167.3(11) . . . . ?
Pt2 N3 C43 C44 19.6(14) . . . . ?
Pt2 N4 C58 C59 -174.7(6) . . . . ?
Pt2 N4 C62 C61 174.2(7) . . . . ?
Pt2 N4 C62 C63 1.5(12) . . . . ?
Pt2A N3A C39A C40A -154(2) . . . . ?
Pt2A N3A C43A C42A 156(2) . . . . ?
Pt2A N3A C43A C44A -23(2) . . . . ?
Pt2A N4 C58 C59 175.0(7) . . . . ?
Pt2A N4 C62 C61 -174.7(7) . . . . ?
Pt2A N4 C62 C63A -4(2) . . . . ?
Pt2A C45A C44A C43A -16(2) . . . . ?
Pt2A C45A C44A C57A 172(2) . . . . ?
Pt2A C45A C46A C47A -171(2) . . . . ?
N3 C39 C40 C41 0.0 . . . . ?
N3 C43 C44 C57 169.4(10) . . . . ?
N3 C43 C44 C45 -19.1(14) . . . . ?
C39 N3 C43 C42 0.0 . . . . ?
C39 N3 C43 C44 -173.0(14) . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 N3 0.0 . . . . ?
C41 C42 C43 C44 171.9(16) . . . . ?
C42 C43 C44 C57 -3.0(18) . . . . ?
C42 C43 C44 C45 168.5(10) . . . . ?
C43 N3 C39 C40 0.0 . . . . ?
C43 C44 C57 C48 171.0(16) . . . . ?
C43 C44 C57 C56 -11(2) . . . . ?
C43 C44 C45 Pt2 10.4(13) . . . . ?
C43 C44 C45 C46 -172.1(14) . . . . ?
N3A C39A C40A C41A 0.0 . . . . ?
N3A C43A C44A C45A 25(2) . . . . ?
N3A C43A C44A C57A -163.7(19) . . . . ?
C39A N3A C43A C42A 0.0 . . . . ?
C39A N3A C43A C44A -179(2) . . . . ?
C39A C40A C41A C42A 0.0 . . . . ?
C40A C41A C42A C43A 0.0 . . . . ?
C41A C42A C43A N3A 0.0 . . . . ?
C41A C42A C43A C44A 178(3) . . . . ?
C42A C43A C44A C45A -153.5(19) . . . . ?
C42A C43A C44A C57A 18(3) . . . . ?
C43A N3A C39A C40A 0.0 . . . . ?
C43A C44A C57A C48A -171(3) . . . . ?
C43A C44A C57A C56A 17(4) . . . . ?
N4 C58 C59 C60 0.0 . . . . ?
N4 C62 C63 C64 -85.8(12) . . . . ?
N4 C62 C63 C76 101(2) . . . . ?
N4 C62 C63A C64A -84(3) . . . . ?
N4 C62 C63A C76A 99(3) . . . . ?
C58 N4 C62 C61 0.0 . . . . ?
C58 N4 C62 C63 -172.7(11) . . . . ?
C58 N4 C62 C63A 171(2) . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 N4 0.0 . . . . ?
C60 C61 C62 C63 172.0(12) . . . . ?
C60 C61 C62 C63A -171(2) . . . . ?
C61 C62 C63 C64 101.8(12) . . . . ?
C61 C62 C63 C76 -71(2) . . . . ?
C61 C62 C63A C64A 87(3) . . . . ?
C61 C62 C63A C76A -90(3) . . . . ?
C62 N4 C58 C59 0.0 . . . . ?
C62 C63 C64 C65 -171.2(19) . . . . ?
C62 C63 C76 C67 171(2) . . . . ?
C62 C63 C76 C75 -7(4) . . . . ?
C62 C63A C64A C65A -176(3) . . . . ?
C62 C63A C76A C67A 176(3) . . . . ?
C62 C63A C76A C75A -1(5) . . . . ?
C44 C57 C48 C47 0.0 . . . . ?
C44 C57 C48 C49 177.6(18) . . . . ?
C44 C57 C56 C55 174.8(17) . . . . ?
C57 C44 C45 Pt2 -177.5(11) . . . . ?
C57 C44 C45 C46 0.0 . . . . ?
C57 C48 C47 C46 0.0 . . . . ?
C57 C48 C49 C50 5(3) . . . . ?
C48 C57 C56 C55 -7(3) . . . . ?
C48 C47 C46 C45 0.0 . . . . ?
C48 C49 C50 C55 -2(3) . . . . ?
C48 C49 C50 C51 175.4(17) . . . . ?
C47 C48 C49 C50 -177.2(17) . . . . ?
C47 C46 C45 Pt2 177.3(12) . . . . ?
C47 C46 C45 C44 0.0 . . . . ?
C45 C44 C57 C48 0.0 . . . . ?
C45 C44 C57 C56 178.0(19) . . . . ?
C45A C44A C57A C48A 0.0 . . . . ?
C45A C44A C57A C56A -173(3) . . . . ?
C44A C45A C46A C47A 0.0 . . . . ?
C44A C57A C48A C47A 0.0 . . . . ?
C44A C57A C48A C49A -179(3) . . . . ?
C44A C57A C56A C55A 179(3) . . . . ?
C57A C48A C47A C46A 0.0 . . . . ?
C57A C48A C49A C50A 5(6) . . . . ?
C48A C57A C56A C55A 6(4) . . . . ?
C48A C47A C46A C45A 0.0 . . . . ?
C48A C49A C50A C55A -4(5) . . . . ?
C48A C49A C50A C51A 179(3) . . . . ?
C47A C48A C49A C50A -174(3) . . . . ?
C46A C45A C44A C43A 172(2) . . . . ?
C46A C45A C44A C57A 0.0 . . . . ?
C49 C48 C47 C46 -177.8(17) . . . . ?
C49 C50 C55 C54 177(2) . . . . ?
C49 C50 C55 C56 -6(2) . . . . ?
C49 C50 C51 C52 -177(2) . . . . ?
C49A C48A C47A C46A 179(3) . . . . ?
C49A C50A C55A C54A -177(4) . . . . ?
C49A C50A C55A C56A 4(4) . . . . ?
C49A C50A C51A C52A 177(4) . . . . ?
C50 C55 C54 C53 0.0 . . . . ?
C50 C55 C56 C57 11(3) . . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C55 C54 C53 C52 0.0 . . . . ?
C54 C55 C56 C57 -172.2(18) . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C51 C50 C55 C56 177(2) . . . . ?
C50A C55A C54A C53A 0.0 . . . . ?
C50A C55A C56A C57A -5(5) . . . . ?
C55A C50A C51A C52A 0.0 . . . . ?
C55A C54A C53A C52A 0.0 . . . . ?
C54A C55A C56A C57A 176(3) . . . . ?
C54A C53A C52A C51A 0.0 . . . . ?
C53A C52A C51A C50A 0.0 . . . . ?
C51A C50A C55A C54A 0.0 . . . . ?
C51A C50A C55A C56A -179(4) . . . . ?
C56 C57 C48 C47 -178.3(17) . . . . ?
C56 C57 C48 C49 -1(2) . . . . ?
C56 C55 C54 C53 -177(2) . . . . ?
C56A C57A C48A C47A 174(3) . . . . ?
C56A C57A C48A C49A -5(3) . . . . ?
C56A C55A C54A C53A 179(4) . . . . ?
C63 C64 C65 C66 -5.5(15) . . . . ?
C63A C64A C65A C66A 0(5) . . . . ?
C64 C63 C76 C67 -1(3) . . . . ?
C64 C63 C76 C75 -179(2) . . . . ?
C64 C65 C66 C67 9(3) . . . . ?
C64A C63A C76A C67A 0(5) . . . . ?
C64A C63A C76A C75A -178(4) . . . . ?
C64A C65A C66A C67A 0(5) . . . . ?
C65 C66 C67 C68 172(2) . . . . ?
C65 C66 C67 C76 -8(4) . . . . ?
C65A C66A C67A C68A 180(3) . . . . ?
C65A C66A C67A C76A 0(5) . . . . ?
C66 C67 C68 C69 177(2) . . . . ?
C66 C67 C76 C63 5(4) . . . . ?
C66 C67 C76 C75 -177(2) . . . . ?
C66A C67A C68A C69A -174(3) . . . . ?
C66A C67A C76A C63A 1(5) . . . . ?
C66A C67A C76A C75A 178(3) . . . . ?
C67 C68 C69 C70 -175(3) . . . . ?
C67 C68 C69 C74 0(4) . . . . ?
C67A C68A C69A C70A 176(3) . . . . ?
C67A C68A C69A C74A -4(5) . . . . ?
C68 C67 C76 C63 -176(2) . . . . ?
C68 C67 C76 C75 2(4) . . . . ?
C68 C69 C70 C71 -174(3) . . . . ?
C68 C69 C74 C73 179(3) . . . . ?
C68 C69 C74 C75 2(5) . . . . ?
C68A C67A C76A C63A -180(3) . . . . ?
C68A C67A C76A C75A -2(5) . . . . ?
C68A C69A C70A C71A 179(3) . . . . ?
C68A C69A C74A C73A -177(3) . . . . ?
C68A C69A C74A C75A -2(5) . . . . ?
C69 C70 C71 C72 -10(5) . . . . ?
C69 C74 C75 C76 -2(5) . . . . ?
C69A C70A C71A C72A -1(7) . . . . ?
C69A C74A C75A C76A 7(6) . . . . ?
C70 C69 C74 C73 -5(5) . . . . ?
C70 C69 C74 C75 178(3) . . . . ?
C70 C71 C72 C73 5(5) . . . . ?
C70A C69A C74A C73A 2(5) . . . . ?
C70A C69A C74A C75A 178(3) . . . . ?
C70A C71A C72A C73A 0(7) . . . . ?
C71 C72 C73 C74 0(5) . . . . ?
C71A C72A C73A C74A 2(6) . . . . ?
C72 C73 C74 C69 1(5) . . . . ?
C72 C73 C74 C75 177(3) . . . . ?
C72A C73A C74A C69A -3(5) . . . . ?
C72A C73A C74A C75A -178(4) . . . . ?
C73 C74 C75 C76 -179(3) . . . . ?
C73A C74A C75A C76A -178(4) . . . . ?
C74 C69 C70 C71 10(5) . . . . ?
C74 C75 C76 C63 179(3) . . . . ?
C74 C75 C76 C67 0(4) . . . . ?
C74A C69A C70A C71A 0(5) . . . . ?
C74A C75A C76A C63A 173(4) . . . . ?
C74A C75A C76A C67A -5(6) . . . . ?
C76 C63 C64 C65 1.7(15) . . . . ?
C76 C67 C68 C69 -2(4) . . . . ?
C76A C63A C64A C65A 0(5) . . . . ?
C76A C67A C68A C69A 6(5) . . . . ?

# start Validation Reply Form
_vrf_PLAT973_mo_mm587_0m         
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt2       2.42 eA-3  
RESPONSE: This residual electron density is likely the result of an inadequate
absorption correction, as it is adjacent one of the Pt atoms.
;
_vrf_PLAT971_mo_mm587_0m         
;
PROBLEM: Check Calcd Resid. Dens.  0.48Ang From C31             2.61 eA-3  
RESPONSE: There are numerous, large residual electron density peaks that do not
ft any of the disorder models in this highly disordered material.  These could be
the result of a poor absorption correction, or perhaps some crystal dislocation.  
They do not appear to be the result of any twinning.
;
# end Validation Reply Form

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id ANTIPtpen
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm579_a
_database_code_depnum_ccdc_archive 'CCDC 2357029'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H21 Cl N2 Pt'
_chemical_formula_sum            'C30 H21 Cl N2 Pt'
_chemical_formula_weight         640.03
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   14.4996(19)
_cell_length_b                   14.069(2)
_cell_length_c                   22.580(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4606.4(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.70
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.670
_shelx_estimated_absorpt_T_min   0.316
_exptl_absorpt_coefficient_mu    6.231
_exptl_absorpt_correction_T_max  0.647
_exptl_absorpt_correction_T_min  0.433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1216 before and 0.0440 after correction.
The ratio of minimum to maximum transmission is 0.6693.
The λ/2 correction factor is not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2480
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            102158
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.724
_diffrn_reflns_theta_min         1.804
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.917
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.958
_reflns_number_gt                13139
_reflns_number_total             14048
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.556
_refine_diff_density_min         -4.153
_refine_diff_density_rms         0.180
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.412(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.241
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         14048
_refine_ls_number_restraints     575
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0335
_refine_ls_restrained_S_all      1.221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0026P)²+34.1336P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0714
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.588(12)
 0.412(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C38(H38), C39(H39), C40(H40), C41(H41), C43(H43), C44(H44), C46(H46),
  C47(H47), C48(H48), C49(H49), C53(H53), C54(H54), C55(H55), C56(H56),
 C58(H58), C59(H59), C60(H60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.50878(2) -0.08881(2) 0.33470(2) 0.01051(6) Uani 1 1 d . . . . .
Cl1 Cl 0.50359(19) -0.25393(15) 0.31019(16) 0.0173(5) Uani 1 1 d . . . . .
N1 N 0.3778(4) -0.0558(5) 0.3145(3) 0.0100(12) Uani 1 1 d . . . . .
N2 N 0.6398(5) -0.1138(5) 0.3612(3) 0.0114(12) Uani 1 1 d . . . . .
C1 C 0.3131(6) -0.1233(6) 0.3082(4) 0.0134(16) Uani 1 1 d . . . . .
H1 H 0.331256 -0.187899 0.304766 0.016 Uiso 1 1 calc R U . . .
C2 C 0.2209(7) -0.1005(7) 0.3068(5) 0.0149(18) Uani 1 1 d . . . . .
H2 H 0.175737 -0.148759 0.302121 0.018 Uiso 1 1 calc R U . . .
C3 C 0.1951(6) -0.0075(7) 0.3121(4) 0.0152(15) Uani 1 1 d . . . . .
H3 H 0.131636 0.009104 0.312379 0.018 Uiso 1 1 calc R U . . .
C4 C 0.2618(7) 0.0624(6) 0.3172(4) 0.0155(15) Uani 1 1 d . . . . .
H4 H 0.243947 0.127110 0.320559 0.019 Uiso 1 1 calc R U . . .
C5 C 0.3551(6) 0.0380(6) 0.3174(3) 0.0111(14) Uani 1 1 d . . . . .
C6 C 0.4359(6) 0.0996(5) 0.3302(5) 0.0101(15) Uani 1 1 d . . . . .
C7 C 0.4344(5) 0.2015(6) 0.3266(4) 0.0138(15) Uani 1 1 d . . . . .
C8 C 0.3655(8) 0.2583(7) 0.3005(5) 0.018(2) Uani 1 1 d . . . . .
H8 H 0.315464 0.228296 0.280841 0.021 Uiso 1 1 calc R U . . .
C9 C 0.3688(7) 0.3550(7) 0.3027(5) 0.0249(19) Uani 1 1 d . . . . .
H9 H 0.322201 0.391222 0.283555 0.030 Uiso 1 1 calc R U . . .
C10 C 0.4417(7) 0.4027(6) 0.3336(6) 0.0181(17) Uani 1 1 d . . . . .
H10 H 0.441332 0.469791 0.338570 0.022 Uiso 1 1 calc R U . . .
C11 C 0.5102(6) 0.3496(6) 0.3551(5) 0.0189(18) Uani 1 1 d . . . . .
H11 H 0.560217 0.379746 0.374718 0.023 Uiso 1 1 calc R U . . .
C12 C 0.5104(8) 0.2487(6) 0.3493(6) 0.017(3) Uani 1 1 d . . . . .
C13 C 0.5873(6) 0.1975(6) 0.3732(4) 0.0151(16) Uani 1 1 d . . . . .
H13 H 0.635938 0.230592 0.392398 0.018 Uiso 1 1 calc R U . . .
C14 C 0.5901(6) 0.1020(6) 0.3683(4) 0.0142(15) Uani 1 1 d . . . . .
H14 H 0.644049 0.068798 0.380220 0.017 Uiso 1 1 calc R U . . .
C15 C 0.5144(5) 0.0504(6) 0.3456(4) 0.0130(19) Uani 1 1 d . . . . .
C16 C 0.7096(7) -0.1013(6) 0.3227(4) 0.0142(19) Uani 1 1 d . . . . .
H16 H 0.696336 -0.075771 0.284699 0.017 Uiso 1 1 calc R U . . .
C17 C 0.7999(5) -0.1242(6) 0.3365(6) 0.0146(14) Uani 1 1 d . . . . .
H17 H 0.847685 -0.116789 0.308091 0.017 Uiso 1 1 calc R U . . .
C18 C 0.8189(6) -0.1584(7) 0.3931(4) 0.0170(16) Uani 1 1 d . . . . .
H18 H 0.880190 -0.174273 0.404311 0.020 Uiso 1 1 calc R U . . .
C19 C 0.7466(6) -0.1689(7) 0.4329(4) 0.0191(18) Uani 1 1 d . . . . .
H19 H 0.758395 -0.191540 0.471800 0.023 Uiso 1 1 calc R U . . .
C20 C 0.6568(6) -0.1464(6) 0.4158(4) 0.0140(15) Uani 1 1 d . . . . .
C21 C 0.5785(6) -0.1600(7) 0.4570(4) 0.0136(16) Uani 1 1 d . . . . .
C22 C 0.5474(8) -0.2530(6) 0.4718(5) 0.0150(19) Uani 1 1 d . . . . .
C23 C 0.5866(7) -0.3372(7) 0.4458(5) 0.0155(18) Uani 1 1 d . . . . .
H23 H 0.635499 -0.332316 0.417987 0.019 Uiso 1 1 calc R U . . .
C24 C 0.5533(7) -0.4224(7) 0.4611(5) 0.0199(18) Uani 1 1 d . . . . .
H24 H 0.578360 -0.477398 0.442802 0.024 Uiso 1 1 calc R U . . .
C25 C 0.4822(8) -0.4339(7) 0.5037(5) 0.0252(19) Uani 1 1 d . . . . .
H25 H 0.460719 -0.495456 0.514133 0.030 Uiso 1 1 calc R U . . .
C26 C 0.4451(7) -0.3546(8) 0.5295(5) 0.0229(19) Uani 1 1 d . . . . .
H26 H 0.398207 -0.361586 0.558584 0.027 Uiso 1 1 calc R U . . .
C27 C 0.4751(6) -0.2631(7) 0.5139(4) 0.0154(16) Uani 1 1 d . . . . .
C28 C 0.4346(6) -0.1813(7) 0.5391(4) 0.0196(17) Uani 1 1 d . . . . .
H28 H 0.386050 -0.187895 0.567079 0.024 Uiso 1 1 calc R U . . .
C29 C 0.4647(6) -0.0931(7) 0.5235(4) 0.0169(17) Uani 1 1 d . . . . .
H29 H 0.438250 -0.038256 0.541253 0.020 Uiso 1 1 calc R U . . .
C30 C 0.5357(6) -0.0836(7) 0.4806(5) 0.0157(17) Uani 1 1 d . . . . .
H30 H 0.553725 -0.021804 0.468243 0.019 Uiso 1 1 calc R U . . .
Pt2 Pt 0.74366(2) 0.09326(2) 0.65742(2) 0.01183(6) Uani 1 1 d . . . . .
Cl2 Cl 0.74824(17) 0.25927(15) 0.68320(15) 0.0140(5) Uani 1 1 d . . . . .
N3 N 0.8739(5) 0.0624(5) 0.6784(3) 0.0134(13) Uani 1 1 d . . . . .
N4 N 0.6128(5) 0.1168(5) 0.6298(3) 0.0119(12) Uani 1 1 d . . . . .
C31 C 0.9381(6) 0.1290(6) 0.6866(4) 0.0152(17) Uani 1 1 d . . . . .
H31 H 0.919464 0.193536 0.689402 0.018 Uiso 1 1 calc R U . . .
C32 C 1.0321(7) 0.1069(7) 0.6912(5) 0.0162(18) Uani 1 1 d . . . . .
H32 H 1.077052 0.155239 0.696821 0.019 Uiso 1 1 calc R U . . .
C33 C 1.0569(6) 0.0127(7) 0.6874(4) 0.0177(16) Uani 1 1 d . . . . .
H33 H 1.119969 -0.005179 0.689489 0.021 Uiso 1 1 calc R U . . .
C34 C 0.9889(7) -0.0563(6) 0.6803(4) 0.0173(16) Uani 1 1 d . . . . .
H34 H 1.006137 -0.121379 0.677902 0.021 Uiso 1 1 calc R U . . .
C35 C 0.8977(6) -0.0320(6) 0.6768(4) 0.0129(14) Uani 1 1 d . . . . .
C36 C 0.8199(6) -0.0941(6) 0.6674(4) 0.0114(17) Uani 1 1 d . . . . .
C37 C 0.8180(6) -0.1955(6) 0.6705(4) 0.0155(16) Uani 1 1 d . . . . .
C38 C 0.8861(9) -0.2507(6) 0.7014(6) 0.016(2) Uani 1 1 d . . . . .
H38 H 0.934705 -0.219131 0.721644 0.020 Uiso 1 1 calc R U . . .
C39 C 0.8822(7) -0.3475(7) 0.7024(5) 0.0234(19) Uani 1 1 d . . . . .
H39 H 0.929281 -0.381689 0.722499 0.028 Uiso 1 1 calc R U . . .
C40 C 0.8123(8) -0.3975(8) 0.6751(4) 0.021(2) Uani 1 1 d . . . . .
H40 H 0.811748 -0.465024 0.675690 0.025 Uiso 1 1 calc R U . . .
C41 C 0.7416(6) -0.3464(7) 0.6462(5) 0.023(2) Uani 1 1 d . . . . .
H41 H 0.692774 -0.380736 0.627948 0.028 Uiso 1 1 calc R U . . .
C42 C 0.7409(9) -0.2458(7) 0.6434(6) 0.020(3) Uani 1 1 d . . . . .
C43 C 0.6664(6) -0.1946(7) 0.6220(4) 0.0187(17) Uani 1 1 d . . . . .
H43 H 0.615875 -0.227552 0.604830 0.022 Uiso 1 1 calc R U . . .
C44 C 0.6642(6) -0.0971(7) 0.6250(4) 0.0175(17) Uani 1 1 d . . . . .
H44 H 0.610551 -0.064140 0.612184 0.021 Uiso 1 1 calc R U . . .
C45 C 0.7394(5) -0.0454(6) 0.6465(4) 0.0125(19) Uani 1 1 d . . . . .
C46 C 0.5422(6) 0.1022(7) 0.6684(4) 0.0145(19) Uani 1 1 d . . . . .
H46 H 0.554971 0.076949 0.706564 0.017 Uiso 1 1 calc R U . . .
C47 C 0.4530(6) 0.1233(6) 0.6534(6) 0.0160(15) Uani 1 1 d . . . . .
H47 H 0.404618 0.112519 0.680952 0.019 Uiso 1 1 calc R U . . .
C48 C 0.4334(6) 0.1600(7) 0.5982(4) 0.0169(16) Uani 1 1 d . . . . .
H48 H 0.371736 0.174584 0.587130 0.020 Uiso 1 1 calc R U . . .
C49 C 0.5052(6) 0.1752(7) 0.5595(5) 0.0197(18) Uani 1 1 d . . . . .
H49 H 0.493353 0.200633 0.521242 0.024 Uiso 1 1 calc R U . . .
C50 C 0.5953(6) 0.1532(6) 0.5761(4) 0.0127(14) Uani 1 1 d . . . . .
C51 C 0.6745(6) 0.1707(7) 0.5356(4) 0.0139(16) Uani 1 1 d . . . . .
C52 C 0.7012(7) 0.2646(7) 0.5217(5) 0.0128(17) Uani 1 1 d . . . . .
C53 C 0.6625(7) 0.3442(7) 0.5480(5) 0.0190(19) Uani 1 1 d . . . . .
H53 H 0.614832 0.336358 0.576429 0.023 Uiso 1 1 calc R U . . .
C54 C 0.6919(7) 0.4348(7) 0.5337(5) 0.025(2) Uani 1 1 d . . . . .
H54 H 0.664666 0.488631 0.552170 0.030 Uiso 1 1 calc R U . . .
C55 C 0.7619(9) 0.4466(8) 0.4920(5) 0.0269(19) Uani 1 1 d . . . . .
H55 H 0.780067 0.508901 0.480796 0.032 Uiso 1 1 calc R U . . .
C56 C 0.8043(7) 0.3705(7) 0.4671(5) 0.0193(18) Uani 1 1 d . . . . .
H56 H 0.853713 0.380085 0.440137 0.023 Uiso 1 1 calc R U . . .
C57 C 0.7761(6) 0.2780(7) 0.4809(4) 0.0174(16) Uani 1 1 d . . . . .
C58 C 0.8193(6) 0.1980(7) 0.4563(4) 0.0198(17) Uani 1 1 d . . . . .
H58 H 0.868131 0.206712 0.428788 0.024 Uiso 1 1 calc R U . . .
C59 C 0.7931(7) 0.1099(7) 0.4706(5) 0.0194(18) Uani 1 1 d . . . . .
H59 H 0.825213 0.057267 0.454251 0.023 Uiso 1 1 calc R U . . .
C60 C 0.7184(7) 0.0932(7) 0.5098(4) 0.0151(16) Uani 1 1 d . . . . .
H60 H 0.698647 0.030287 0.518237 0.018 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.389(2) . ?
Pt1 N1 2.008(6) . ?
Pt1 N2 2.023(7) . ?
Pt1 C15 1.976(9) . ?
N1 C1 1.343(11) . ?
N1 C5 1.361(11) . ?
N2 C16 1.346(12) . ?
N2 C20 1.338(11) . ?
C1 H1 0.9500 . ?
C1 C2 1.374(13) . ?
C2 H2 0.9500 . ?
C2 C3 1.365(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.397(12) . ?
C5 C6 1.484(11) . ?
C6 C7 1.436(11) . ?
C6 C15 1.377(11) . ?
C7 C8 1.408(14) . ?
C7 C12 1.384(13) . ?
C8 H8 0.9500 . ?
C8 C9 1.363(14) . ?
C9 H9 0.9500 . ?
C9 C10 1.434(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.335(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.425(11) . ?
C12 C13 1.433(15) . ?
C13 H13 0.9500 . ?
C13 C14 1.349(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.412(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(13) . ?
C19 H19 0.9500 . ?
C19 C20 1.395(12) . ?
C20 C21 1.480(13) . ?
C21 C22 1.424(13) . ?
C21 C30 1.351(13) . ?
C22 C23 1.438(13) . ?
C22 C27 1.423(15) . ?
C23 H23 0.9500 . ?
C23 C24 1.337(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.420(15) . ?
C25 H25 0.9500 . ?
C25 C26 1.369(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.403(14) . ?
C27 C28 1.412(13) . ?
C28 H28 0.9500 . ?
C28 C29 1.362(14) . ?
C29 H29 0.9500 . ?
C29 C30 1.421(14) . ?
C30 H30 0.9500 . ?
Pt2 Cl2 2.408(2) . ?
Pt2 N3 1.995(7) . ?
Pt2 N4 2.025(7) . ?
Pt2 C45 1.968(9) . ?
N3 C31 1.333(11) . ?
N3 C35 1.373(11) . ?
N4 C46 1.361(11) . ?
N4 C50 1.340(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.402(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.377(13) . ?
C33 H33 0.9500 . ?
C33 C34 1.393(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.368(12) . ?
C35 C36 1.444(11) . ?
C36 C37 1.428(12) . ?
C36 C45 1.433(11) . ?
C37 C38 1.438(14) . ?
C37 C42 1.458(15) . ?
C38 H38 0.9500 . ?
C38 C39 1.363(12) . ?
C39 H39 0.9500 . ?
C39 C40 1.380(14) . ?
C40 H40 0.9500 . ?
C40 C41 1.412(14) . ?
C41 H41 0.9500 . ?
C41 C42 1.417(13) . ?
C42 C43 1.385(16) . ?
C43 H43 0.9500 . ?
C43 C44 1.374(13) . ?
C44 H44 0.9500 . ?
C44 C45 1.398(12) . ?
C46 H46 0.9500 . ?
C46 C47 1.369(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.379(15) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(13) . ?
C49 H49 0.9500 . ?
C49 C50 1.394(12) . ?
C50 C51 1.487(12) . ?
C51 C52 1.412(13) . ?
C51 C60 1.390(13) . ?
C52 C53 1.386(14) . ?
C52 C57 1.437(14) . ?
C53 H53 0.9500 . ?
C53 C54 1.382(15) . ?
C54 H54 0.9500 . ?
C54 C55 1.394(16) . ?
C55 H55 0.9500 . ?
C55 C56 1.357(15) . ?
C56 H56 0.9500 . ?
C56 C57 1.400(13) . ?
C57 C58 1.402(13) . ?
C58 H58 0.9500 . ?
C58 C59 1.337(14) . ?
C59 H59 0.9500 . ?
C59 C60 1.418(13) . ?
C60 H60 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Cl1 98.2(2) . . ?
N1 Pt1 N2 174.8(3) . . ?
N2 Pt1 Cl1 85.9(2) . . ?
C15 Pt1 Cl1 173.7(3) . . ?
C15 Pt1 N1 80.7(3) . . ?
C15 Pt1 N2 95.6(3) . . ?
C1 N1 Pt1 121.4(6) . . ?
C1 N1 C5 121.5(7) . . ?
C5 N1 Pt1 116.2(5) . . ?
C16 N2 Pt1 119.4(6) . . ?
C20 N2 Pt1 120.3(6) . . ?
C20 N2 C16 120.2(7) . . ?
N1 C1 H1 119.4 . . ?
N1 C1 C2 121.1(8) . . ?
C2 C1 H1 119.4 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.2(8) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(8) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(8) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 118.1(7) . . ?
N1 C5 C6 112.6(7) . . ?
C4 C5 C6 128.5(8) . . ?
C7 C6 C5 124.1(8) . . ?
C15 C6 C5 114.1(7) . . ?
C15 C6 C7 121.8(8) . . ?
C8 C7 C6 126.9(8) . . ?
C12 C7 C6 116.6(8) . . ?
C12 C7 C8 116.5(8) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 C7 121.8(10) . . ?
C9 C8 H8 119.1 . . ?
C8 C9 H9 119.6 . . ?
C8 C9 C10 120.7(9) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 121.2 . . ?
C11 C10 C9 117.6(8) . . ?
C11 C10 H10 121.2 . . ?
C10 C11 H11 119.1 . . ?
C10 C11 C12 121.7(9) . . ?
C12 C11 H11 119.1 . . ?
C7 C12 C11 120.7(10) . . ?
C7 C12 C13 121.1(7) . . ?
C11 C12 C13 117.9(9) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(8) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(8) . . ?
C15 C14 H14 119.4 . . ?
C6 C15 Pt1 115.6(6) . . ?
C6 C15 C14 118.5(8) . . ?
C14 C15 Pt1 125.9(6) . . ?
N2 C16 H16 118.8 . . ?
N2 C16 C17 122.4(9) . . ?
C17 C16 H16 118.8 . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.3(9) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 H18 120.6 . . ?
C19 C18 C17 118.7(8) . . ?
C19 C18 H18 120.6 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(9) . . ?
C20 C19 H19 119.9 . . ?
N2 C20 C19 120.2(8) . . ?
N2 C20 C21 118.9(7) . . ?
C19 C20 C21 120.9(8) . . ?
C22 C21 C20 120.6(9) . . ?
C30 C21 C20 119.8(9) . . ?
C30 C21 C22 119.6(9) . . ?
C21 C22 C23 122.4(10) . . ?
C27 C22 C21 118.8(9) . . ?
C27 C22 C23 118.8(9) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.3(10) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 118.7 . . ?
C23 C24 C25 122.7(10) . . ?
C25 C24 H24 118.7 . . ?
C24 C25 H25 120.6 . . ?
C26 C25 C24 118.7(9) . . ?
C26 C25 H25 120.6 . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.3(10) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C22 119.2(9) . . ?
C26 C27 C28 121.1(9) . . ?
C28 C27 C22 119.7(9) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(9) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.6(9) . . ?
C30 C29 H29 120.2 . . ?
C21 C30 C29 121.8(9) . . ?
C21 C30 H30 119.1 . . ?
C29 C30 H30 119.1 . . ?
N3 Pt2 Cl2 97.3(2) . . ?
N3 Pt2 N4 174.8(3) . . ?
N4 Pt2 Cl2 86.7(2) . . ?
C45 Pt2 Cl2 173.2(3) . . ?
C45 Pt2 N3 81.0(3) . . ?
C45 Pt2 N4 95.4(3) . . ?
C31 N3 Pt2 122.7(6) . . ?
C31 N3 C35 120.5(7) . . ?
C35 N3 Pt2 116.3(6) . . ?
C46 N4 Pt2 118.8(6) . . ?
C50 N4 Pt2 121.2(6) . . ?
C50 N4 C46 119.7(7) . . ?
N3 C31 H31 118.9 . . ?
N3 C31 C32 122.3(8) . . ?
C32 C31 H31 118.9 . . ?
C31 C32 H32 121.2 . . ?
C33 C32 C31 117.5(9) . . ?
C33 C32 H32 121.2 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.6(8) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 H34 119.5 . . ?
C35 C34 C33 121.0(8) . . ?
C35 C34 H34 119.5 . . ?
N3 C35 C36 113.1(7) . . ?
C34 C35 N3 118.9(8) . . ?
C34 C35 C36 127.8(8) . . ?
C37 C36 C35 127.8(8) . . ?
C37 C36 C45 118.5(8) . . ?
C45 C36 C35 113.3(8) . . ?
C36 C37 C38 123.4(8) . . ?
C36 C37 C42 118.7(8) . . ?
C38 C37 C42 117.9(9) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 C37 121.3(10) . . ?
C39 C38 H38 119.4 . . ?
C38 C39 H39 118.9 . . ?
C38 C39 C40 122.2(10) . . ?
C40 C39 H39 118.9 . . ?
C39 C40 H40 120.6 . . ?
C39 C40 C41 118.8(10) . . ?
C41 C40 H40 120.6 . . ?
C40 C41 H41 118.9 . . ?
C40 C41 C42 122.3(10) . . ?
C42 C41 H41 118.9 . . ?
C41 C42 C37 117.5(11) . . ?
C43 C42 C37 119.4(8) . . ?
C43 C42 C41 122.8(10) . . ?
C42 C43 H43 119.3 . . ?
C44 C43 C42 121.4(9) . . ?
C44 C43 H43 119.3 . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.2(9) . . ?
C45 C44 H44 119.4 . . ?
C36 C45 Pt2 114.0(6) . . ?
C44 C45 Pt2 125.7(6) . . ?
C44 C45 C36 120.1(8) . . ?
N4 C46 H46 119.4 . . ?
N4 C46 C47 121.2(9) . . ?
C47 C46 H46 119.4 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(9) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.8 . . ?
C49 C48 C47 118.4(8) . . ?
C49 C48 H48 120.8 . . ?
C48 C49 H49 119.9 . . ?
C48 C49 C50 120.3(9) . . ?
C50 C49 H49 119.9 . . ?
N4 C50 C49 120.3(8) . . ?
N4 C50 C51 118.2(8) . . ?
C49 C50 C51 121.5(8) . . ?
C52 C51 C50 120.2(8) . . ?
C60 C51 C50 118.8(8) . . ?
C60 C51 C52 121.0(9) . . ?
C51 C52 C57 118.2(9) . . ?
C53 C52 C51 123.4(10) . . ?
C53 C52 C57 118.3(9) . . ?
C52 C53 H53 119.3 . . ?
C54 C53 C52 121.4(10) . . ?
C54 C53 H53 119.3 . . ?
C53 C54 H54 120.3 . . ?
C53 C54 C55 119.4(10) . . ?
C55 C54 H54 120.3 . . ?
C54 C55 H55 119.5 . . ?
C56 C55 C54 121.1(10) . . ?
C56 C55 H55 119.5 . . ?
C55 C56 H56 119.7 . . ?
C55 C56 C57 120.6(10) . . ?
C57 C56 H56 119.7 . . ?
C56 C57 C52 119.1(9) . . ?
C56 C57 C58 121.8(9) . . ?
C58 C57 C52 119.1(9) . . ?
C57 C58 H58 119.3 . . ?
C59 C58 C57 121.4(9) . . ?
C59 C58 H58 119.3 . . ?
C58 C59 H59 119.3 . . ?
C58 C59 C60 121.4(9) . . ?
C60 C59 H59 119.3 . . ?
C51 C60 C59 118.8(9) . . ?
C51 C60 H60 120.6 . . ?
C59 C60 H60 120.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 166.2(8) . . . . ?
Pt1 N1 C5 C4 -165.6(6) . . . . ?
Pt1 N1 C5 C6 5.1(9) . . . . ?
Pt1 N2 C16 C17 -174.8(7) . . . . ?
Pt1 N2 C20 C19 176.2(7) . . . . ?
Pt1 N2 C20 C21 -2.4(11) . . . . ?
N1 C1 C2 C3 -0.4(15) . . . . ?
N1 C5 C6 C7 170.0(9) . . . . ?
N1 C5 C6 C15 -9.6(12) . . . . ?
N2 C16 C17 C18 -2.2(13) . . . . ?
N2 C20 C21 C22 107.5(11) . . . . ?
N2 C20 C21 C30 -72.2(12) . . . . ?
C1 N1 C5 C4 3.7(12) . . . . ?
C1 N1 C5 C6 174.4(8) . . . . ?
C1 C2 C3 C4 1.8(15) . . . . ?
C2 C3 C4 C5 -0.6(13) . . . . ?
C3 C4 C5 N1 -2.1(12) . . . . ?
C3 C4 C5 C6 -171.2(9) . . . . ?
C4 C5 C6 C7 -20.4(16) . . . . ?
C4 C5 C6 C15 160.0(9) . . . . ?
C5 N1 C1 C2 -2.5(14) . . . . ?
C5 C6 C7 C8 -13.1(17) . . . . ?
C5 C6 C7 C12 169.6(10) . . . . ?
C5 C6 C15 Pt1 9.7(11) . . . . ?
C5 C6 C15 C14 -169.4(8) . . . . ?
C6 C7 C8 C9 176.2(11) . . . . ?
C6 C7 C12 C11 -171.6(10) . . . . ?
C6 C7 C12 C13 1.9(16) . . . . ?
C7 C6 C15 Pt1 -169.9(8) . . . . ?
C7 C6 C15 C14 11.0(15) . . . . ?
C7 C8 C9 C10 -2.0(18) . . . . ?
C7 C12 C13 C14 6.7(17) . . . . ?
C8 C7 C12 C11 10.8(17) . . . . ?
C8 C7 C12 C13 -175.7(11) . . . . ?
C8 C9 C10 C11 6.1(17) . . . . ?
C9 C10 C11 C12 -1.7(17) . . . . ?
C10 C11 C12 C7 -6.9(18) . . . . ?
C10 C11 C12 C13 179.4(11) . . . . ?
C11 C12 C13 C14 -179.6(10) . . . . ?
C12 C7 C8 C9 -6.5(17) . . . . ?
C12 C13 C14 C15 -6.8(15) . . . . ?
C13 C14 C15 Pt1 179.1(7) . . . . ?
C13 C14 C15 C6 -1.9(14) . . . . ?
C15 C6 C7 C8 166.5(10) . . . . ?
C15 C6 C7 C12 -10.9(16) . . . . ?
C16 N2 C20 C19 -1.0(13) . . . . ?
C16 N2 C20 C21 -179.6(8) . . . . ?
C16 C17 C18 C19 0.7(13) . . . . ?
C17 C18 C19 C20 0.7(14) . . . . ?
C18 C19 C20 N2 -0.5(14) . . . . ?
C18 C19 C20 C21 178.1(9) . . . . ?
C19 C20 C21 C22 -71.1(13) . . . . ?
C19 C20 C21 C30 109.2(11) . . . . ?
C20 N2 C16 C17 2.4(13) . . . . ?
C20 C21 C22 C23 -3.1(16) . . . . ?
C20 C21 C22 C27 176.8(9) . . . . ?
C20 C21 C30 C29 -175.5(9) . . . . ?
C21 C22 C23 C24 -179.2(9) . . . . ?
C21 C22 C27 C26 -178.9(9) . . . . ?
C21 C22 C27 C28 1.2(15) . . . . ?
C22 C21 C30 C29 4.8(15) . . . . ?
C22 C23 C24 C25 -1.9(16) . . . . ?
C22 C27 C28 C29 -0.3(14) . . . . ?
C23 C22 C27 C26 1.1(15) . . . . ?
C23 C22 C27 C28 -178.8(9) . . . . ?
C23 C24 C25 C26 1.0(16) . . . . ?
C24 C25 C26 C27 1.1(15) . . . . ?
C25 C26 C27 C22 -2.1(15) . . . . ?
C25 C26 C27 C28 177.8(9) . . . . ?
C26 C27 C28 C29 179.8(9) . . . . ?
C27 C22 C23 C24 0.8(16) . . . . ?
C27 C28 C29 C30 1.5(14) . . . . ?
C28 C29 C30 C21 -3.8(15) . . . . ?
C30 C21 C22 C23 176.6(10) . . . . ?
C30 C21 C22 C27 -3.5(15) . . . . ?
Pt2 N3 C31 C32 -168.8(7) . . . . ?
Pt2 N3 C35 C34 168.5(7) . . . . ?
Pt2 N3 C35 C36 -7.5(10) . . . . ?
Pt2 N4 C46 C47 175.4(7) . . . . ?
Pt2 N4 C50 C49 -175.5(7) . . . . ?
Pt2 N4 C50 C51 3.6(11) . . . . ?
N3 C31 C32 C33 -0.4(15) . . . . ?
N3 C35 C36 C37 -171.8(9) . . . . ?
N3 C35 C36 C45 15.3(11) . . . . ?
N4 C46 C47 C48 -0.1(14) . . . . ?
N4 C50 C51 C52 -110.7(10) . . . . ?
N4 C50 C51 C60 72.3(12) . . . . ?
C31 N3 C35 C34 -3.8(13) . . . . ?
C31 N3 C35 C36 -179.8(8) . . . . ?
C31 C32 C33 C34 -1.3(15) . . . . ?
C32 C33 C34 C35 0.4(15) . . . . ?
C33 C34 C35 N3 2.2(14) . . . . ?
C33 C34 C35 C36 177.5(9) . . . . ?
C34 C35 C36 C37 12.7(16) . . . . ?
C34 C35 C36 C45 -160.3(9) . . . . ?
C35 N3 C31 C32 3.0(14) . . . . ?
C35 C36 C37 C38 20.4(15) . . . . ?
C35 C36 C37 C42 -162.6(10) . . . . ?
C35 C36 C45 Pt2 -16.3(10) . . . . ?
C35 C36 C45 C44 168.2(8) . . . . ?
C36 C37 C38 C39 -178.9(10) . . . . ?
C36 C37 C42 C41 178.9(10) . . . . ?
C36 C37 C42 C43 -7.9(16) . . . . ?
C37 C36 C45 Pt2 170.0(7) . . . . ?
C37 C36 C45 C44 -5.4(13) . . . . ?
C37 C38 C39 C40 -1.5(18) . . . . ?
C37 C42 C43 C44 0.9(17) . . . . ?
C38 C37 C42 C41 -4.0(15) . . . . ?
C38 C37 C42 C43 169.2(11) . . . . ?
C38 C39 C40 C41 -1.2(16) . . . . ?
C39 C40 C41 C42 1.1(16) . . . . ?
C40 C41 C42 C37 1.5(17) . . . . ?
C40 C41 C42 C43 -171.5(11) . . . . ?
C41 C42 C43 C44 173.7(11) . . . . ?
C42 C37 C38 C39 4.1(16) . . . . ?
C42 C43 C44 C45 3.9(16) . . . . ?
C43 C44 C45 Pt2 -176.5(7) . . . . ?
C43 C44 C45 C36 -1.6(14) . . . . ?
C45 C36 C37 C38 -167.0(9) . . . . ?
C45 C36 C37 C42 10.0(14) . . . . ?
C46 N4 C50 C49 -0.8(13) . . . . ?
C46 N4 C50 C51 178.3(8) . . . . ?
C46 C47 C48 C49 -0.4(14) . . . . ?
C47 C48 C49 C50 0.2(14) . . . . ?
C48 C49 C50 N4 0.4(14) . . . . ?
C48 C49 C50 C51 -178.7(9) . . . . ?
C49 C50 C51 C52 68.3(13) . . . . ?
C49 C50 C51 C60 -108.6(11) . . . . ?
C50 N4 C46 C47 0.6(13) . . . . ?
C50 C51 C52 C53 6.0(16) . . . . ?
C50 C51 C52 C57 -178.0(9) . . . . ?
C50 C51 C60 C59 179.2(9) . . . . ?
C51 C52 C53 C54 178.9(10) . . . . ?
C51 C52 C57 C56 -179.2(9) . . . . ?
C51 C52 C57 C58 0.5(14) . . . . ?
C52 C51 C60 C59 2.3(15) . . . . ?
C52 C53 C54 C55 0.0(16) . . . . ?
C52 C57 C58 C59 -1.1(14) . . . . ?
C53 C52 C57 C56 -3.0(15) . . . . ?
C53 C52 C57 C58 176.7(9) . . . . ?
C53 C54 C55 C56 -2.9(16) . . . . ?
C54 C55 C56 C57 2.8(16) . . . . ?
C55 C56 C57 C52 0.2(15) . . . . ?
C55 C56 C57 C58 -179.5(9) . . . . ?
C56 C57 C58 C59 178.6(10) . . . . ?
C57 C52 C53 C54 2.9(16) . . . . ?
C57 C58 C59 C60 2.3(15) . . . . ?
C58 C59 C60 C51 -2.9(15) . . . . ?
C60 C51 C52 C53 -177.2(9) . . . . ?
C60 C51 C52 C57 -1.1(15) . . . . ?

# end Validation Reply Form
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id NAPPtpen
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.588(12)
2 0.412(12)

_vrf_PLAT213_mm579_a             
;
PROBLEM: Atom C12             has ADP max/min Ratio .....        4.3 prolat
RESPONSE: There are large positive and negative residual electron density
peaks in positions that are not entirely consistent with absorption effects.
One possible explanation is that the structure crystallizes in space group
Pna2(1), with two crystallographically independent molecules in the asymmetric
unit.  These two molecules are related by a pseudo-inversion center at x=0.125,
y=0, z=0.  This can give rise to large correlation effects in terms of ADPs
and geometries.  It is also possible that it would give rise to large residual
electron density peaks unassociated with any particular atoms.
;
# start Validation Reply Form
_vrf_PLAT971_mm579_a             
;
PROBLEM: Check Calcd Resid. Dens.  2.28Ang From Cl1             3.75 eA-3  
RESPONSE: There are large positive and negative residual electron density
peaks in positions that are not entirely consistent with absorption effects.
One possible explanation is that the structure crystallizes in space group
Pna2(1), with two crystallographically independent molecules in the asymmetric
unit.  These two molecules are related by a pseudo-inversion center at x=0.125,
y=0, z=0.  This can give rise to large correlation effects in terms of ADPs
and geometries.  It is also possible that it would give rise to large residual
electron density peaks unassociated with any particular atoms.
;
_vrf_PLAT972_mm579_a             
;
PROBLEM: Check Calcd Resid. Dens.  2.24Ang From Cl1            -4.99 eA-3  
RESPONSE: There are large positive and negative residual electron density
peaks in positions that are not entirely consistent with absorption effects.
One possible explanation is that the structure crystallizes in space group
Pna2(1), with two crystallographically independent molecules in the asymmetric
unit.  These two molecules are related by a pseudo-inversion center at x=0.125,
y=0, z=0.  This can give rise to large correlation effects in terms of ADPs
and geometries.  It is also possible that it would give rise to large residual
electron density peaks unassociated with any particular atoms.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm574_sq_sq_sq
_database_code_depnum_ccdc_archive 'CCDC 2357030'
loop_
_audit_author_name
_audit_author_address
'Seiya Ota'
;The university of British Columbia
Canada
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_audit_creation_date             2024-04-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C38 H24 Cl2 N2 Pt, 0.331(C H2 Cl2), 0.25[], 0.125[], 0.125[]'
_chemical_formula_sum            'C38.33 H24.66 Cl2.66 N2 Pt'
_chemical_formula_weight         802.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.839(3)
_cell_length_b                   19.399(3)
_cell_length_c                   16.667(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.571(2)
_cell_angle_gamma                90
_cell_volume                     6962.8(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.16
_shelx_estimated_absorpt_T_max   0.848
_shelx_estimated_absorpt_T_min   0.203
_exptl_absorpt_coefficient_mu    4.263
_exptl_absorpt_correction_T_max  0.843
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0650 before and 0.0485 after correction.
The Ratio of minimum to maximum transmission is 0.6980.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3135
_exptl_crystal_recrystallization_method 
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            105825
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.340
_diffrn_reflns_theta_min         1.239
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12393
_reflns_number_total             17243
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         7.635
_refine_diff_density_min         -6.032
_refine_diff_density_rms         0.243
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     853
_refine_ls_number_reflns         17243
_refine_ls_number_restraints     882
_refine_ls_R_factor_all          0.1245
_refine_ls_R_factor_gt           0.0831
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+298.2174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.1945
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9390(8)
 0.0610(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Restrained distances
 Cl6-C77 \\sim Cl5-C77
 with sigma of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C47A)=Sof(C52A)=Sof(C51A)=Sof(H51A)=Sof(C50A)=Sof(H50A)=Sof(C49A)=
 Sof(H49A)=Sof(C48A)=Sof(H48A)=Sof(C53A)=Sof(H53A)=Sof(C54A)=Sof(H55A)=1-FVAR(1)
 Sof(C47)=Sof(C52)=Sof(C51)=Sof(H51)=Sof(C50)=Sof(H50)=Sof(C49)=Sof(H49)=
 Sof(C48)=Sof(H48)=Sof(C53)=Sof(H53)=Sof(C54)=Sof(H55)=FVAR(1)
 Sof(Cl5)=Sof(Cl6)=Sof(C77)=Sof(H77A)=Sof(H77B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C77(H77A,H77B)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C26(H26), C27(H27), C28(H28), C30(H30), C32(H32), C33(H33), C34(H34),
 C35(H35), C39(H39), C40(H40), C41(H41), C42(H42), C46(H46), C51(H51), C50(H50),
  C49(H49), C48(H48), C51A(H51A), C50A(H50A), C49A(H49A), C48A(H48A), C53(H53),
 C53A(H53A), C55(H55A), C55(H55), C56(H56), C58(H58), C59(H59), C60(H60),
 C61(H61), C64(H64), C65(H65), C66(H66), C68(H68), C70(H70), C71(H71), C72(H72),
  C73(H73)
6.c Fitted hexagon refined as free rotating group:
 C47(C52,C51,C50,C49,C48), C47A(C52A,C51A,C50A,C49A,C48A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.42637(2) 0.74662(3) 0.46573(2) 0.02563(11) Uani 1 1 d . . . . .
Cl1 Cl 1.34871(16) 0.67242(19) 0.38484(18) 0.0376(7) Uani 1 1 d . . . . .
Cl2 Cl 1.48067(16) 0.64528(18) 0.53162(19) 0.0368(7) Uani 1 1 d . . . . .
N1 N 1.4683(4) 0.7482(5) 0.3666(5) 0.0217(17) Uani 1 1 d . . . . .
N2 N 1.3777(5) 0.7460(6) 0.5608(5) 0.0276(19) Uani 1 1 d . . . . .
C1 C 1.5008(6) 0.6931(7) 0.3460(7) 0.032(2) Uani 1 1 d . . . . .
H1 H 1.506594 0.654610 0.381741 0.038 Uiso 1 1 calc R U . . .
C2 C 1.5256(7) 0.6908(8) 0.2751(8) 0.039(3) Uani 1 1 d . . . . .
H2 H 1.547820 0.651650 0.261146 0.046 Uiso 1 1 calc R U . . .
C3 C 1.5167(6) 0.7479(7) 0.2258(7) 0.032(2) Uani 1 1 d . . . . .
H3 H 1.535948 0.749241 0.178737 0.038 Uiso 1 1 calc R U . . .
C4 C 1.4815(6) 0.8027(7) 0.2415(8) 0.033(2) Uani 1 1 d . . . . .
H4 H 1.473656 0.839827 0.203980 0.040 Uiso 1 1 calc R U . . .
C5 C 1.4565(6) 0.8030(6) 0.3161(7) 0.027(2) Uani 1 1 d . . . . .
C6 C 1.4108(6) 0.8509(7) 0.3397(7) 0.029(2) Uani 1 1 d . . . . .
C7 C 1.3852(6) 0.9105(7) 0.2941(7) 0.031(2) Uani 1 1 d . . . . .
C8 C 1.4143(7) 0.9442(7) 0.2368(8) 0.039(3) Uani 1 1 d . . . . .
H8 H 1.455742 0.932297 0.232129 0.047 Uiso 1 1 calc R U . . .
C9 C 1.3829(7) 0.9964(7) 0.1851(9) 0.043(3) Uani 1 1 d . . . . .
C10 C 1.4081(8) 1.0239(9) 0.1188(10) 0.051(3) Uani 1 1 d . . . . .
H10 H 1.448547 1.010152 0.111273 0.061 Uiso 1 1 calc R U . . .
C11 C 1.3767(9) 1.0688(9) 0.0665(12) 0.063(4) Uani 1 1 d . . . . .
H11 H 1.395357 1.086610 0.023324 0.076 Uiso 1 1 calc R U . . .
C12 C 1.3160(9) 1.0900(10) 0.0746(13) 0.069(5) Uani 1 1 d . . . . .
H12 H 1.293168 1.120101 0.035715 0.083 Uiso 1 1 calc R U . . .
C13 C 1.2903(9) 1.0663(9) 0.1404(12) 0.062(4) Uani 1 1 d . . . . .
H13 H 1.250468 1.082149 0.147804 0.075 Uiso 1 1 calc R U . . .
C14 C 1.3233(7) 1.0178(7) 0.1974(10) 0.043(3) Uani 1 1 d . . . . .
C15 C 1.2976(7) 0.9908(8) 0.2622(10) 0.045(3) Uani 1 1 d . . . . .
H15 H 1.259794 1.009307 0.273968 0.054 Uiso 1 1 calc R U . . .
C16 C 1.3265(6) 0.9368(7) 0.3099(8) 0.035(2) Uani 1 1 d . . . . .
C17 C 1.2987(6) 0.9070(7) 0.3739(8) 0.036(2) Uani 1 1 d . . . . .
H17 H 1.260287 0.925099 0.384107 0.043 Uiso 1 1 calc R U . . .
C18 C 1.3249(6) 0.8545(7) 0.4203(8) 0.036(3) Uani 1 1 d . . . . .
H18 H 1.304989 0.835459 0.461699 0.043 Uiso 1 1 calc R U . . .
C19 C 1.3829(7) 0.8280(7) 0.4061(7) 0.035(2) Uani 1 1 d . . . . .
C20 C 1.3508(6) 0.6850(7) 0.5748(7) 0.033(2) Uani 1 1 d . . . . .
H20 H 1.352415 0.647755 0.538219 0.039 Uiso 1 1 calc R U . . .
C21 C 1.3210(7) 0.6760(8) 0.6414(8) 0.041(3) Uani 1 1 d . . . . .
H21 H 1.302782 0.633210 0.652003 0.049 Uiso 1 1 calc R U . . .
C22 C 1.3190(6) 0.7327(8) 0.6916(7) 0.038(3) Uani 1 1 d . . . . .
H22 H 1.299905 0.728043 0.738542 0.046 Uiso 1 1 calc R U . . .
C23 C 1.3430(7) 0.7935(9) 0.6763(8) 0.041(3) Uani 1 1 d . . . . .
H23 H 1.339951 0.831694 0.711048 0.050 Uiso 1 1 calc R U . . .
C24 C 1.3729(6) 0.8007(7) 0.6086(7) 0.034(2) Uani 1 1 d . . . . .
C25 C 1.4018(7) 0.8670(8) 0.5939(8) 0.040(2) Uani 1 1 d . . . . .
C26 C 1.3735(8) 0.9259(8) 0.6179(9) 0.048(3) Uani 1 1 d . . . . .
H26 H 1.333040 0.922765 0.631408 0.058 Uiso 1 1 calc R U . . .
C27 C 1.4043(8) 0.9912(9) 0.6228(9) 0.052(3) Uani 1 1 d . . . . .
H27 H 1.383346 1.031695 0.635544 0.062 Uiso 1 1 calc R U . . .
C28 C 1.4621(8) 0.9946(9) 0.6094(10) 0.052(3) Uani 1 1 d . . . . .
H28 H 1.483329 1.037397 0.616845 0.062 Uiso 1 1 calc R U . . .
C29 C 1.4937(7) 0.9364(8) 0.5842(9) 0.043(3) Uani 1 1 d . . . . .
C30 C 1.5550(8) 0.9407(9) 0.5720(10) 0.050(3) Uani 1 1 d . . . . .
H30 H 1.576872 0.982915 0.582695 0.060 Uiso 1 1 calc R U . . .
C31 C 1.5854(7) 0.8839(8) 0.5441(10) 0.046(3) Uani 1 1 d . . . . .
C32 C 1.6492(8) 0.8889(9) 0.5360(13) 0.066(5) Uani 1 1 d . . . . .
H32 H 1.671160 0.930811 0.548722 0.079 Uiso 1 1 calc R U . . .
C33 C 1.6784(8) 0.8336(9) 0.5099(13) 0.062(5) Uani 1 1 d . . . . .
H33 H 1.720997 0.837008 0.505042 0.074 Uiso 1 1 calc R U . . .
C34 C 1.6468(7) 0.7714(8) 0.4900(11) 0.050(4) Uani 1 1 d . . . . .
H34 H 1.668245 0.733006 0.472646 0.061 Uiso 1 1 calc R U . . .
C35 C 1.5849(6) 0.7656(7) 0.4954(8) 0.036(3) Uani 1 1 d . . . . .
H35 H 1.564070 0.723193 0.481595 0.044 Uiso 1 1 calc R U . . .
C36 C 1.5517(6) 0.8214(7) 0.5209(8) 0.035(2) Uani 1 1 d . . . . .
C37 C 1.4865(6) 0.8207(7) 0.5292(6) 0.027(2) Uani 1 1 d . . . . .
C38 C 1.4604(7) 0.8715(7) 0.5689(7) 0.036(2) Uani 1 1 d . . . . .
Pt2 Pt 1.08685(2) 0.75972(3) 0.51949(3) 0.03605(14) Uani 1 1 d . . . . .
Cl3 Cl 1.03582(19) 0.86345(19) 0.5656(2) 0.0447(8) Uani 1 1 d . . . . .
Cl4 Cl 1.1680(2) 0.8317(2) 0.4772(2) 0.0521(10) Uani 1 1 d . . . . .
N3 N 1.1340(4) 0.7560(6) 0.6358(6) 0.0283(19) Uani 1 1 d . . . . .
N4 N 1.0445(5) 0.7608(6) 0.4021(6) 0.033(2) Uani 1 1 d . . . . .
C39 C 1.0147(7) 0.8180(8) 0.3674(9) 0.043(3) Uani 1 1 d . . . . .
H39 H 1.011496 0.857239 0.400573 0.052 Uiso 1 1 calc R U . . .
C40 C 0.9891(9) 0.8209(9) 0.2860(9) 0.053(4) Uani 1 1 d . . . . .
H40 H 0.969449 0.861499 0.262384 0.063 Uiso 1 1 calc R U . . .
C41 C 0.9932(8) 0.7619(9) 0.2402(9) 0.047(3) Uani 1 1 d . . . . .
H41 H 0.973004 0.760135 0.185175 0.056 Uiso 1 1 calc R U . . .
C42 C 1.0258(7) 0.7070(9) 0.2737(8) 0.045(3) Uani 1 1 d . . . . .
H42 H 1.030857 0.668350 0.240524 0.054 Uiso 1 1 calc R U . . .
C43 C 1.0521(7) 0.7057(8) 0.3555(8) 0.040(3) Uani 1 1 d . . . . .
C44 C 1.0973(7) 0.6550(7) 0.3980(8) 0.038(2) Uani 1 1 d . . . . .
C45 C 1.1204(7) 0.5941(8) 0.3654(9) 0.042(3) Uani 1 1 d . . . . .
C46 C 1.0917(8) 0.5599(8) 0.2932(9) 0.046(3) Uani 1 1 d . . . . .
H46 H 1.054599 0.578063 0.262561 0.055 Uiso 1 1 calc R U . A 2
C47 C 1.1207(14) 0.5076(15) 0.2460(18) 0.055(8) Uani 0.48(3) 1 d G . P B 1
C52 C 1.1811(14) 0.4890(14) 0.2790(16) 0.058(8) Uani 0.48(3) 1 d G . P B 1
C51 C 1.2143(11) 0.4449(17) 0.236(2) 0.079(14) Uani 0.48(3) 1 d G . P B 1
H51 H 1.255589 0.432116 0.258941 0.094 Uiso 0.48(3) 1 calc R U P B 1
C50 C 1.1871(14) 0.4194(18) 0.161(2) 0.091(17) Uani 0.48(3) 1 d G . P B 1
H50 H 1.209764 0.389228 0.131850 0.109 Uiso 0.48(3) 1 calc R U P B 1
C49 C 1.1267(14) 0.4380(17) 0.1280(17) 0.070(11) Uani 0.48(3) 1 d G . P B 1
H49 H 1.108062 0.420614 0.076399 0.085 Uiso 0.48(3) 1 calc R U P B 1
C48 C 1.0935(12) 0.4821(17) 0.1706(19) 0.056(8) Uani 0.48(3) 1 d G . P B 1
H48 H 1.052182 0.494888 0.148039 0.067 Uiso 0.48(3) 1 calc R U P B 1
C47A C 1.1169(12) 0.5019(12) 0.2680(15) 0.045(6) Uani 0.52(3) 1 d G . P B 2
C52A C 1.1661(12) 0.4679(13) 0.3154(13) 0.054(8) Uani 0.52(3) 1 d G . P B 2
C51A C 1.1900(12) 0.4080(13) 0.2867(14) 0.063(11) Uani 0.52(3) 1 d G . P B 2
H51A H 1.223648 0.384814 0.319046 0.076 Uiso 0.52(3) 1 calc R U P B 2
C50A C 1.1646(12) 0.3821(11) 0.2107(14) 0.065(11) Uani 0.52(3) 1 d G . P B 2
H50A H 1.180856 0.341182 0.191083 0.078 Uiso 0.52(3) 1 calc R U P B 2
C49A C 1.1153(11) 0.4161(12) 0.1633(12) 0.049(7) Uani 0.52(3) 1 d G . P B 2
H49A H 1.097917 0.398365 0.111392 0.058 Uiso 0.52(3) 1 calc R U P B 2
C48A C 1.0914(11) 0.4760(13) 0.1920(14) 0.051(8) Uani 0.52(3) 1 d G . P B 2
H48A H 1.057769 0.499182 0.159663 0.061 Uiso 0.52(3) 1 calc R U P B 2
C53 C 1.208(2) 0.514(2) 0.357(3) 0.058(9) Uani 0.48(3) 1 d . . P B 1
H53 H 1.245592 0.493314 0.383022 0.070 Uiso 0.48(3) 1 calc R U P B 1
C53A C 1.1928(18) 0.498(2) 0.390(2) 0.055(9) Uani 0.52(3) 1 d . . P B 2
H53A H 1.227016 0.476796 0.422895 0.066 Uiso 0.52(3) 1 calc R U P B 2
C54 C 1.1827(17) 0.5676(17) 0.398(2) 0.037(6) Uani 0.48(3) 1 d . . P B 1
C54A C 1.1692(15) 0.559(2) 0.414(2) 0.038(6) Uani 0.52(3) 1 d . . P B 2
C55 C 1.2062(8) 0.5928(9) 0.4819(11) 0.054(4) Uani 1 1 d . . . . .
H55A H 1.246837 0.577111 0.503448 0.065 Uiso 0.52(3) 1 calc R U P B 2
H55 H 1.240008 0.569501 0.513911 0.065 Uiso 0.48(3) 1 calc R U P B 1
C56 C 1.1803(7) 0.6486(8) 0.5141(10) 0.044(3) Uani 1 1 d . . . . .
H56 H 1.200503 0.666929 0.564449 0.052 Uiso 1 1 calc R U . . .
C57 C 1.1251(6) 0.6795(8) 0.4755(8) 0.037(2) Uani 1 1 d . . . . .
C58 C 1.1624(7) 0.8140(8) 0.6669(9) 0.042(3) Uani 1 1 d . . . . .
H58 H 1.160396 0.853817 0.633479 0.050 Uiso 1 1 calc R U . . .
C59 C 1.1947(6) 0.8178(9) 0.7460(9) 0.042(3) Uani 1 1 d . . . . .
H59 H 1.216388 0.858581 0.765023 0.050 Uiso 1 1 calc R U . . .
C60 C 1.1946(7) 0.7616(9) 0.7964(9) 0.046(3) Uani 1 1 d . . . . .
H60 H 1.214611 0.763435 0.851502 0.055 Uiso 1 1 calc R U . . .
C61 C 1.1651(7) 0.7030(9) 0.7651(9) 0.045(3) Uani 1 1 d . . . . .
H61 H 1.164854 0.663652 0.799003 0.054 Uiso 1 1 calc R U . . .
C62 C 1.1351(7) 0.6999(8) 0.6838(8) 0.040(3) Uani 1 1 d . . . . .
C63 C 1.1054(7) 0.6344(8) 0.6514(9) 0.042(3) Uani 1 1 d . . . . .
C64 C 1.1303(8) 0.5730(9) 0.6850(11) 0.053(3) Uani 1 1 d . . . . .
H64 H 1.169461 0.573671 0.719864 0.063 Uiso 1 1 calc R U . . .
C65 C 1.0991(9) 0.5098(10) 0.6689(12) 0.063(4) Uani 1 1 d . . . . .
H65 H 1.119324 0.467910 0.687131 0.076 Uiso 1 1 calc R U . . .
C66 C 1.0410(8) 0.5084(9) 0.6279(11) 0.057(4) Uani 1 1 d . . . . .
H66 H 1.018998 0.465943 0.622146 0.068 Uiso 1 1 calc R U . . .
C67 C 1.0111(7) 0.5702(8) 0.5923(10) 0.044(3) Uani 1 1 d . . . . .
C68 C 0.9505(8) 0.5706(8) 0.5523(10) 0.049(3) Uani 1 1 d . . . . .
H68 H 0.927214 0.529002 0.548997 0.059 Uiso 1 1 calc R U . . .
C69 C 0.9222(7) 0.6302(7) 0.5164(9) 0.041(3) Uani 1 1 d . . . . .
C70 C 0.8569(8) 0.6311(8) 0.4807(11) 0.054(4) Uani 1 1 d . . . . .
H70 H 0.832841 0.590203 0.480035 0.065 Uiso 1 1 calc R U . . .
C71 C 0.8306(8) 0.6890(9) 0.4490(12) 0.060(5) Uani 1 1 d . . . . .
H71 H 0.787683 0.688953 0.426356 0.072 Uiso 1 1 calc R U . . .
C72 C 0.8647(7) 0.7497(8) 0.4482(9) 0.046(3) Uani 1 1 d . . . . .
H72 H 0.844636 0.790336 0.425510 0.056 Uiso 1 1 calc R U . . .
C73 C 0.9268(6) 0.7514(7) 0.4798(7) 0.034(2) Uani 1 1 d . . . . .
H73 H 0.948839 0.793480 0.478595 0.041 Uiso 1 1 calc R U . . .
C74 C 0.9591(7) 0.6918(7) 0.5143(8) 0.036(3) Uani 1 1 d . . . . .
C75 C 1.0242(7) 0.6923(7) 0.5517(7) 0.034(2) Uani 1 1 d . . . . .
C76 C 1.0455(7) 0.6331(8) 0.5954(9) 0.039(3) Uani 1 1 d . . . . .
Cl5 Cl 0.9088(7) 0.4913(6) 0.1426(9) 0.139(6) Uani 0.663(14) 1 d D . P . .
Cl6 Cl 0.8120(6) 0.5397(7) 0.0256(11) 0.153(6) Uani 0.663(14) 1 d D . P . .
C77 C 0.8872(13) 0.511(2) 0.0427(16) 0.106(11) Uani 0.663(14) 1 d D . P . .
H77A H 0.890701 0.468930 0.009342 0.127 Uiso 0.663(14) 1 calc R U P . .
H77B H 0.915045 0.546390 0.026581 0.127 Uiso 0.663(14) 1 calc R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.451(3) . ?
Pt1 Cl2 2.459(3) . ?
Pt1 N1 2.018(9) . ?
Pt1 N2 2.049(9) . ?
Pt1 C19 2.017(14) . ?
Pt1 C37 2.109(12) . ?
N1 C1 1.358(16) . ?
N1 C5 1.355(15) . ?
N2 C20 1.358(17) . ?
N2 C24 1.341(16) . ?
C1 H1 0.9500 . ?
C1 C2 1.380(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.374(19) . ?
C3 H3 0.9500 . ?
C3 C4 1.362(18) . ?
C4 H4 0.9500 . ?
C4 C5 1.439(16) . ?
C5 C6 1.465(17) . ?
C6 C7 1.444(18) . ?
C6 C19 1.421(17) . ?
C7 C8 1.395(19) . ?
C7 C16 1.443(18) . ?
C8 H8 0.9500 . ?
C8 C9 1.43(2) . ?
C9 C10 1.42(2) . ?
C9 C14 1.41(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.34(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.42(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.39(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.44(2) . ?
C14 C15 1.40(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.40(2) . ?
C16 C17 1.434(19) . ?
C17 H17 0.9500 . ?
C17 C18 1.35(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.422(19) . ?
C20 H20 0.9500 . ?
C20 C21 1.388(18) . ?
C21 H21 0.9500 . ?
C21 C22 1.39(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.33(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.400(18) . ?
C24 C25 1.47(2) . ?
C25 C26 1.39(2) . ?
C25 C38 1.41(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.43(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.32(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.42(2) . ?
C29 C30 1.39(2) . ?
C29 C38 1.46(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.40(2) . ?
C31 C32 1.43(2) . ?
C31 C36 1.44(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.36(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.40(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.37(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.407(19) . ?
C36 C37 1.454(18) . ?
C37 C38 1.363(18) . ?
Pt2 Cl3 2.483(4) . ?
Pt2 Cl4 2.450(4) . ?
Pt2 N3 2.040(10) . ?
Pt2 N4 2.021(10) . ?
Pt2 C57 1.964(15) . ?
Pt2 C75 2.029(13) . ?
N3 C58 1.346(18) . ?
N3 C62 1.348(18) . ?
N4 C39 1.365(18) . ?
N4 C43 1.348(18) . ?
C39 H39 0.9500 . ?
C39 C40 1.38(2) . ?
C40 H40 0.9500 . ?
C40 C41 1.39(2) . ?
C41 H41 0.9500 . ?
C41 C42 1.35(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.389(19) . ?
C43 C44 1.49(2) . ?
C44 C45 1.43(2) . ?
C44 C57 1.415(19) . ?
C45 C46 1.43(2) . ?
C45 C54 1.47(4) . ?
C45 C54A 1.40(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.49(3) . ?
C46 C47A 1.35(2) . ?
C47 C52 1.3900 . ?
C47 C48 1.3900 . ?
C52 C51 1.3900 . ?
C52 C53 1.42(4) . ?
C51 H51 0.9500 . ?
C51 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C48 1.3900 . ?
C48 H48 0.9500 . ?
C47A C52A 1.3900 . ?
C47A C48A 1.3900 . ?
C52A C51A 1.3900 . ?
C52A C53A 1.41(4) . ?
C51A H51A 0.9500 . ?
C51A C50A 1.3900 . ?
C50A H50A 0.9500 . ?
C50A C49A 1.3900 . ?
C49A H49A 0.9500 . ?
C49A C48A 1.3900 . ?
C48A H48A 0.9500 . ?
C53 H53 0.9500 . ?
C53 C54 1.41(5) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.38(5) . ?
C54 C55 1.49(4) . ?
C54A C55 1.43(4) . ?
C55 H55A 0.9500 . ?
C55 H55 0.9500 . ?
C55 C56 1.37(2) . ?
C56 H56 0.9500 . ?
C56 C57 1.40(2) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(19) . ?
C59 H59 0.9500 . ?
C59 C60 1.38(2) . ?
C60 H60 0.9500 . ?
C60 C61 1.37(2) . ?
C61 H61 0.9500 . ?
C61 C62 1.41(2) . ?
C62 C63 1.49(2) . ?
C63 C64 1.39(2) . ?
C63 C76 1.48(2) . ?
C64 H64 0.9500 . ?
C64 C65 1.41(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.34(2) . ?
C66 H66 0.9500 . ?
C66 C67 1.45(2) . ?
C67 C68 1.38(2) . ?
C67 C76 1.43(2) . ?
C68 H68 0.9500 . ?
C68 C69 1.40(2) . ?
C69 C70 1.45(2) . ?
C69 C74 1.45(2) . ?
C70 H70 0.9500 . ?
C70 C71 1.33(2) . ?
C71 H71 0.9500 . ?
C71 C72 1.39(2) . ?
C72 H72 0.9500 . ?
C72 C73 1.37(2) . ?
C73 H73 0.9500 . ?
C73 C74 1.426(18) . ?
C74 C75 1.454(19) . ?
C75 C76 1.40(2) . ?
Cl5 C77 1.69(2) . ?
Cl6 C77 1.72(2) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pt1 Cl2 90.82(12) . . ?
N1 Pt1 Cl1 85.7(3) . . ?
N1 Pt1 Cl2 97.3(3) . . ?
N1 Pt1 N2 175.8(4) . . ?
N1 Pt1 C37 94.1(4) . . ?
N2 Pt1 Cl1 91.2(3) . . ?
N2 Pt1 Cl2 85.6(3) . . ?
N2 Pt1 C37 88.6(4) . . ?
C19 Pt1 Cl1 87.8(4) . . ?
C19 Pt1 Cl2 177.0(4) . . ?
C19 Pt1 N1 80.0(4) . . ?
C19 Pt1 N2 97.1(5) . . ?
C19 Pt1 C37 85.3(5) . . ?
C37 Pt1 Cl1 173.0(4) . . ?
C37 Pt1 Cl2 96.1(3) . . ?
C1 N1 Pt1 121.5(8) . . ?
C5 N1 Pt1 117.1(8) . . ?
C5 N1 C1 120.9(10) . . ?
C20 N2 Pt1 115.6(8) . . ?
C24 N2 Pt1 123.8(9) . . ?
C24 N2 C20 120.5(11) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.6(12) . . ?
C2 C1 H1 118.7 . . ?
C1 C2 H2 121.7 . . ?
C3 C2 C1 116.7(13) . . ?
C3 C2 H2 121.7 . . ?
C2 C3 H3 118.5 . . ?
C4 C3 C2 122.9(12) . . ?
C4 C3 H3 118.5 . . ?
C3 C4 H4 120.8 . . ?
C3 C4 C5 118.4(12) . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 118.3(11) . . ?
N1 C5 C6 113.5(10) . . ?
C4 C5 C6 127.5(11) . . ?
C7 C6 C5 126.0(11) . . ?
C19 C6 C5 114.3(12) . . ?
C19 C6 C7 118.8(12) . . ?
C8 C7 C6 123.7(13) . . ?
C8 C7 C16 118.6(13) . . ?
C16 C7 C6 117.7(12) . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.2(14) . . ?
C9 C8 H8 119.4 . . ?
C10 C9 C8 121.9(15) . . ?
C14 C9 C8 118.8(14) . . ?
C14 C9 C10 119.2(15) . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 121.9(18) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0(18) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 119.1(18) . . ?
C13 C12 H12 120.5 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.8(18) . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 117.9(15) . . ?
C15 C14 C9 120.0(14) . . ?
C15 C14 C13 122.1(15) . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.1(14) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 C7 119.4(13) . . ?
C15 C16 C17 121.1(13) . . ?
C17 C16 C7 119.5(13) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 C16 122.6(13) . . ?
C18 C17 H17 118.7 . . ?
C17 C18 H18 120.5 . . ?
C17 C18 C19 118.9(13) . . ?
C19 C18 H18 120.5 . . ?
C6 C19 Pt1 113.6(10) . . ?
C6 C19 C18 121.7(13) . . ?
C18 C19 Pt1 124.1(10) . . ?
N2 C20 H20 119.3 . . ?
N2 C20 C21 121.4(13) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 121.7 . . ?
C22 C21 C20 116.7(14) . . ?
C22 C21 H21 121.7 . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.2(13) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.6(14) . . ?
C24 C23 H23 120.2 . . ?
N2 C24 C23 119.5(13) . . ?
N2 C24 C25 120.9(11) . . ?
C23 C24 C25 119.5(13) . . ?
C26 C25 C24 116.5(14) . . ?
C26 C25 C38 120.2(14) . . ?
C38 C25 C24 122.5(13) . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(16) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.2(16) . . ?
C28 C27 H27 120.4 . . ?
C27 C28 H28 118.8 . . ?
C27 C28 C29 122.5(16) . . ?
C29 C28 H28 118.8 . . ?
C28 C29 C38 119.0(15) . . ?
C30 C29 C28 121.5(15) . . ?
C30 C29 C38 119.5(14) . . ?
C29 C30 H30 119.3 . . ?
C29 C30 C31 121.3(15) . . ?
C31 C30 H30 119.3 . . ?
C30 C31 C32 120.0(15) . . ?
C30 C31 C36 120.2(14) . . ?
C32 C31 C36 119.7(15) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.7(16) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.2(16) . . ?
C34 C33 H33 119.4 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.3(16) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 119.4 . . ?
C34 C35 C36 121.2(13) . . ?
C36 C35 H35 119.4 . . ?
C31 C36 C37 116.6(13) . . ?
C35 C36 C31 117.7(13) . . ?
C35 C36 C37 125.6(12) . . ?
C36 C37 Pt1 119.8(9) . . ?
C38 C37 Pt1 117.4(10) . . ?
C38 C37 C36 122.3(12) . . ?
C25 C38 C29 116.9(13) . . ?
C37 C38 C25 124.8(13) . . ?
C37 C38 C29 118.2(13) . . ?
Cl4 Pt2 Cl3 90.61(14) . . ?
N3 Pt2 Cl3 85.2(3) . . ?
N3 Pt2 Cl4 91.1(3) . . ?
N4 Pt2 Cl3 97.7(3) . . ?
N4 Pt2 Cl4 87.2(3) . . ?
N4 Pt2 N3 176.6(4) . . ?
N4 Pt2 C75 92.5(4) . . ?
C57 Pt2 Cl3 176.2(4) . . ?
C57 Pt2 Cl4 88.3(4) . . ?
C57 Pt2 N3 98.5(5) . . ?
C57 Pt2 N4 78.5(5) . . ?
C57 Pt2 C75 86.3(5) . . ?
C75 Pt2 Cl3 94.8(4) . . ?
C75 Pt2 Cl4 174.6(4) . . ?
C75 Pt2 N3 89.0(5) . . ?
C58 N3 Pt2 117.7(9) . . ?
C58 N3 C62 119.0(12) . . ?
C62 N3 Pt2 123.3(9) . . ?
C39 N4 Pt2 121.8(9) . . ?
C43 N4 Pt2 118.0(10) . . ?
C43 N4 C39 119.8(12) . . ?
N4 C39 H39 118.8 . . ?
N4 C39 C40 122.4(14) . . ?
C40 C39 H39 118.8 . . ?
C39 C40 H40 121.5 . . ?
C39 C40 C41 117.0(15) . . ?
C41 C40 H40 121.5 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.1(15) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 119.1 . . ?
C41 C42 C43 121.7(15) . . ?
C43 C42 H42 119.1 . . ?
N4 C43 C42 118.6(14) . . ?
N4 C43 C44 112.7(12) . . ?
C42 C43 C44 127.9(14) . . ?
C45 C44 C43 127.9(13) . . ?
C57 C44 C43 111.3(13) . . ?
C57 C44 C45 120.1(14) . . ?
C44 C45 C54 121.0(18) . . ?
C46 C45 C44 125.0(15) . . ?
C46 C45 C54 113.3(19) . . ?
C54A C45 C44 117.3(18) . . ?
C54A C45 C46 116.9(19) . . ?
C45 C46 H46 119.8 . . ?
C45 C46 C47 126.7(18) . . ?
C47A C46 C45 120.4(18) . . ?
C47A C46 H46 119.8 . . ?
C52 C47 C46 115.4(19) . . ?
C52 C47 C48 120.0 . . ?
C48 C47 C46 124.4(19) . . ?
C47 C52 C51 120.0 . . ?
C47 C52 C53 120(3) . . ?
C51 C52 C53 120(3) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C51 C50 C49 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C46 C47A C52A 122.4(17) . . ?
C46 C47A C48A 117.6(17) . . ?
C52A C47A C48A 120.0 . . ?
C47A C52A C53A 118(2) . . ?
C51A C52A C47A 120.0 . . ?
C51A C52A C53A 122(2) . . ?
C52A C51A H51A 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C51A C50A C49A 120.0 . . ?
C49A C50A H50A 120.0 . . ?
C50A C49A H49A 120.0 . . ?
C48A C49A C50A 120.0 . . ?
C48A C49A H49A 120.0 . . ?
C47A C48A H48A 120.0 . . ?
C49A C48A C47A 120.0 . . ?
C49A C48A H48A 120.0 . . ?
C52 C53 H53 118.1 . . ?
C54 C53 C52 124(4) . . ?
C54 C53 H53 118.1 . . ?
C52A C53A H53A 119.9 . . ?
C54A C53A C52A 120(3) . . ?
C54A C53A H53A 119.9 . . ?
C45 C54 C55 112(3) . . ?
C53 C54 C45 120(3) . . ?
C53 C54 C55 126(3) . . ?
C45 C54A C55 121(3) . . ?
C53A C54A C45 122(3) . . ?
C53A C54A C55 116(3) . . ?
C54 C55 H55 119.1 . . ?
C54A C55 H55A 121.6 . . ?
C56 C55 C54 122(2) . . ?
C56 C55 C54A 117(2) . . ?
C56 C55 H55A 121.6 . . ?
C56 C55 H55 119.1 . . ?
C55 C56 H56 118.7 . . ?
C55 C56 C57 122.5(15) . . ?
C57 C56 H56 118.7 . . ?
C44 C57 Pt2 117.5(11) . . ?
C56 C57 Pt2 123.7(11) . . ?
C56 C57 C44 118.6(14) . . ?
N3 C58 H58 118.7 . . ?
N3 C58 C59 122.6(14) . . ?
C59 C58 H58 118.7 . . ?
C58 C59 H59 120.5 . . ?
C60 C59 C58 119.0(15) . . ?
C60 C59 H59 120.5 . . ?
C59 C60 H60 120.8 . . ?
C61 C60 C59 118.3(14) . . ?
C61 C60 H60 120.8 . . ?
C60 C61 H61 119.4 . . ?
C60 C61 C62 121.2(15) . . ?
C62 C61 H61 119.4 . . ?
N3 C62 C61 119.8(14) . . ?
N3 C62 C63 120.7(12) . . ?
C61 C62 C63 119.5(14) . . ?
C64 C63 C62 117.9(14) . . ?
C64 C63 C76 119.2(15) . . ?
C76 C63 C62 122.2(13) . . ?
C63 C64 H64 119.2 . . ?
C63 C64 C65 121.7(16) . . ?
C65 C64 H64 119.2 . . ?
C64 C65 H65 119.9 . . ?
C66 C65 C64 120.3(17) . . ?
C66 C65 H65 119.9 . . ?
C65 C66 H66 119.4 . . ?
C65 C66 C67 121.2(17) . . ?
C67 C66 H66 119.4 . . ?
C68 C67 C66 122.3(15) . . ?
C68 C67 C76 118.0(14) . . ?
C76 C67 C66 119.7(15) . . ?
C67 C68 H68 118.9 . . ?
C67 C68 C69 122.1(15) . . ?
C69 C68 H68 118.9 . . ?
C68 C69 C70 121.3(14) . . ?
C68 C69 C74 119.0(14) . . ?
C74 C69 C70 119.6(13) . . ?
C69 C70 H70 119.9 . . ?
C71 C70 C69 120.2(16) . . ?
C71 C70 H70 119.9 . . ?
C70 C71 H71 119.3 . . ?
C70 C71 C72 121.4(16) . . ?
C72 C71 H71 119.3 . . ?
C71 C72 H72 119.6 . . ?
C73 C72 C71 120.9(14) . . ?
C73 C72 H72 119.6 . . ?
C72 C73 H73 119.1 . . ?
C72 C73 C74 121.8(14) . . ?
C74 C73 H73 119.1 . . ?
C69 C74 C75 120.3(12) . . ?
C73 C74 C69 116.0(13) . . ?
C73 C74 C75 123.5(13) . . ?
C74 C75 Pt2 123.1(10) . . ?
C76 C75 Pt2 119.2(10) . . ?
C76 C75 C74 115.8(12) . . ?
C67 C76 C63 116.3(13) . . ?
C75 C76 C63 119.9(13) . . ?
C75 C76 C67 123.7(14) . . ?
Cl5 C77 Cl6 109.7(19) . . ?
Cl5 C77 H77A 109.7 . . ?
Cl5 C77 H77B 109.7 . . ?
Cl6 C77 H77A 109.7 . . ?
Cl6 C77 H77B 109.7 . . ?
H77A C77 H77B 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 174.7(10) . . . . ?
Pt1 N1 C5 C4 -174.8(8) . . . . ?
Pt1 N1 C5 C6 -4.0(12) . . . . ?
Pt1 N2 C20 C21 174.5(10) . . . . ?
Pt1 N2 C24 C23 -174.6(9) . . . . ?
Pt1 N2 C24 C25 1.7(17) . . . . ?
Pt1 C37 C38 C25 22.0(17) . . . . ?
Pt1 C37 C38 C29 -155.4(10) . . . . ?
N1 C1 C2 C3 1(2) . . . . ?
N1 C5 C6 C7 -174.4(11) . . . . ?
N1 C5 C6 C19 -5.8(15) . . . . ?
N2 C20 C21 C22 1.2(19) . . . . ?
N2 C24 C25 C26 151.5(13) . . . . ?
N2 C24 C25 C38 -38.3(19) . . . . ?
C1 N1 C5 C4 -2.6(16) . . . . ?
C1 N1 C5 C6 168.2(11) . . . . ?
C1 C2 C3 C4 -5(2) . . . . ?
C2 C3 C4 C5 5(2) . . . . ?
C3 C4 C5 N1 -1.1(17) . . . . ?
C3 C4 C5 C6 -170.5(12) . . . . ?
C4 C5 C6 C7 -5(2) . . . . ?
C4 C5 C6 C19 164.0(12) . . . . ?
C5 N1 C1 C2 2.8(18) . . . . ?
C5 C6 C7 C8 -23(2) . . . . ?
C5 C6 C7 C16 158.3(12) . . . . ?
C5 C6 C19 Pt1 12.8(14) . . . . ?
C5 C6 C19 C18 -158.9(12) . . . . ?
C6 C7 C8 C9 170.7(12) . . . . ?
C6 C7 C16 C15 -174.6(12) . . . . ?
C6 C7 C16 C17 5.1(17) . . . . ?
C7 C6 C19 Pt1 -177.7(9) . . . . ?
C7 C6 C19 C18 10.6(19) . . . . ?
C7 C8 C9 C10 -170.5(14) . . . . ?
C7 C8 C9 C14 5(2) . . . . ?
C7 C16 C17 C18 -1(2) . . . . ?
C8 C7 C16 C15 6.3(19) . . . . ?
C8 C7 C16 C17 -174.1(12) . . . . ?
C8 C9 C10 C11 174.7(16) . . . . ?
C8 C9 C14 C13 -174.9(14) . . . . ?
C8 C9 C14 C15 4(2) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
C9 C14 C15 C16 -7(2) . . . . ?
C10 C9 C14 C13 1(2) . . . . ?
C10 C9 C14 C15 179.5(14) . . . . ?
C10 C11 C12 C13 3(3) . . . . ?
C11 C12 C13 C14 -3(3) . . . . ?
C12 C13 C14 C9 1(3) . . . . ?
C12 C13 C14 C15 -177.3(17) . . . . ?
C13 C14 C15 C16 171.0(15) . . . . ?
C14 C9 C10 C11 -1(2) . . . . ?
C14 C15 C16 C7 2(2) . . . . ?
C14 C15 C16 C17 -177.2(13) . . . . ?
C15 C16 C17 C18 179.1(13) . . . . ?
C16 C7 C8 C9 -10.2(19) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 Pt1 -176.8(10) . . . . ?
C17 C18 C19 C6 -6(2) . . . . ?
C19 C6 C7 C8 169.2(12) . . . . ?
C19 C6 C7 C16 -9.9(17) . . . . ?
C20 N2 C24 C23 3.8(19) . . . . ?
C20 N2 C24 C25 -180.0(12) . . . . ?
C20 C21 C22 C23 1.6(19) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C22 C23 C24 N2 -1(2) . . . . ?
C22 C23 C24 C25 -177.3(12) . . . . ?
C23 C24 C25 C26 -32.2(19) . . . . ?
C23 C24 C25 C38 137.9(14) . . . . ?
C24 N2 C20 C21 -4.0(18) . . . . ?
C24 C25 C26 C27 166.5(13) . . . . ?
C24 C25 C38 C29 -158.5(12) . . . . ?
C24 C25 C38 C37 24(2) . . . . ?
C25 C26 C27 C28 -5(2) . . . . ?
C26 C25 C38 C29 11.3(19) . . . . ?
C26 C25 C38 C37 -166.2(13) . . . . ?
C26 C27 C28 C29 5(2) . . . . ?
C27 C28 C29 C30 -178.7(16) . . . . ?
C27 C28 C29 C38 3(2) . . . . ?
C28 C29 C30 C31 -177.5(15) . . . . ?
C28 C29 C38 C25 -10.9(19) . . . . ?
C28 C29 C38 C37 166.7(13) . . . . ?
C29 C30 C31 C32 -176.9(17) . . . . ?
C29 C30 C31 C36 5(2) . . . . ?
C30 C29 C38 C25 170.7(13) . . . . ?
C30 C29 C38 C37 -12(2) . . . . ?
C30 C31 C32 C33 179.2(19) . . . . ?
C30 C31 C36 C35 -178.5(14) . . . . ?
C30 C31 C36 C37 -1(2) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C31 C36 C37 Pt1 161.4(10) . . . . ?
C31 C36 C37 C38 -10.4(18) . . . . ?
C32 C31 C36 C35 4(2) . . . . ?
C32 C31 C36 C37 -178.7(15) . . . . ?
C32 C33 C34 C35 1(3) . . . . ?
C33 C34 C35 C36 0(3) . . . . ?
C34 C35 C36 C31 -2(2) . . . . ?
C34 C35 C36 C37 -179.6(13) . . . . ?
C35 C36 C37 Pt1 -21.3(17) . . . . ?
C35 C36 C37 C38 166.9(13) . . . . ?
C36 C31 C32 C33 -3(3) . . . . ?
C36 C37 C38 C25 -166.0(12) . . . . ?
C36 C37 C38 C29 16.5(18) . . . . ?
C38 C25 C26 C27 -4(2) . . . . ?
C38 C29 C30 C31 1(2) . . . . ?
Pt2 N3 C58 C59 178.5(11) . . . . ?
Pt2 N3 C62 C61 -175.6(10) . . . . ?
Pt2 N3 C62 C63 4.9(17) . . . . ?
Pt2 N4 C39 C40 175.8(12) . . . . ?
Pt2 N4 C43 C42 -177.0(10) . . . . ?
Pt2 N4 C43 C44 -6.2(14) . . . . ?
Pt2 C75 C76 C63 30.4(17) . . . . ?
Pt2 C75 C76 C67 -152.4(11) . . . . ?
N3 C58 C59 C60 -4(2) . . . . ?
N3 C62 C63 C64 150.3(14) . . . . ?
N3 C62 C63 C76 -40(2) . . . . ?
N4 C39 C40 C41 2(2) . . . . ?
N4 C43 C44 C45 -174.3(12) . . . . ?
N4 C43 C44 C57 -4.4(16) . . . . ?
C39 N4 C43 C42 -4.0(19) . . . . ?
C39 N4 C43 C44 166.9(12) . . . . ?
C39 C40 C41 C42 -6(2) . . . . ?
C40 C41 C42 C43 5(2) . . . . ?
C41 C42 C43 N4 0(2) . . . . ?
C41 C42 C43 C44 -169.1(14) . . . . ?
C42 C43 C44 C45 -4(2) . . . . ?
C42 C43 C44 C57 165.3(14) . . . . ?
C43 N4 C39 C40 3(2) . . . . ?
C43 C44 C45 C46 -19(2) . . . . ?
C43 C44 C45 C54 151(2) . . . . ?
C43 C44 C45 C54A 171.5(19) . . . . ?
C43 C44 C57 Pt2 13.6(14) . . . . ?
C43 C44 C57 C56 -162.3(12) . . . . ?
C44 C45 C46 C47 164(2) . . . . ?
C44 C45 C46 C47A -179(2) . . . . ?
C44 C45 C54 C53 -170(3) . . . . ?
C44 C45 C54 C55 22(3) . . . . ?
C44 C45 C54A C53A 177(3) . . . . ?
C44 C45 C54A C55 -18(3) . . . . ?
C45 C44 C57 Pt2 -175.7(10) . . . . ?
C45 C44 C57 C56 8.4(19) . . . . ?
C45 C46 C47 C52 3(3) . . . . ?
C45 C46 C47 C48 -171.5(16) . . . . ?
C45 C46 C47A C52A 9(3) . . . . ?
C45 C46 C47A C48A -171.8(13) . . . . ?
C45 C54 C55 C56 -17(3) . . . . ?
C45 C54A C55 C56 22(4) . . . . ?
C46 C45 C54 C53 1(4) . . . . ?
C46 C45 C54 C55 -167.5(18) . . . . ?
C46 C45 C54A C53A 7(4) . . . . ?
C46 C45 C54A C55 172(2) . . . . ?
C46 C47 C52 C51 -175(3) . . . . ?
C46 C47 C52 C53 7(3) . . . . ?
C46 C47 C48 C49 174(3) . . . . ?
C46 C47A C52A C51A 180(3) . . . . ?
C46 C47A C52A C53A -4(3) . . . . ?
C46 C47A C48A C49A -180(3) . . . . ?
C47 C52 C51 C50 0.0 . . . . ?
C47 C52 C53 C54 -13(5) . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C52 C53 C54 C45 9(5) . . . . ?
C52 C53 C54 C55 175(3) . . . . ?
C51 C52 C53 C54 168(3) . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C48 C47 C52 C53 -179(3) . . . . ?
C47A C52A C51A C50A 0.0 . . . . ?
C47A C52A C53A C54A 1(4) . . . . ?
C52A C47A C48A C49A 0.0 . . . . ?
C52A C51A C50A C49A 0.0 . . . . ?
C52A C53A C54A C45 -3(5) . . . . ?
C52A C53A C54A C55 -168(3) . . . . ?
C51A C52A C53A C54A 177(3) . . . . ?
C51A C50A C49A C48A 0.0 . . . . ?
C50A C49A C48A C47A 0.0 . . . . ?
C48A C47A C52A C51A 0.0 . . . . ?
C48A C47A C52A C53A 176(3) . . . . ?
C53 C52 C51 C50 179(3) . . . . ?
C53 C54 C55 C56 176(3) . . . . ?
C53A C52A C51A C50A -176(3) . . . . ?
C53A C54A C55 C56 -172(3) . . . . ?
C54 C45 C46 C47 -7(3) . . . . ?
C54 C55 C56 C57 9(3) . . . . ?
C54A C45 C46 C47A -10(3) . . . . ?
C54A C55 C56 C57 -11(3) . . . . ?
C55 C56 C57 Pt2 -179.7(12) . . . . ?
C55 C56 C57 C44 -4(2) . . . . ?
C57 C44 C45 C46 171.8(13) . . . . ?
C57 C44 C45 C54 -18(2) . . . . ?
C57 C44 C45 C54A 2(2) . . . . ?
C58 N3 C62 C61 0.8(19) . . . . ?
C58 N3 C62 C63 -178.8(12) . . . . ?
C58 C59 C60 C61 3(2) . . . . ?
C59 C60 C61 C62 0(2) . . . . ?
C60 C61 C62 N3 -2(2) . . . . ?
C60 C61 C62 C63 177.9(13) . . . . ?
C61 C62 C63 C64 -29(2) . . . . ?
C61 C62 C63 C76 140.7(14) . . . . ?
C62 N3 C58 C59 2(2) . . . . ?
C62 C63 C64 C65 168.5(16) . . . . ?
C62 C63 C76 C67 -157.7(13) . . . . ?
C62 C63 C76 C75 20(2) . . . . ?
C63 C64 C65 C66 -8(3) . . . . ?
C64 C63 C76 C67 12(2) . . . . ?
C64 C63 C76 C75 -170.5(13) . . . . ?
C64 C65 C66 C67 6(3) . . . . ?
C65 C66 C67 C68 -177.6(18) . . . . ?
C65 C66 C67 C76 5(3) . . . . ?
C66 C67 C68 C69 -178.6(16) . . . . ?
C66 C67 C76 C63 -14(2) . . . . ?
C66 C67 C76 C75 169.2(14) . . . . ?
C67 C68 C69 C70 -174.7(16) . . . . ?
C67 C68 C69 C74 6(2) . . . . ?
C68 C67 C76 C63 168.7(14) . . . . ?
C68 C67 C76 C75 -9(2) . . . . ?
C68 C69 C70 C71 178.1(18) . . . . ?
C68 C69 C74 C73 -177.6(13) . . . . ?
C68 C69 C74 C75 -2(2) . . . . ?
C69 C70 C71 C72 1(3) . . . . ?
C69 C74 C75 Pt2 157.4(10) . . . . ?
C69 C74 C75 C76 -6.3(18) . . . . ?
C70 C69 C74 C73 3(2) . . . . ?
C70 C69 C74 C75 178.4(14) . . . . ?
C70 C71 C72 C73 0(3) . . . . ?
C71 C72 C73 C74 0(2) . . . . ?
C72 C73 C74 C69 -1.9(19) . . . . ?
C72 C73 C74 C75 -177.1(13) . . . . ?
C73 C74 C75 Pt2 -27.6(18) . . . . ?
C73 C74 C75 C76 168.7(12) . . . . ?
C74 C69 C70 C71 -3(3) . . . . ?
C74 C75 C76 C63 -165.3(12) . . . . ?
C74 C75 C76 C67 12(2) . . . . ?
C76 C63 C64 C65 -2(2) . . . . ?
C76 C67 C68 C69 -1(2) . . . . ?

# start Validation Reply Form
_vrf_PLAT342_mm574_sq_sq_sq      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02051 Ang.  
RESPONSE: The sample contained unresolved solvent in the lattice that 
lessened the quality of the scattering.  This, in addition to the disorder
in the structure is likely why the bond precision is low.
;
_vrf_PLAT410_mm574_sq_sq_sq      
;
PROBLEM: Short Intra H...H Contact  H42      ..H46      .       1.85 Ang.  
RESPONSE: The nature of the ligand and its coordination to Pt results in a 
shorter than normal distance between these two H atoms.
;
# end Validation Reply Form

_platon_squeeze_void_probe_radius 1.20
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id ANTIPtIV56
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9390(8)
2 0.0610(8)

