# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_230321d
_database_code_depnum_ccdc_archive 'CCDC 2429086'
loop_
_audit_author_name
_audit_author_address
'Qamar un nisa tariq'
;Beijing institute of technology 
China
;
_audit_update_record             
;
2025-03-05 deposited with the CCDC.	2025-07-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H16 Ag2 Cl4 N10 O18'
_chemical_formula_weight         921.87

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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.9082(13)
_cell_length_b                   7.3235(8)
_cell_length_c                   12.9223(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.973(5)
_cell_angle_gamma                90.00
_cell_volume                     1299.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3347
_cell_measurement_theta_min      2.668
_cell_measurement_theta_max      28.255

_exptl_crystal_description       block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      2.357
_exptl_crystal_density_diffrn    2.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904
_exptl_absorpt_coefficient_mu    2.023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5378
_exptl_absorpt_correction_T_max  0.8233
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5927
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.97
_diffrn_reflns_theta_max         25.02
_reflns_number_total             2281
_reflns_number_gt                1947
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0489P)²+4.0104P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2281
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1117
_refine_ls_wR_factor_gt          0.1081
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.45454(3) 0.62615(6) 0.40277(4) 0.03999(19) Uani 1 1 d . . .
Cl1 Cl 0.36103(10) 0.9426(2) 0.16866(11) 0.0391(3) Uani 1 1 d . . .
Cl2 Cl 0.96244(9) 0.71578(18) 0.06488(10) 0.0329(3) Uani 1 1 d . . .
N1 N 0.4201(3) 0.2130(7) 0.5012(4) 0.0350(10) Uani 1 1 d . . .
N2 N 0.3070(3) -0.0023(6) 0.4564(4) 0.0354(11) Uani 1 1 d . . .
H2 H 0.2777 -0.1025 0.4587 0.042 Uiso 1 1 calc R . .
N3 N 0.3382(3) 0.4214(6) 0.3479(4) 0.0332(10) Uani 1 1 d . . .
N4 N 0.1877(3) 0.3120(7) 0.2282(3) 0.0337(10) Uani 1 1 d . . .
H4 H 0.1362 0.3350 0.1694 0.040 Uiso 1 1 calc R . .
N5 N 0.1225(3) 0.0261(7) 0.2426(4) 0.0452(13) Uani 1 1 d . . .
H5A H 0.0728 0.0459 0.1813 0.054 Uiso 1 1 calc R . .
H5B H 0.1272 -0.0747 0.2785 0.054 Uiso 1 1 calc R . .
O1 O 0.3336(4) 0.8233(8) 0.2382(5) 0.0725(15) Uani 1 1 d . . .
O2 O 0.4410(4) 1.0500(9) 0.2376(5) 0.0855(18) Uani 1 1 d . . .
O3 O 0.2824(4) 1.0579(8) 0.1081(5) 0.0700(15) Uani 1 1 d . . .
O4 O 0.3892(4) 0.8429(8) 0.0929(5) 0.0725(16) Uani 1 1 d . . .
O5 O 1.0436(3) 0.6280(6) 0.1473(4) 0.0561(12) Uani 1 1 d . . .
O6 O 0.8838(3) 0.5916(6) 0.0171(4) 0.0473(11) Uani 1 1 d . . .
O7 O 0.9325(3) 0.8649(6) 0.1147(4) 0.0487(11) Uani 1 1 d . . .
O8 O 0.9888(3) 0.7807(7) -0.0239(4) 0.0517(11) Uani 1 1 d . . .
O9 O 0.8367(3) 0.2374(6) 0.0787(4) 0.0582(13) Uani 1 1 d . . .
H9C H 0.8617 0.3295 0.0601 0.070 Uiso 1 1 d R . .
H9D H 0.8731 0.1452 0.0850 0.070 Uiso 1 1 d R . .
C1 C 0.3942(4) 0.0541(8) 0.5288(5) 0.0357(13) Uani 1 1 d . . .
H1 H 0.4326 -0.0119 0.5920 0.043 Uiso 1 1 calc R . .
C2 C 0.2747(4) 0.1316(8) 0.3790(4) 0.0342(12) Uani 1 1 d . . .
C3 C 0.3445(4) 0.2671(7) 0.4064(4) 0.0300(11) Uani 1 1 d . . .
C4 C 0.2574(4) 0.4369(9) 0.2599(5) 0.0381(13) Uani 1 1 d . . .
H4A H 0.2480 0.5421 0.2166 0.046 Uiso 1 1 calc R . .
C5 C 0.1910(4) 0.1492(8) 0.2813(5) 0.0371(13) 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
Ag1 N1 2.147(4) 3_666 ?
Ag1 N3 2.191(4) . ?
Ag1 O1 2.620(5) . ?
Ag1 Ag1 2.9845(9) 3_666 ?
Cl1 O3 1.409(5) . ?
Cl1 O4 1.410(5) . ?
Cl1 O2 1.416(6) . ?
Cl1 O1 1.423(5) . ?
Cl2 O5 1.416(4) . ?
Cl2 O6 1.421(4) . ?
Cl2 O7 1.425(4) . ?
Cl2 O8 1.431(4) . ?
N1 C1 1.318(7) . ?
N1 C3 1.361(7) . ?
N1 Ag1 2.147(4) 3_666 ?
N2 C1 1.337(7) . ?
N2 C2 1.349(7) . ?
N2 H2 0.8600 . ?
N3 C4 1.298(7) . ?
N3 C3 1.342(7) . ?
N4 C4 1.324(7) . ?
N4 C5 1.367(8) . ?
N4 H4 0.8600 . ?
N5 C5 1.306(7) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
O9 H9C 0.8501 . ?
O9 H9D 0.8500 . ?
C1 H1 0.9300 . ?
C2 C3 1.380(7) . ?
C2 C5 1.392(8) . ?
C4 H4A 0.9300 . ?

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 Ag1 N3 164.39(17) 3_666 . ?
N1 Ag1 O1 109.56(18) 3_666 . ?
N3 Ag1 O1 84.69(17) . . ?
N1 Ag1 Ag1 81.15(13) 3_666 3_666 ?
N3 Ag1 Ag1 83.73(12) . 3_666 ?
O1 Ag1 Ag1 165.26(11) . 3_666 ?
O3 Cl1 O4 109.4(3) . . ?
O3 Cl1 O2 109.3(4) . . ?
O4 Cl1 O2 108.6(4) . . ?
O3 Cl1 O1 109.7(3) . . ?
O4 Cl1 O1 111.0(4) . . ?
O2 Cl1 O1 108.8(4) . . ?
O5 Cl2 O6 110.7(3) . . ?
O5 Cl2 O7 109.5(3) . . ?
O6 Cl2 O7 109.6(3) . . ?
O5 Cl2 O8 109.4(3) . . ?
O6 Cl2 O8 107.6(3) . . ?
O7 Cl2 O8 109.9(3) . . ?
C1 N1 C3 105.8(4) . . ?
C1 N1 Ag1 127.5(4) . 3_666 ?
C3 N1 Ag1 126.1(4) . 3_666 ?
C1 N2 C2 105.2(5) . . ?
C1 N2 H2 127.4 . . ?
C2 N2 H2 127.4 . . ?
C4 N3 C3 113.8(5) . . ?
C4 N3 Ag1 124.7(4) . . ?
C3 N3 Ag1 121.4(3) . . ?
C4 N4 C5 125.2(5) . . ?
C4 N4 H4 117.4 . . ?
C5 N4 H4 117.4 . . ?
C5 N5 H5A 120.0 . . ?
C5 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
Cl1 O1 Ag1 125.1(3) . . ?
H9C O9 H9D 108.8 . . ?
N1 C1 N2 113.1(5) . . ?
N1 C1 H1 123.5 . . ?
N2 C1 H1 123.5 . . ?
N2 C2 C3 108.5(5) . . ?
N2 C2 C5 132.4(5) . . ?
C3 C2 C5 119.0(5) . . ?
N3 C3 N1 127.1(5) . . ?
N3 C3 C2 125.5(5) . . ?
N1 C3 C2 107.4(5) . . ?
N3 C4 N4 124.0(5) . . ?
N3 C4 H4A 118.0 . . ?
N4 C4 H4A 118.0 . . ?
N5 C5 N4 122.7(5) . . ?
N5 C5 C2 125.0(6) . . ?
N4 C5 C2 112.3(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
N1 Ag1 N3 C4 161.4(6) 3_666 . . . ?
O1 Ag1 N3 C4 5.0(5) . . . . ?
Ag1 Ag1 N3 C4 175.9(5) 3_666 . . . ?
N1 Ag1 N3 C3 -17.0(9) 3_666 . . . ?
O1 Ag1 N3 C3 -173.4(4) . . . . ?
Ag1 Ag1 N3 C3 -2.6(4) 3_666 . . . ?
O3 Cl1 O1 Ag1 -166.0(4) . . . . ?
O4 Cl1 O1 Ag1 72.9(5) . . . . ?
O2 Cl1 O1 Ag1 -46.5(5) . . . . ?
N1 Ag1 O1 Cl1 43.0(5) 3_666 . . . ?
N3 Ag1 O1 Cl1 -143.5(4) . . . . ?
Ag1 Ag1 O1 Cl1 178.14(17) 3_666 . . . ?
C3 N1 C1 N2 1.5(6) . . . . ?
Ag1 N1 C1 N2 173.4(4) 3_666 . . . ?
C2 N2 C1 N1 -1.2(6) . . . . ?
C1 N2 C2 C3 0.4(6) . . . . ?
C1 N2 C2 C5 177.3(6) . . . . ?
C4 N3 C3 N1 179.5(5) . . . . ?
Ag1 N3 C3 N1 -1.9(7) . . . . ?
C4 N3 C3 C2 0.8(8) . . . . ?
Ag1 N3 C3 C2 179.4(4) . . . . ?
C1 N1 C3 N3 179.9(5) . . . . ?
Ag1 N1 C3 N3 7.9(8) 3_666 . . . ?
C1 N1 C3 C2 -1.2(6) . . . . ?
Ag1 N1 C3 C2 -173.2(4) 3_666 . . . ?
N2 C2 C3 N3 179.4(5) . . . . ?
C5 C2 C3 N3 2.0(8) . . . . ?
N2 C2 C3 N1 0.5(6) . . . . ?
C5 C2 C3 N1 -176.9(5) . . . . ?
C3 N3 C4 N4 -1.3(8) . . . . ?
Ag1 N3 C4 N4 -179.8(4) . . . . ?
C5 N4 C4 N3 -1.1(9) . . . . ?
C4 N4 C5 N5 -175.9(5) . . . . ?
C4 N4 C5 C2 3.8(8) . . . . ?
N2 C2 C5 N5 -1.0(10) . . . . ?
C3 C2 C5 N5 175.7(5) . . . . ?
N2 C2 C5 N4 179.4(6) . . . . ?
C3 C2 C5 N4 -4.0(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.667
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.121
####################################################################### 
# 
# 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_230312d
_database_code_depnum_ccdc_archive 'CCDC 2429111'
loop_
_audit_author_name
_audit_author_address
'Qamar un nisa tariq'
;Beijing institute of technology 
China
;
_audit_update_record             
;
2025-03-05 deposited with the CCDC.	2025-07-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H14 Ag2 N16 O12'
_chemical_formula_weight         766.11

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.1409(5)
_cell_length_b                   7.4061(7)
_cell_length_c                   12.8931(11)
_cell_angle_alpha                86.286(3)
_cell_angle_beta                 89.118(3)
_cell_angle_gamma                66.436(2)
_cell_volume                     536.32(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1595
_cell_measurement_theta_min      3.167
_cell_measurement_theta_max      27.304

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      2.372
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             376
_exptl_absorpt_coefficient_mu    1.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7351
_exptl_absorpt_correction_T_max  0.9097
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2604
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         25.01
_reflns_number_total             1846
_reflns_number_gt                1579
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1139P)²+0.6839P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1846
_refine_ls_number_parameters     191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1683
_refine_ls_wR_factor_gt          0.1633
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.19793(11) 0.33225(9) 0.04872(4) 0.0526(3) Uani 1 1 d . . .
N1 N 0.6407(12) 0.5930(10) 0.0906(5) 0.0480(15) Uani 1 1 d . . .
N2 N 0.3601(12) 0.6268(10) 0.2064(6) 0.0528(17) Uani 1 1 d . . .
H2 H 0.2226 0.6667 0.2348 0.063 Uiso 1 1 calc R . .
N3 N 0.9686(12) 0.3419(9) 0.1833(4) 0.0403(13) Uani 1 1 d . A .
N4 N 0.8528(12) 0.2339(9) 0.3435(5) 0.0462(15) Uani 1 1 d . A .
H4 H 0.8973 0.1521 0.3972 0.055 Uiso 1 1 calc R . .
N5 N 1.2359(13) 0.0977(11) 0.2898(6) 0.0593(18) Uani 1 1 d . A .
H5A H 1.3471 0.0868 0.2462 0.071 Uiso 1 1 calc R . .
H5B H 1.2672 0.0237 0.3465 0.071 Uiso 1 1 calc R . .
N6 N 0.4760(14) 0.3552(11) 0.4098(5) 0.0559(18) Uani 1 1 d . A .
H6A H 0.5264 0.2698 0.4618 0.067 Uiso 1 1 calc R . .
H6B H 0.3292 0.4360 0.4060 0.067 Uiso 1 1 calc R . .
N7 N 1.2446(12) 0.0253(10) -0.1330(6) 0.0514(16) Uani 1 1 d . . .
N8 N 0.0851(13) 0.2368(10) 0.5775(5) 0.0533(17) Uani 1 1 d . . .
O1 O 1.1351(17) 0.0625(14) -0.0511(7) 0.073(2) Uani 0.787(8) 1 d P A 1
O2 O 1.4195(15) -0.1237(14) -0.1467(7) 0.075(2) Uani 0.787(8) 1 d P . 1
O3 O 1.1531(17) 0.1322(15) -0.2120(7) 0.084(3) Uani 0.787(8) 1 d P A 1
O1' O 1.367(6) 0.004(5) -0.042(3) 0.073(2) Uani 0.213(8) 1 d P A 2
O2' O 1.316(6) -0.044(5) -0.206(3) 0.075(2) Uani 0.213(8) 1 d P A 2
O3' O 1.069(7) 0.170(6) -0.128(3) 0.084(3) Uani 0.213(8) 1 d P A 2
O4 O -0.0920(13) 0.1927(11) 0.5774(5) 0.0700(17) Uani 1 1 d . . .
O5 O 0.2693(14) 0.1185(11) 0.5444(6) 0.087(2) Uani 1 1 d . . .
O6 O 0.0521(18) 0.3978(10) 0.6062(8) 0.108(3) Uani 1 1 d . . .
C1 C 0.4110(15) 0.6881(13) 0.1125(7) 0.054(2) Uani 1 1 d . . .
H1 H 0.3006 0.7844 0.0683 0.065 Uiso 1 1 calc R . .
C2 C 0.5665(14) 0.4899(11) 0.2484(6) 0.0437(16) Uani 1 1 d . A .
C3 C 0.7390(14) 0.4706(11) 0.1734(6) 0.0420(16) Uani 1 1 d . . .
C4 C 1.0212(15) 0.2259(11) 0.2703(6) 0.0450(17) Uani 1 1 d . . .
C5 C 0.6214(14) 0.3619(11) 0.3371(5) 0.0423(16) 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
Ag1 N1 2.184(6) 2_765 ?
Ag1 N3 2.204(6) . ?
Ag1 O2 2.537(9) 2_855 ?
Ag1 O1' 2.59(3) . ?
Ag1 O1 2.600(10) . ?
Ag1 Ag1 2.9192(12) 2_765 ?
N1 C3 1.336(10) . ?
N1 C1 1.336(11) . ?
N1 Ag1 2.184(6) 2_765 ?
N2 C1 1.342(11) . ?
N2 C2 1.360(11) . ?
N2 H2 0.8600 . ?
N3 C4 1.328(9) . ?
N3 C3 1.352(10) . ?
N4 C5 1.357(10) . ?
N4 C4 1.376(10) . ?
N4 H4 0.8600 . ?
N5 C4 1.297(11) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 C5 1.297(10) . ?
N6 H6A 0.8600 . ?
N6 H6B 0.8600 . ?
N7 O2' 1.10(4) . ?
N7 O3' 1.18(4) . ?
N7 O2 1.214(11) . ?
N7 O1 1.229(11) . ?
N7 O3 1.240(11) . ?
N7 O1' 1.36(3) . ?
N8 O6 1.209(10) . ?
N8 O5 1.213(10) . ?
N8 O4 1.254(10) . ?
O2 Ag1 2.537(9) 2_855 ?
C1 H1 0.9300 . ?
C2 C5 1.391(10) . ?
C2 C3 1.394(11) . ?

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 Ag1 N3 164.4(2) 2_765 . ?
N1 Ag1 O2 97.3(3) 2_765 2_855 ?
N3 Ag1 O2 94.3(3) . 2_855 ?
N1 Ag1 O1' 77.2(8) 2_765 . ?
N3 Ag1 O1' 116.0(8) . . ?
O2 Ag1 O1' 75.2(8) 2_855 . ?
N1 Ag1 O1 88.7(3) 2_765 . ?
N3 Ag1 O1 99.4(3) . . ?
O2 Ag1 O1 100.3(3) 2_855 . ?
O1' Ag1 O1 29.4(8) . . ?
N1 Ag1 Ag1 77.47(18) 2_765 2_765 ?
N3 Ag1 Ag1 88.32(16) . 2_765 ?
O2 Ag1 Ag1 162.5(3) 2_855 2_765 ?
O1' Ag1 Ag1 119.0(7) . 2_765 ?
O1 Ag1 Ag1 96.4(2) . 2_765 ?
C3 N1 C1 106.1(7) . . ?
C3 N1 Ag1 130.7(5) . 2_765 ?
C1 N1 Ag1 122.7(5) . 2_765 ?
C1 N2 C2 107.3(7) . . ?
C1 N2 H2 126.4 . . ?
C2 N2 H2 126.4 . . ?
C4 N3 C3 115.0(7) . . ?
C4 N3 Ag1 128.3(5) . . ?
C3 N3 Ag1 116.5(4) . . ?
C5 N4 C4 124.6(6) . . ?
C5 N4 H4 117.7 . . ?
C4 N4 H4 117.7 . . ?
C4 N5 H5A 120.0 . . ?
C4 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C5 N6 H6A 120.0 . . ?
C5 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
O2' N7 O3' 124(2) . . ?
O2' N7 O2 50.8(17) . . ?
O3' N7 O2 174.7(19) . . ?
O2' N7 O1 161(2) . . ?
O3' N7 O1 59.3(19) . . ?
O2 N7 O1 125.1(8) . . ?
O2' N7 O3 66.4(18) . . ?
O3' N7 O3 59.2(18) . . ?
O2 N7 O3 116.0(9) . . ?
O1 N7 O3 118.1(8) . . ?
O2' N7 O1' 127(2) . . ?
O3' N7 O1' 106(2) . . ?
O2 N7 O1' 79.2(15) . . ?
O1 N7 O1' 60.7(15) . . ?
O3 N7 O1' 146.8(17) . . ?
O6 N8 O5 126.3(10) . . ?
O6 N8 O4 116.5(9) . . ?
O5 N8 O4 117.2(8) . . ?
N7 O1 Ag1 114.2(7) . . ?
N7 O2 Ag1 136.8(7) . 2_855 ?
N7 O1' Ag1 109.4(18) . . ?
N1 C1 N2 111.3(7) . . ?
N1 C1 H1 124.4 . . ?
N2 C1 H1 124.4 . . ?
N2 C2 C5 133.7(7) . . ?
N2 C2 C3 105.7(7) . . ?
C5 C2 C3 120.0(7) . . ?
N1 C3 N3 126.0(7) . . ?
N1 C3 C2 109.7(7) . . ?
N3 C3 C2 124.3(7) . . ?
N5 C4 N3 121.1(7) . . ?
N5 C4 N4 116.6(7) . . ?
N3 C4 N4 122.3(7) . . ?
N6 C5 N4 119.7(7) . . ?
N6 C5 C2 126.7(8) . . ?
N4 C5 C2 113.7(7) . . ?

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
N1 Ag1 N3 C4 -155.6(8) 2_765 . . . ?
O2 Ag1 N3 C4 -17.3(7) 2_855 . . . ?
O1' Ag1 N3 C4 58.4(11) . . . . ?
O1 Ag1 N3 C4 83.9(7) . . . . ?
Ag1 Ag1 N3 C4 -179.9(6) 2_765 . . . ?
N1 Ag1 N3 C3 30.5(12) 2_765 . . . ?
O2 Ag1 N3 C3 168.9(5) 2_855 . . . ?
O1' Ag1 N3 C3 -115.5(10) . . . . ?
O1 Ag1 N3 C3 -90.0(6) . . . . ?
Ag1 Ag1 N3 C3 6.2(5) 2_765 . . . ?
O2' N7 O1 Ag1 177(6) . . . . ?
O3' N7 O1 Ag1 -77(3) . . . . ?
O2 N7 O1 Ag1 106.8(10) . . . . ?
O3 N7 O1 Ag1 -84.1(10) . . . . ?
O1' N7 O1 Ag1 57.9(17) . . . . ?
N1 Ag1 O1 N7 13.0(7) 2_765 . . . ?
N3 Ag1 O1 N7 179.6(7) . . . . ?
O2 Ag1 O1 N7 -84.2(7) 2_855 . . . ?
O1' Ag1 O1 N7 -52.6(16) . . . . ?
Ag1 Ag1 O1 N7 90.3(7) 2_765 . . . ?
O2' N7 O2 Ag1 159(3) . . . 2_855 ?
O3' N7 O2 Ag1 171(25) . . . 2_855 ?
O1 N7 O2 Ag1 -44.3(16) . . . 2_855 ?
O3 N7 O2 Ag1 146.5(9) . . . 2_855 ?
O1' N7 O2 Ag1 -2.3(18) . . . 2_855 ?
O2' N7 O1' Ag1 146(3) . . . . ?
O3' N7 O1' Ag1 -16(3) . . . . ?
O2 N7 O1' Ag1 163.5(17) . . . . ?
O1 N7 O1' Ag1 -55.4(12) . . . . ?
O3 N7 O1' Ag1 42(4) . . . . ?
N1 Ag1 O1' N7 -67.2(18) 2_765 . . . ?
N3 Ag1 O1' N7 103.9(18) . . . . ?
O2 Ag1 O1' N7 -168(2) 2_855 . . . ?
O1 Ag1 O1' N7 43.8(14) . . . . ?
Ag1 Ag1 O1' N7 0(2) 2_765 . . . ?
C3 N1 C1 N2 -1.0(11) . . . . ?
Ag1 N1 C1 N2 -174.5(6) 2_765 . . . ?
C2 N2 C1 N1 1.6(11) . . . . ?
C1 N2 C2 C5 -172.1(9) . . . . ?
C1 N2 C2 C3 -1.4(9) . . . . ?
C1 N1 C3 N3 178.1(8) . . . . ?
Ag1 N1 C3 N3 -9.3(12) 2_765 . . . ?
C1 N1 C3 C2 0.1(9) . . . . ?
Ag1 N1 C3 C2 172.8(5) 2_765 . . . ?
C4 N3 C3 N1 -175.6(7) . . . . ?
Ag1 N3 C3 N1 -0.9(10) . . . . ?
C4 N3 C3 C2 2.1(11) . . . . ?
Ag1 N3 C3 C2 176.8(6) . . . . ?
N2 C2 C3 N1 0.8(9) . . . . ?
C5 C2 C3 N1 173.1(7) . . . . ?
N2 C2 C3 N3 -177.2(7) . . . . ?
C5 C2 C3 N3 -4.9(12) . . . . ?
C3 N3 C4 N5 -179.1(7) . . . . ?
Ag1 N3 C4 N5 7.0(11) . . . . ?
C3 N3 C4 N4 1.3(11) . . . . ?
Ag1 N3 C4 N4 -172.6(5) . . . . ?
C5 N4 C4 N5 178.3(7) . . . . ?
C5 N4 C4 N3 -2.0(12) . . . . ?
C4 N4 C5 N6 178.9(7) . . . . ?
C4 N4 C5 C2 -0.7(11) . . . . ?
N2 C2 C5 N6 -6.0(15) . . . . ?
C3 C2 C5 N6 -175.7(8) . . . . ?
N2 C2 C5 N4 173.5(8) . . . . ?
C3 C2 C5 N4 3.9(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         1.272
_refine_diff_density_min         -1.662
_refine_diff_density_rms         0.159
