# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_RCS-2
_database_code_depnum_ccdc_archive 'CCDC 2336472'
loop_
_audit_author_name
_audit_author_address
'XUYING YU'
;fjirsm
China
;
_audit_update_record             
;
2024-02-29 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2024-02-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C32 H12 Dy2 Na2 O30 S4, 0.5(C14 H18 N2), 0.125[+ solvent]'
_chemical_formula_sum            'C39 H21 Dy2 N Na2 O30 S4'
_chemical_formula_weight         1482.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Dy Na'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'
'-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                   22.2834(2)
_cell_length_b                   30.0518(3)
_cell_length_c                   22.9729(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.3340(10)
_cell_angle_gamma                90
_cell_volume                     15357.9(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    28693
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      75.0400
_cell_measurement_theta_min      2.4560
_shelx_estimated_absorpt_T_max   0.380
_shelx_estimated_absorpt_T_min   0.327
_exptl_absorpt_coefficient_mu    12.000
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.26a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5760
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50401
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.157
_diffrn_reflns_theta_min         2.471
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     98.00 166.00   0.50    0.75    --  105.07 100.00-152.00  136
  2  ω     42.00 118.00   0.50    0.19    --   45.99  77.00   0.00  152
  3  ω     92.00 123.00   0.50    0.75    --  105.07  45.00   0.00   62
  4  ω    153.00 178.00   0.50    0.75    --  105.07  45.00   0.00   50
  5  ω     96.00 178.00   0.50    0.75    --  105.07  45.00 150.00  164
  6  ω     58.00 101.00   0.50    0.75    --  105.07 -77.00 120.00   86
  7  ω     42.00  68.00   0.50    0.75    --  105.07 -61.00 150.00   52
  8  ω     34.00  73.00   0.50    0.75    --  105.07 -61.00 120.00   78
  9  ω     35.00  63.00   0.50    0.75    --  105.07 -61.00  90.00   56
 10  ω     40.00  75.00   0.50    0.75    --  105.07 -61.00-120.00   70
 11  ω     36.00  75.00   0.50    0.75    --  105.07 -61.00 -30.00   78
 12  ω     -6.00  76.00   0.50    0.19    --   45.99-100.00 103.00  164
 13  ω     58.00 102.00   0.50    0.75    --  105.07-100.00 103.00   88
 14  ω    -23.00  23.00   0.50    0.19    --  -45.99  19.00-150.00   92
 15  ω    -17.00   9.00   0.50    0.19    --  -45.99  19.00-180.00   52
 16  ω    -63.00 -38.00   0.50    0.75    -- -104.50  61.00 -60.00   50
 17  ω    -68.00 -32.00   0.50    0.75    -- -104.50  61.00-120.00   72
 18  ω    -63.00 -31.00   0.50    0.75    -- -104.50  61.00  60.00   64
 19  ω    -68.00 -43.00   0.50    0.75    -- -104.50  61.00 150.00   50
 20  ω   -173.00-138.00   0.50    0.75    -- -104.50 -30.00 -60.00   70
 21  ω   -158.00-121.00   0.50    0.75    -- -104.50-100.00 103.00   74
 22  ω   -115.00 -89.00   0.50    0.75    -- -104.50 -30.00 -60.00   52
 23  ω   -105.00 -58.00   0.50    0.75    -- -104.50 100.00-152.00   94
 24  ω    -44.00  21.00   0.50    0.19    --  -45.99 100.00-152.00  130
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0236297000
_diffrn_orient_matrix_UB_12      -0.0443401000
_diffrn_orient_matrix_UB_13      -0.0233614000
_diffrn_orient_matrix_UB_21      0.0634310000
_diffrn_orient_matrix_UB_22      0.0201981000
_diffrn_orient_matrix_UB_23      -0.0016705000
_diffrn_orient_matrix_UB_31      0.0146814000
_diffrn_orient_matrix_UB_32      -0.0159336000
_diffrn_orient_matrix_UB_33      0.0629437000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13609
_reflns_number_total             15370
_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       'CrysAlisPro 1.171.44.26a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.92a 64-bit (release 05-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.44.26a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.695
_refine_diff_density_min         -2.030
_refine_diff_density_rms         0.159
_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     871
_refine_ls_number_reflns         15370
_refine_ls_number_restraints     858
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0696
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1188P)²+166.6698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1918
_refine_ls_wR_factor_ref         0.1985
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C40-C41
 1.54 with sigma of 0.02
 C34-C33
 1.54 with sigma of 0.02
 C22-C24B
 1.5 with sigma of 0.02
 S2A-O12A \\sim S2A-O13A \\sim S2A-O14A \\sim S2B-O12B \\sim S2B-O13B \\sim
S2B-O14B
 with sigma of 0.02
 O12A-O13A \\sim O12A-O14A \\sim O13A-O14A \\sim O12B-O13B \\sim O12B-O14B
\\sim O13B-O14B
 with sigma of 0.04
 S1A-O5A \\sim S1A-O6A \\sim S1A-O7A \\sim S1A-O5C \\sim S1A-O6C \\sim S1A-O7C
 with sigma of 0.02
 O5A-O6A \\sim O5A-O7A \\sim O6A-O7A \\sim O5C-O6C \\sim O5C-O7C \\sim O6C-O7C
 with sigma of 0.04
 S4B-O26B \\sim S4B-O27B \\sim S4B-O28B \\sim S4A-O26A \\sim S4A-O27A \\sim
S4A-O28A
 with sigma of 0.02
 O26A-O27A \\sim O26A-O28A \\sim O27A-O28A \\sim O26B-O27B \\sim O26B-O28B
\\sim O27B-O28B
 with sigma of 0.04
2. Uiso/Uaniso restraints and constraints
O12A \\sim O13A \\sim O14A \\sim O12B \\sim O13B \\sim O14B: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
O5A \\sim O6A \\sim O7A \\sim O5C \\sim O6C \\sim O7C: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O26A \\sim O27A \\sim O28A \\sim O26B \\sim O27B \\sim O28B: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(S4A) \\sim Ueq, Uanis(S4B) \\sim Ueq, Uanis(O28A) \\sim Ueq, Uanis(O26A)
\\sim Ueq, Uanis(O27A) \\sim Ueq, Uanis(O28B) \\sim Ueq, Uanis(O27B) \\sim Ueq,
Uanis(O26B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S2A) \\sim Ueq, Uanis(S2B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C31A) \\sim Ueq, Uanis(C31B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C30A) \\sim Ueq, Uanis(C30B) \\sim Ueq, Uanis(O4A) \\sim Ueq, Uanis(O4B)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C2A) \\sim Ueq, Uanis(C2B) \\sim Ueq, Uanis(C3A) \\sim Ueq, Uanis(C3B)
\\sim Ueq, Uanis(C8A) \\sim Ueq, Uanis(C8B) \\sim Ueq, Uanis(O3A) \\sim Ueq,
Uanis(O3B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13A) \\sim Ueq, Uanis(C13B) \\sim Ueq, Uanis(C14A) \\sim Ueq,
Uanis(C14B) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C15B) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O12A) \\sim Ueq, Uanis(O13A) \\sim Ueq, Uanis(O14A) \\sim Ueq,
Uanis(O12B) \\sim Ueq, Uanis(O13B) \\sim Ueq, Uanis(O14B) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O5B) \\sim Ueq, Uanis(O6B) \\sim Ueq, Uanis(O7B) \\sim Ueq, Uanis(S1A)
\\sim Ueq, Uanis(S1B) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O5A) \\sim Ueq, Uanis(O6A) \\sim Ueq, Uanis(O7A) \\sim Ueq, Uanis(O5C)
\\sim Ueq, Uanis(O6C) \\sim Ueq, Uanis(O7C) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O26B) \\sim Ueq, Uanis(O27B) \\sim Ueq, Uanis(O28B) \\sim Ueq,
Uanis(O26A) \\sim Ueq, Uanis(O27A) \\sim Ueq, Uanis(O28A) \\sim Ueq, Uanis(S4A)
\\sim Ueq, Uanis(S4B) \\sim Ueq, Uanis(O6B) \\sim Ueq, Uanis(S1B) \\sim Ueq,
Uanis(O7B) \\sim Ueq, Uanis(O5B) \\sim Ueq, Uanis(O14A) \\sim Ueq, Uanis(O13B)
\\sim Ueq, Uanis(O13A) \\sim Ueq, Uanis(S2A) \\sim Ueq, Uanis(O12A) \\sim Ueq,
Uanis(S2B) \\sim Ueq, Uanis(O12B) \\sim Ueq, Uanis(O14B) \\sim Ueq, Uanis(O6C)
\\sim Ueq, Uanis(O6A) \\sim Ueq, Uanis(O7C) \\sim Ueq, Uanis(O7A) \\sim Ueq,
Uanis(O5C) \\sim Ueq, Uanis(O5A) \\sim Ueq, Uanis(S1A) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(Na31) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq, Uanis(O14A) \\sim Ueq, Uanis(O14B) \\sim Ueq, Uanis(O2)
\\sim Ueq, Uanis(O19B) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O27A) \\sim Ueq,
Uanis(O9) \\sim Ueq, Uanis(O6B) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O27B)
\\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O21A) \\sim Ueq, Uanis(O15) \\sim Ueq,
Uanis(O12A) \\sim Ueq, Uanis(O16) \\sim Ueq, Uanis(O4B) \\sim Ueq, Uanis(O22)
\\sim Ueq, Uanis(O17B) \\sim Ueq, Uanis(O23) \\sim Ueq, Uanis(O21B) \\sim Ueq,
Uanis(O24) \\sim Ueq, Uanis(O12B) \\sim Ueq, Uanis(O25) \\sim Ueq, Uanis(O20A)
\\sim Ueq, Uanis(O29) \\sim Ueq, Uanis(O26A) \\sim Ueq, Uanis(O30) \\sim Ueq,
Uanis(O28A) \\sim Ueq, Uanis(O3A) \\sim Ueq, Uanis(O13A) \\sim Ueq, Uanis(O4A)
\\sim Ueq, Uanis(O3B) \\sim Ueq, Uanis(O5A) \\sim Ueq, Uanis(O5B) \\sim Ueq,
Uanis(O5C) \\sim Ueq, Uanis(O7B) \\sim Ueq, Uanis(O6A) \\sim Ueq, Uanis(O18B)
\\sim Ueq, Uanis(O6C) \\sim Ueq, Uanis(O20B) \\sim Ueq, Uanis(O7A) \\sim Ueq,
Uanis(O26B) \\sim Ueq, Uanis(O7C) \\sim Ueq, Uanis(O28B) \\sim Ueq, Uanis(O17A)
\\sim Ueq, Uanis(O13B) \\sim Ueq, Uanis(O18A) \\sim Ueq, Uanis(O19A) \\sim Ueq:
with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(S4A) = Uanis(S4B)
Uanis(C8A) = Uanis(C8B)
Uanis(O28A) = Uanis(O26A) = Uanis(O27A)
Uanis(O28B) = Uanis(O27B) = Uanis(O26B)
Uanis(O12A) = Uanis(O13A) = Uanis(O14A)
Uanis(O12B) = Uanis(O13B) = Uanis(O14B)
Uanis(S2A) = Uanis(S2B)
Uanis(O5A) = Uanis(O5C) = Uanis(O7A) = Uanis(O7C) = Uanis(O6A) = Uanis(O6C)
Uanis(C33) = Uanis(C34) = Uanis(N1) = Uanis(C35) = Uanis(C36) = Uanis(C37) =
Uanis(C38) = Uanis(C39) = Uanis(C40) = Uanis(C41) = Uanis(N2) = Uanis(C42) =
Uanis(C43) = Uanis(C44) = Uanis(C45) = Uanis(C46)
Uanis(O19B) = Uanis(O20B) = Uanis(O21B)
Uanis(C24A) = Uanis(C24B)
Uanis(O17A) = Uanis(O17B)
Uanis(O18A) = Uanis(O18B)
3. Rigid body (RIGU) restrains
 O12A, O13A, O14A, O12B, O13B, O14B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O5A, O6A, O7A, O5C, O6C, O7C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O26A, O27A, O28A, O26B, O27B, O28B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 S2B, S2A, O12A, O13A, O14A, O12B, O13B, O14B, C14A, C14B, S4A, O26A, O27A,
 O28A, S4B, O26B, O27B, O28B, C30A, C30B, S1A, O5A, O5C, O6A, O6C, O7A, O7C,
 O5B, C6A, S1B, O6B, O7B, C6B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Na31, O6B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Na31
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O1, O14A, O14B, O2, O19B, O8, O27A, O9, O6B, O10, O27B, O11, O21A, O15, O12A,
 O16, O4B, O22, O17B, O23, O21B, O24, O12B, O25, O20A, O29, O26A, O30, O28A,
 O3A, O13A, O4A, O3B, O5A, O5B, O5C, O7B, O6A, O18B, O6C, O20B, O7A, O26B, O7C,
 O28B, O17A, O13B, O18A, O19A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Fixed Sof: C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5) C34(0.5) H34A(0.5)
 H34B(0.5) N1(0.5) C35(0.5) H35(0.5) C36(0.5) H36(0.5) C37(0.5) C38(0.5)
 H38(0.5) C39(0.5) H39(0.5) S2B(0.44) C40(0.5) H40A(0.5) H40B(0.5) H40C(0.5)
 C41(0.5) H41A(0.5) H41B(0.5) N2(0.5) C42(0.5) H42(0.5) C43(0.5) H43(0.5)
 C44(0.5) C45(0.5) H45(0.5) C46(0.5) H46(0.5) S1A(0.5) S2A(0.56) S3A(0.75)
 S4A(0.5) O3A(0.5) O4A(0.5) O5A(0.25) O5C(0.25) O6A(0.25) O6C(0.25) O7A(0.25)
 O7C(0.25) O17A(0.75) O18A(0.75) O19A(0.75) O20A(0.75) O21A(0.75) O26A(0.5)
 O27A(0.5) O28A(0.5) C2A(0.5) C3A(0.5) H3A(0.5) C4A(0.5) C5A(0.5) H5A(0.5)
 C6A(0.5) C7A(0.5) H7A(0.5) C8A(0.5) O12A(0.56) O13A(0.56) C13A(0.56)
 H13A(0.56) O14A(0.56) C14A(0.56) C15A(0.56) H15A(0.56) C24A(0.75) C29A(0.5)
 H29A(0.5) C30A(0.5) C31A(0.5) H31A(0.5) S1B(0.5) S3B(0.25) S4B(0.5) O3B(0.5)
 O4B(0.5) O5B(0.5) O6B(0.5) O7B(0.5) O17B(0.25) O18B(0.25) O19B(0.25)
 O20B(0.25) O21B(0.25) O26B(0.5) O27B(0.5) O28B(0.5) C2B(0.5) C3B(0.5) H3B(0.5)
 C4B(0.5) C5B(0.5) H5B(0.5) C6B(0.5) C7B(0.5) H7B(0.5) C8B(0.5) O12B(0.44)
 O13B(0.44) C13B(0.44) H13B(0.44) O14B(0.44) C14B(0.44) C15B(0.44) H15B(0.44)
 C24B(0.25) C29B(0.5) H29B(0.5) C30B(0.5) C31B(0.5) H31B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C41(H41A,H41B)
5.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C19(H19), C21(H21), C23(H23), C27(H27), C35(H35), C36(H36),
 C38(H38), C39(H39), C42(H42), C43(H43), C45(H45), C46(H46), C3A(H3A), C5A(H5A),
  C7A(H7A), C13A(H13A), C15A(H15A), C29A(H29A), C31A(H31A), C3B(H3B), C5B(H5B),
 C7B(H7B), C13B(H13B), C15B(H15B), C29B(H29B), C31B(H31B)
5.c Fitted hexagon refined as free rotating group:
 N1(C35,C36,C37,C38,C39), N2(C42,C43,C44,C45,C46)
5.d Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C40(H40A,H40B,H40C)
;
_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
Dy1 Dy 0.38062(2) 0.58607(2) 0.33131(2) 0.02584(12) Uani 1 1 d . . . . .
Dy2 Dy 0.38001(2) 0.64878(2) 0.51087(2) 0.02722(12) Uani 1 1 d . . . . .
Na1 Na 0.52491(12) 0.41205(8) 0.32322(10) 0.0323(5) Uani 1 1 d . . . . .
Na2 Na 0.5000 0.45936(11) 0.7500 0.0301(7) Uani 1 2 d S T P . .
O1 O 0.29369(19) 0.61568(15) 0.36162(19) 0.0310(9) Uani 1 1 d . U . . .
O2 O 0.2992(2) 0.65381(15) 0.4450(2) 0.0333(10) Uani 1 1 d . U . . .
O8 O 0.38881(19) 0.60042(15) 0.60638(19) 0.0306(9) Uani 1 1 d . U . . .
O9 O 0.3013(2) 0.62403(15) 0.5679(2) 0.0334(9) Uani 1 1 d . U . . .
O10 O 0.3816(2) 0.48363(15) 0.7701(2) 0.0341(10) Uani 1 1 d . U . . .
O11 O 0.3028(2) 0.44014(18) 0.7651(2) 0.0441(11) Uani 1 1 d . U . . .
O15 O 0.52462(18) 0.44276(14) 0.65320(17) 0.0268(8) Uani 1 1 d . U . . .
O16 O 0.47792(19) 0.50732(14) 0.66396(19) 0.0302(9) Uani 1 1 d . U . . .
O22 O 0.4218(2) 0.63775(15) 0.40207(19) 0.0312(9) Uani 1 1 d . U . . .
O23 O 0.4265(2) 0.70234(16) 0.4481(2) 0.0368(10) Uani 1 1 d . U . . .
O24 O 0.5719(2) 0.60410(15) 0.25696(19) 0.0328(9) Uani 1 1 d . U . . .
O25 O 0.6257(2) 0.65753(16) 0.2214(2) 0.0379(10) Uani 1 1 d . U . . .
O29 O 0.5523(2) 0.33725(17) 0.3047(2) 0.0423(11) Uani 1 1 d . U . . .
O30 O 0.4325(2) 0.42825(16) 0.2680(2) 0.0348(10) Uani 1 1 d . U . . .
Na31 Na 0.0000 0.7637(4) 0.2500 0.147(3) Uani 1 2 d S TU P A 2
C1 C 0.2772(3) 0.6456(2) 0.3953(3) 0.0309(13) Uani 1 1 d . . . . .
C9 C 0.3329(3) 0.5987(2) 0.6024(3) 0.0317(13) Uani 1 1 d . . . . .
C10 C 0.2992(3) 0.5655(2) 0.6379(3) 0.0377(15) Uani 1 1 d . . . . .
C11 C 0.3294(3) 0.5354(2) 0.6742(3) 0.0333(13) Uani 1 1 d . . . . .
H11 H 0.3721 0.5350 0.6766 0.040 Uiso 1 1 calc R U . . .
C12 C 0.2979(3) 0.5059(3) 0.7071(3) 0.0434(17) Uani 1 1 d . . . . .
C16 C 0.3293(3) 0.4747(2) 0.7495(3) 0.0354(14) Uani 1 1 d . . . . .
C17 C 0.4900(3) 0.47464(19) 0.6342(2) 0.0253(11) Uani 1 1 d . . . . .
C18 C 0.4630(3) 0.4693(2) 0.5732(2) 0.0266(12) Uani 1 1 d . . . . .
C19 C 0.4304(3) 0.5039(2) 0.5462(3) 0.0283(12) Uani 1 1 d . . . . .
H19 H 0.4234 0.5305 0.5671 0.034 Uiso 1 1 calc R U . . .
C20 C 0.4080(3) 0.4995(2) 0.4887(3) 0.0305(13) Uani 1 1 d . . . . .
C21 C 0.4173(3) 0.4597(2) 0.4577(2) 0.0265(12) Uani 1 1 d . . . . .
H21 H 0.4020 0.4563 0.4185 0.032 Uiso 1 1 calc R U . . .
C22 C 0.4490(3) 0.4258(2) 0.4856(3) 0.0308(13) Uani 1 1 d D . . . .
C23 C 0.4721(3) 0.4304(2) 0.5433(3) 0.0303(13) Uani 1 1 d . . . . .
H23 H 0.4939 0.4067 0.5619 0.036 Uiso 1 1 calc R U . . .
C25 C 0.4443(3) 0.6769(2) 0.4094(3) 0.0328(13) Uani 1 1 d . . . . .
C26 C 0.4940(4) 0.6910(2) 0.3736(3) 0.0439(17) Uani 1 1 d . . . . .
C27 C 0.5201(3) 0.6616(2) 0.3359(3) 0.0329(13) Uani 1 1 d . . . . .
H27 H 0.5064 0.6317 0.3338 0.039 Uiso 1 1 calc R U . . .
C28 C 0.5659(4) 0.6750(2) 0.3012(3) 0.0419(16) Uani 1 1 d . . . . .
C32 C 0.5892(3) 0.6438(2) 0.2577(3) 0.0354(14) Uani 1 1 d . . . . .
C33 C -0.0040(11) 0.7082(7) 0.4306(10) 0.0795(16) Uani 0.5 1 d D . P B 2
H33A H -0.0299 0.6834 0.4171 0.119 Uiso 0.5 1 calc R U P B 2
H33B H 0.0193 0.6994 0.4662 0.119 Uiso 0.5 1 calc R U P B 2
H33C H 0.0235 0.7157 0.4003 0.119 Uiso 0.5 1 calc R U P B 2
C34 C -0.0418(10) 0.7476(7) 0.4429(10) 0.0795(16) Uani 0.5 1 d D . P B 2
H34A H -0.0158 0.7742 0.4480 0.095 Uiso 0.5 1 calc R U P B 2
H34B H -0.0618 0.7427 0.4797 0.095 Uiso 0.5 1 calc R U P B 2
N1 N -0.0897(6) 0.7560(5) 0.3929(5) 0.0795(16) Uani 0.5 1 d G . P B 2
C35 C -0.0786(5) 0.7860(5) 0.3487(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H35 H -0.0414 0.8014 0.3492 0.095 Uiso 0.5 1 calc R U P B 2
C36 C -0.1220(7) 0.7933(5) 0.3037(5) 0.0795(16) Uani 0.5 1 d G . P B 2
H36 H -0.1144 0.8137 0.2735 0.095 Uiso 0.5 1 calc R U P B 2
C37 C -0.1765(6) 0.7707(5) 0.3030(6) 0.0795(16) Uani 0.5 1 d G . P B 2
C38 C -0.1876(5) 0.7407(5) 0.3473(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H38 H -0.2248 0.7253 0.3468 0.095 Uiso 0.5 1 calc R U P B 2
C39 C -0.1442(7) 0.7334(5) 0.3922(5) 0.0795(16) Uani 0.5 1 d G . P B 2
H39 H -0.1518 0.7130 0.4225 0.095 Uiso 0.5 1 calc R U P B 2
S2B S 0.1251(3) 0.5224(3) 0.6405(3) 0.0839(10) Uani 0.44 1 d D U P C 2
C40 C -0.3215(12) 0.8161(7) 0.0540(9) 0.0795(16) Uani 0.5 1 d D . P B 2
H40A H -0.2812 0.8279 0.0637 0.119 Uiso 0.5 1 calc R U P B 2
H40B H -0.3510 0.8402 0.0550 0.119 Uiso 0.5 1 calc R U P B 2
H40C H -0.3229 0.8030 0.0148 0.119 Uiso 0.5 1 calc R U P B 2
C41 C -0.3356(12) 0.7822(8) 0.0960(9) 0.0795(16) Uani 0.5 1 d D . P B 2
H41A H -0.3353 0.7528 0.0764 0.095 Uiso 0.5 1 calc R U P B 2
H41B H -0.3769 0.7874 0.1080 0.095 Uiso 0.5 1 calc R U P B 2
N2 N -0.2947(6) 0.7799(5) 0.1492(5) 0.0795(16) Uani 0.5 1 d G . P B 2
C42 C -0.2504(7) 0.8119(4) 0.1601(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H42 H -0.2462 0.8357 0.1335 0.095 Uiso 0.5 1 calc R U P B 2
C43 C -0.2121(7) 0.8090(5) 0.2099(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H43 H -0.1818 0.8308 0.2174 0.095 Uiso 0.5 1 calc R U P B 2
C44 C -0.2181(7) 0.7741(5) 0.2489(5) 0.0795(16) Uani 0.5 1 d G . P B 2
C45 C -0.2624(7) 0.7421(4) 0.2380(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H45 H -0.2666 0.7183 0.2647 0.095 Uiso 0.5 1 calc R U P B 2
C46 C -0.3007(6) 0.7450(4) 0.1882(6) 0.0795(16) Uani 0.5 1 d G . P B 2
H46 H -0.3310 0.7231 0.1808 0.095 Uiso 0.5 1 calc R U P B 2
S1A S 0.1764(3) 0.7207(2) 0.2085(3) 0.0925(16) Uani 0.5 1 d D U P D 1
S2A S 0.1260(3) 0.5454(2) 0.6696(3) 0.0839(10) Uani 0.56 1 d D U P E 1
S3A S 0.45727(9) 0.37486(6) 0.44984(8) 0.0227(4) Uani 0.75 1 d . . P F 1
S4A S 0.6000(4) 0.8009(4) 0.3616(4) 0.1042(13) Uani 0.5 1 d D U P G 2
O3A O 0.1802(6) 0.7850(4) 0.4689(5) 0.030(3) Uani 0.5 1 d . U P D 1
O4A O 0.1052(5) 0.8023(4) 0.4052(5) 0.026(3) Uani 0.5 1 d . U P D 1
O5A O 0.1312(12) 0.6860(9) 0.2132(16) 0.0927(17) Uani 0.25 1 d D U P D 1
O5C O 0.1697(14) 0.6761(7) 0.1866(15) 0.0927(17) Uani 0.25 1 d D U P D 1
O6A O 0.1530(14) 0.7646(7) 0.1979(17) 0.0927(17) Uani 0.25 1 d D U P D 1
O6C O 0.1219(11) 0.7460(10) 0.1955(16) 0.0927(17) Uani 0.25 1 d D U P D 1
O7A O 0.2273(12) 0.7069(10) 0.1786(15) 0.0927(17) Uani 0.25 1 d D U P D 1
O7C O 0.2301(11) 0.7426(10) 0.1924(16) 0.0927(17) Uani 0.25 1 d D U P D 1
O17A O 0.3785(3) 0.5755(2) 0.4845(3) 0.0231(13) Uani 0.75 1 d . U P H 1
O18A O 0.3671(3) 0.5357(2) 0.4033(3) 0.0225(13) Uani 0.75 1 d . U P H 1
O19A O 0.4606(3) 0.3864(3) 0.3901(3) 0.0306(17) Uani 0.75 1 d . U P F 1
O20A O 0.4098(3) 0.3455(2) 0.4659(3) 0.0335(13) Uani 0.75 1 d . U P F 1
O21A O 0.5202(3) 0.3616(2) 0.4717(3) 0.0279(16) Uani 0.75 1 d . U P F 1
O26A O 0.5617(8) 0.8288(6) 0.3850(9) 0.1071(17) Uani 0.5 1 d D U P G 2
O27A O 0.6356(8) 0.7815(7) 0.4073(8) 0.1071(17) Uani 0.5 1 d D U P G 2
O28A O 0.6471(8) 0.8068(7) 0.3287(8) 0.1071(17) Uani 0.5 1 d D U P G 2
C2A C 0.2356(8) 0.6795(6) 0.3690(8) 0.034(4) Uani 0.5 1 d . U P D 1
C3A C 0.2125(9) 0.7108(8) 0.4054(12) 0.017(4) Uani 0.5 1 d . U P D 1
H3A H 0.2245 0.7108 0.4458 0.021 Uiso 0.5 1 calc R U P D 1
C4A C 0.1705(10) 0.7431(7) 0.3828(9) 0.034(4) Uani 0.5 1 d . . P D 1
C5A C 0.1589(10) 0.7453(7) 0.3228(7) 0.061(5) Uani 0.5 1 d . . P D 1
H5A H 0.1325 0.7677 0.3072 0.073 Uiso 0.5 1 calc R U P D 1
C6A C 0.1847(12) 0.7160(9) 0.2851(12) 0.086(3) Uani 0.5 1 d . U P D 1
C7A C 0.2215(11) 0.6806(7) 0.3104(7) 0.072(7) Uani 0.5 1 d . . P D 1
H7A H 0.2359 0.6579 0.2861 0.087 Uiso 0.5 1 calc R U P D 1
C8A C 0.1490(10) 0.7771(11) 0.4227(15) 0.024(3) Uani 0.5 1 d . U P D 1
O12A O 0.1043(7) 0.5184(5) 0.7104(6) 0.0914(14) Uani 0.56 1 d D U P E 1
O13A O 0.1133(7) 0.5899(4) 0.6844(7) 0.0914(14) Uani 0.56 1 d D U P E 1
C13A C 0.2363(9) 0.5110(6) 0.7094(8) 0.044(4) Uani 0.56 1 d . U P E 1
H13A H 0.2145 0.4935 0.7354 0.052 Uiso 0.56 1 calc R U P E 1
O14A O 0.1060(7) 0.5421(6) 0.6074(5) 0.0914(14) Uani 0.56 1 d D U P E 1
C14A C 0.2073(10) 0.5417(7) 0.6736(10) 0.071(4) Uani 0.56 1 d . U P E 1
C15A C 0.2380(8) 0.5701(6) 0.6386(8) 0.037(4) Uani 0.56 1 d . U P E 1
H15A H 0.2173 0.5922 0.6157 0.044 Uiso 0.56 1 calc R U P E 1
C24A C 0.3837(5) 0.5405(3) 0.4566(4) 0.029(2) Uani 0.75 1 d . . P H 1
C29A C 0.598(2) 0.7133(12) 0.3156(17) 0.064(9) Uani 0.5 1 d . . P G 2
H29A H 0.6364 0.7186 0.3012 0.077 Uiso 0.5 1 calc R U P G 2
C30A C 0.5708(14) 0.7446(11) 0.3528(14) 0.095(4) Uani 0.5 1 d . U P G 2
C31A C 0.5266(9) 0.7313(7) 0.3871(9) 0.047(4) Uani 0.5 1 d . U P G 2
H31A H 0.5172 0.7487 0.4199 0.057 Uiso 0.5 1 calc R U P G 2
S1B S 0.0836(3) 0.6607(2) 0.2535(3) 0.0750(12) Uani 0.5 1 d . U P A 2
S3B S 0.3535(5) 0.5333(3) 0.4611(3) 0.0404(18) Uani 0.25 1 d . . P H 2
S4B S 0.5712(4) 0.8082(3) 0.3299(4) 0.1042(13) Uani 0.5 1 d D U P G 1
O3B O 0.1673(5) 0.7797(3) 0.4720(4) 0.018(2) Uani 0.5 1 d . U P A 2
O4B O 0.0917(5) 0.7962(4) 0.4123(5) 0.025(3) Uani 0.5 1 d . U P A 2
O5B O 0.1149(8) 0.6336(6) 0.2207(7) 0.085(2) Uani 0.5 1 d . U P A 2
O6B O 0.0569(8) 0.6981(6) 0.2258(8) 0.092(2) Uani 0.5 1 d . U P A 2
O7B O 0.0456(8) 0.6304(6) 0.2814(8) 0.090(3) Uani 0.5 1 d . U P A 2
O17B O 0.5081(10) 0.3550(7) 0.4752(10) 0.0231(13) Uani 0.25 1 d . U P F 2
O18B O 0.4459(10) 0.3815(7) 0.3881(9) 0.0225(13) Uani 0.25 1 d . U P F 2
O19B O 0.3509(11) 0.5292(8) 0.3989(10) 0.036(3) Uani 0.25 1 d . U P H 2
O20B O 0.2930(8) 0.5233(6) 0.4843(8) 0.036(3) Uani 0.25 1 d . U P H 2
O21B O 0.3620(11) 0.5724(8) 0.4876(11) 0.036(3) Uani 0.25 1 d . U P H 2
O26B O 0.5238(8) 0.8318(7) 0.3484(8) 0.1061(17) Uani 0.5 1 d D U P G 1
O27B O 0.5843(9) 0.8198(7) 0.2757(7) 0.1061(17) Uani 0.5 1 d D U P G 1
O28B O 0.6169(9) 0.7971(9) 0.3742(9) 0.1061(17) Uani 0.5 1 d D U P G 1
C2B C 0.2174(7) 0.6688(5) 0.3778(7) 0.021(3) Uani 0.5 1 d . U P A 2
C3B C 0.1984(10) 0.7054(10) 0.4092(14) 0.026(5) Uani 0.5 1 d . U P A 2
H3B H 0.2198 0.7125 0.4449 0.031 Uiso 0.5 1 calc R U P A 2
C4B C 0.1520(8) 0.7310(6) 0.3921(10) 0.028(4) Uani 0.5 1 d . . P A 2
C5B C 0.1181(7) 0.7185(5) 0.3432(7) 0.047(4) Uani 0.5 1 d . . P A 2
H5B H 0.0853 0.7367 0.3294 0.057 Uiso 0.5 1 calc R U P A 2
C6B C 0.1308(9) 0.6801(6) 0.3138(9) 0.058(3) Uani 0.5 1 d . U P A 2
C7B C 0.1820(7) 0.6557(5) 0.3307(6) 0.040(3) Uani 0.5 1 d . . P A 2
H7B H 0.1922 0.6300 0.3094 0.048 Uiso 0.5 1 calc R U P A 2
C8B C 0.1357(10) 0.7726(11) 0.4261(15) 0.024(3) Uani 0.5 1 d . U P A 2
O12B O 0.1003(9) 0.4991(6) 0.6831(7) 0.0884(14) Uani 0.44 1 d D U P C 2
O13B O 0.1054(9) 0.5672(5) 0.6292(9) 0.0884(14) Uani 0.44 1 d D U P C 2
C13B C 0.2366(12) 0.4986(8) 0.6921(11) 0.045(6) Uani 0.44 1 d . U P C 2
H13B H 0.2160 0.4742 0.7080 0.054 Uiso 0.44 1 calc R U P C 2
O14B O 0.1227(9) 0.4952(6) 0.5924(7) 0.0884(14) Uani 0.44 1 d D U P C 2
C14B C 0.2072(14) 0.5273(10) 0.6539(13) 0.074(4) Uani 0.44 1 d . U P C 2
C15B C 0.2375(12) 0.5567(8) 0.6235(11) 0.043(6) Uani 0.44 1 d . U P C 2
H15B H 0.2176 0.5720 0.5918 0.052 Uiso 0.44 1 calc R U P C 2
C24B C 0.4782(14) 0.3889(8) 0.4490(11) 0.029(2) Uani 0.25 1 d D . P F 2
C29B C 0.5799(16) 0.7216(9) 0.2977(14) 0.052(7) Uani 0.5 1 d . . P G 1
H29B H 0.6089 0.7322 0.2723 0.062 Uiso 0.5 1 calc R U P G 1
C30B C 0.5500(15) 0.7500(11) 0.3322(14) 0.095(4) Uani 0.5 1 d . U P G 1
C31B C 0.5055(9) 0.7363(6) 0.3669(8) 0.043(4) Uani 0.5 1 d . U P G 1
H31B H 0.4825 0.7577 0.3865 0.052 Uiso 0.5 1 calc R U P G 1


_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
Dy1 Na2 3.6065(13) 5_666 ?
Dy1 O1 2.277(4) . ?
Dy1 O10 2.523(5) 6_565 ?
Dy1 O11 2.375(5) 6_565 ?
Dy1 O15 2.291(4) 5_666 ?
Dy1 O22 2.392(4) . ?
Dy1 O24 2.402(4) 2_655 ?
Dy1 O25 2.465(5) 2_655 ?
Dy1 C16 2.814(7) 6_565 ?
Dy1 C32 2.793(7) 2_655 ?
Dy1 O18A 2.274(6) . ?
Dy1 O19B 2.43(2) . ?
Dy2 O2 2.290(5) . ?
Dy2 O8 2.630(4) . ?
Dy2 O9 2.369(5) . ?
Dy2 O23 2.433(5) . ?
Dy2 O3A 2.460(12) 7_566 ?
Dy2 O4A 2.432(10) 7_566 ?
Dy2 O17A 2.284(7) . ?
Dy2 O21A 2.258(7) 5_666 ?
Dy2 O3B 2.436(10) 7_566 ?
Dy2 O4B 2.474(10) 7_566 ?
Dy2 O17B 2.50(2) 5_666 ?
Dy2 O21B 2.39(3) . ?
Na1 Na1 3.481(5) 2_655 ?
Na1 O8 2.468(5) 5_666 ?
Na1 O16 2.442(5) 5_666 ?
Na1 O29 2.374(6) . ?
Na1 O30 2.405(5) . ?
Na1 O30 2.400(5) 2_655 ?
Na1 O19A 2.295(8) . ?
Na1 O18B 2.54(2) . ?
Na2 Dy1 3.6064(13) 5_666 ?
Na2 Dy1 3.6064(13) 6_566 ?
Na2 O10 2.801(5) . ?
Na2 O10 2.801(5) 2_656 ?
Na2 O15 2.374(4) . ?
Na2 O15 2.374(4) 2_656 ?
Na2 O16 2.472(5) . ?
Na2 O16 2.472(5) 2_656 ?
Na2 O24 2.490(5) 5_666 ?
Na2 O24 2.490(5) 6_566 ?
Na2 C17 2.696(6) 2_656 ?
Na2 C17 2.696(6) . ?
O1 C1 1.254(7) . ?
O2 C1 1.240(8) . ?
O8 Na1 2.468(5) 5_666 ?
O8 C9 1.245(8) . ?
O9 C9 1.280(8) . ?
O10 Dy1 2.523(5) 6_566 ?
O10 C16 1.261(8) . ?
O11 Dy1 2.375(5) 6_566 ?
O11 C16 1.257(8) . ?
O15 Dy1 2.291(4) 5_666 ?
O15 C17 1.290(7) . ?
O16 Na1 2.442(5) 5_666 ?
O16 C17 1.235(7) . ?
O22 C25 1.285(8) . ?
O23 C25 1.254(8) . ?
O24 Dy1 2.402(4) 2_655 ?
O24 Na2 2.490(5) 5_666 ?
O24 C32 1.253(8) . ?
O25 Dy1 2.465(5) 2_655 ?
O25 C32 1.269(8) . ?
O29 Na31 2.767(11) 3_545 ?
O30 Na1 2.400(5) 2_655 ?
Na31 O29 2.767(11) 3_455 ?
Na31 O29 2.767(11) 4 ?
Na31 C35 3.020(15) . ?
Na31 C35 3.02(3) 2 ?
Na31 O6B 2.42(2) 2 ?
Na31 O6B 2.42(2) . ?
C1 C2A 1.484(19) . ?
C1 C2B 1.537(15) . ?
C9 C10 1.514(10) . ?
C10 C11 1.377(9) . ?
C10 C15A 1.37(2) . ?
C10 C15B 1.42(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(10) . ?
C12 C16 1.497(10) . ?
C12 C13A 1.38(2) . ?
C12 C13B 1.41(3) . ?
C16 Dy1 2.814(7) 6_566 ?
C17 C18 1.502(8) . ?
C18 C19 1.393(8) . ?
C18 C23 1.376(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.391(8) . ?
C20 C21 1.414(8) . ?
C20 C24A 1.519(12) . ?
C20 S3B 1.679(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.376(8) . ?
C22 C23 1.400(9) . ?
C22 S3A 1.753(6) . ?
C22 C24B 1.558(17) . ?
C23 H23 0.9500 . ?
C25 C26 1.481(10) . ?
C26 C27 1.386(9) . ?
C26 C31A 1.44(2) . ?
C26 C31B 1.396(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(10) . ?
C28 C32 1.486(10) . ?
C28 C29A 1.38(4) . ?
C28 C29B 1.44(3) . ?
C32 Dy1 2.793(7) 2_655 ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 C34 1.490(18) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 N1 1.54(3) . ?
N1 C35 1.3900 . ?
N1 C39 1.3900 . ?
C35 H35 0.9500 . ?
C35 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C37 C44 1.512(14) . ?
C38 H38 0.9500 . ?
C38 C39 1.3900 . ?
C39 H39 0.9500 . ?
S2B O12B 1.347(13) . ?
S2B O13B 1.434(13) . ?
S2B O14B 1.373(13) . ?
S2B C14B 1.84(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C40 C41 1.451(17) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 N2 1.48(2) . ?
N2 C42 1.3900 . ?
N2 C46 1.3900 . ?
C42 H42 0.9500 . ?
C42 C43 1.3900 . ?
C43 H43 0.9500 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C46 1.3900 . ?
C46 H46 0.9500 . ?
S1A O5A 1.459(18) . ?
S1A O5C 1.438(18) . ?
S1A O6A 1.432(19) . ?
S1A O6C 1.448(18) . ?
S1A O7A 1.422(18) . ?
S1A O7C 1.433(19) . ?
S1A C6A 1.77(3) . ?
S2A O12A 1.350(12) . ?
S2A O13A 1.413(12) . ?
S2A O14A 1.474(12) . ?
S2A C14A 1.81(2) . ?
S3A O19A 1.422(8) . ?
S3A O20A 1.443(6) . ?
S3A O21A 1.515(7) . ?
S4A O26A 1.331(14) . ?
S4A O27A 1.405(15) . ?
S4A O28A 1.343(14) . ?
S4A C30A 1.82(4) . ?
O3A Dy2 2.460(12) 7_566 ?
O3A C8A 1.26(3) . ?
O4A Dy2 2.432(10) 7_566 ?
O4A C8A 1.28(3) . ?
O5A O5C 1.12(4) . ?
O5C O7A 1.60(4) . ?
O6A O6C 0.89(4) . ?
O7A O7C 1.12(4) . ?
O17A C24A 1.241(12) . ?
O18A C24A 1.268(12) . ?
O21A Dy2 2.258(7) 5_666 ?
C2A C3A 1.38(3) . ?
C2A C7A 1.37(2) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.43(3) . ?
C4A C5A 1.39(3) . ?
C4A C8A 1.47(4) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.38(3) . ?
C6A C7A 1.44(3) . ?
C7A H7A 0.9500 . ?
C8A Dy2 2.80(3) 7_566 ?
C13A H13A 0.9500 . ?
C13A C14A 1.37(3) . ?
C14A C15A 1.38(3) . ?
C15A H15A 0.9500 . ?
C29A H29A 0.9500 . ?
C29A C30A 1.43(5) . ?
C30A C31A 1.36(4) . ?
C31A H31A 0.9500 . ?
S1B O5B 1.336(18) . ?
S1B O6B 1.407(19) . ?
S1B O7B 1.420(19) . ?
S1B C6B 1.79(2) . ?
S3B O19B 1.43(2) . ?
S3B O20B 1.51(2) . ?
S3B O21B 1.33(3) . ?
S4B O26B 1.359(14) . ?
S4B O27B 1.342(14) . ?
S4B O28B 1.438(14) . ?
S4B C30B 1.81(3) . ?
O3B Dy2 2.436(10) 7_566 ?
O3B C8B 1.25(3) . ?
O4B Dy2 2.474(10) 7_566 ?
O4B C8B 1.24(3) . ?
O17B Dy2 2.50(2) 5_666 ?
O17B C24B 1.34(3) . ?
O18B C24B 1.55(4) . ?
C2B C3B 1.40(3) . ?
C2B C7B 1.36(2) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.33(3) . ?
C4B C5B 1.37(2) . ?
C4B C8B 1.53(4) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.38(2) . ?
C6B C7B 1.39(2) . ?
C7B H7B 0.9500 . ?
C8B Dy2 2.80(3) 7_566 ?
C13B H13B 0.9500 . ?
C13B C14B 1.37(4) . ?
C14B C15B 1.33(4) . ?
C15B H15B 0.9500 . ?
C29B H29B 0.9500 . ?
C29B C30B 1.37(5) . ?
C30B C31B 1.37(4) . ?
C31B H31B 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
O1 Dy1 Na2 166.52(11) . 5_666 ?
O1 Dy1 O10 121.99(15) . 6_565 ?
O1 Dy1 O11 73.91(17) . 6_565 ?
O1 Dy1 O15 153.25(15) . 5_666 ?
O1 Dy1 O22 80.67(15) . . ?
O1 Dy1 O24 126.43(15) . 2_655 ?
O1 Dy1 O25 77.53(16) . 2_655 ?
O1 Dy1 C16 97.92(18) . 6_565 ?
O1 Dy1 C32 103.08(18) . 2_655 ?
O1 Dy1 O19B 79.1(6) . . ?
O10 Dy1 Na2 50.71(11) 6_565 5_666 ?
O10 Dy1 C16 26.62(17) 6_565 6_565 ?
O10 Dy1 C32 95.57(17) 6_565 2_655 ?
O11 Dy1 Na2 94.36(13) 6_565 5_666 ?
O11 Dy1 O10 52.94(16) 6_565 6_565 ?
O11 Dy1 O22 152.60(16) 6_565 . ?
O11 Dy1 O24 82.82(17) 6_565 2_655 ?
O11 Dy1 O25 87.45(18) 6_565 2_655 ?
O11 Dy1 C16 26.32(19) 6_565 6_565 ?
O11 Dy1 C32 86.2(2) 6_565 2_655 ?
O11 Dy1 O19B 87.7(6) 6_565 . ?
O15 Dy1 Na2 40.22(10) 5_666 5_666 ?
O15 Dy1 O10 74.63(15) 5_666 6_565 ?
O15 Dy1 O11 127.35(16) 5_666 6_565 ?
O15 Dy1 O22 80.00(15) 5_666 . ?
O15 Dy1 O24 76.68(15) 5_666 2_655 ?
O15 Dy1 O25 115.58(15) 5_666 2_655 ?
O15 Dy1 C16 101.16(17) 5_666 6_565 ?
O15 Dy1 C32 95.15(18) 5_666 2_655 ?
O15 Dy1 O19B 85.3(6) 5_666 . ?
O22 Dy1 Na2 109.41(11) . 5_666 ?
O22 Dy1 O10 154.43(15) . 6_565 ?
O22 Dy1 O24 104.88(15) . 2_655 ?
O22 Dy1 O25 77.10(16) . 2_655 ?
O22 Dy1 C16 178.49(17) . 6_565 ?
O22 Dy1 C32 89.74(18) . 2_655 ?
O22 Dy1 O19B 97.5(6) . . ?
O24 Dy1 Na2 43.47(11) 2_655 5_666 ?
O24 Dy1 O10 72.45(15) 2_655 6_565 ?
O24 Dy1 O25 53.47(16) 2_655 2_655 ?
O24 Dy1 C16 76.39(17) 2_655 6_565 ?
O24 Dy1 C32 26.57(18) 2_655 2_655 ?
O24 Dy1 O19B 148.1(6) 2_655 . ?
O25 Dy1 Na2 95.65(12) 2_655 5_666 ?
O25 Dy1 O10 116.86(16) 2_655 6_565 ?
O25 Dy1 C16 103.18(18) 2_655 6_565 ?
O25 Dy1 C32 27.00(18) 2_655 2_655 ?
C16 Dy1 Na2 72.07(14) 6_565 5_666 ?
C32 Dy1 Na2 68.88(15) 2_655 5_666 ?
C32 Dy1 C16 91.1(2) 2_655 6_565 ?
O18A Dy1 Na2 104.92(16) . 5_666 ?
O18A Dy1 O1 83.50(19) . . ?
O18A Dy1 O10 81.86(18) . 6_565 ?
O18A Dy1 O11 97.0(2) . 6_565 ?
O18A Dy1 O15 78.19(18) . 5_666 ?
O18A Dy1 O22 90.00(18) . . ?
O18A Dy1 O24 147.88(19) . 2_655 ?
O18A Dy1 O25 158.49(19) . 2_655 ?
O18A Dy1 C16 89.3(2) . 6_565 ?
O18A Dy1 C32 173.3(2) . 2_655 ?
O19B Dy1 Na2 107.6(5) . 5_666 ?
O19B Dy1 O10 77.5(6) . 6_565 ?
O19B Dy1 O25 156.6(6) . 2_655 ?
O19B Dy1 C16 81.7(6) . 6_565 ?
O19B Dy1 C32 172.7(6) . 2_655 ?
O2 Dy2 O8 127.29(15) . . ?
O2 Dy2 O9 78.90(16) . . ?
O2 Dy2 O23 84.85(16) . . ?
O2 Dy2 O3A 69.8(3) . 7_566 ?
O2 Dy2 O4A 123.3(3) . 7_566 ?
O2 Dy2 O3B 73.6(3) . 7_566 ?
O2 Dy2 O4B 125.8(3) . 7_566 ?
O2 Dy2 O17B 146.0(5) . 5_666 ?
O2 Dy2 O21B 78.4(6) . . ?
O9 Dy2 O8 52.15(14) . . ?
O9 Dy2 O23 152.91(16) . . ?
O9 Dy2 O3A 73.8(3) . 7_566 ?
O9 Dy2 O4A 79.7(3) . 7_566 ?
O9 Dy2 O3B 81.2(3) . 7_566 ?
O9 Dy2 O4B 88.9(3) . 7_566 ?
O9 Dy2 O17B 132.9(5) . 5_666 ?
O9 Dy2 O21B 72.6(6) . . ?
O23 Dy2 O8 147.85(15) . . ?
O23 Dy2 O3A 80.4(3) . 7_566 ?
O23 Dy2 O3B 73.5(3) . 7_566 ?
O23 Dy2 O4B 83.2(3) . 7_566 ?
O23 Dy2 O17B 69.5(5) . 5_666 ?
O3A Dy2 O8 107.7(3) 7_566 . ?
O4A Dy2 O8 70.9(3) 7_566 . ?
O4A Dy2 O23 91.6(3) 7_566 . ?
O4A Dy2 O3A 53.9(4) 7_566 7_566 ?
O17A Dy2 O2 83.62(19) . . ?
O17A Dy2 O8 71.82(19) . . ?
O17A Dy2 O9 81.02(18) . . ?
O17A Dy2 O23 118.73(19) . . ?
O17A Dy2 O3A 146.1(3) . 7_566 ?
O17A Dy2 O4A 142.5(3) . 7_566 ?
O21A Dy2 O2 148.8(2) 5_666 . ?
O21A Dy2 O8 75.6(2) 5_666 . ?
O21A Dy2 O9 127.7(2) 5_666 . ?
O21A Dy2 O23 75.3(2) 5_666 . ?
O21A Dy2 O3A 128.3(4) 5_666 7_566 ?
O21A Dy2 O4A 81.7(3) 5_666 7_566 ?
O21A Dy2 O17A 85.0(2) 5_666 . ?
O3B Dy2 O8 111.4(3) 7_566 . ?
O3B Dy2 O4B 52.4(3) 7_566 7_566 ?
O3B Dy2 O17B 117.3(6) 7_566 5_666 ?
O4B Dy2 O8 76.7(3) 7_566 . ?
O4B Dy2 O17B 74.3(6) 7_566 5_666 ?
O17B Dy2 O8 80.9(5) 5_666 . ?
O21B Dy2 O8 70.0(6) . . ?
O21B Dy2 O23 125.1(6) . . ?
O21B Dy2 O3B 144.7(7) . 7_566 ?
O21B Dy2 O4B 146.7(6) . 7_566 ?
O21B Dy2 O17B 98.0(8) . 5_666 ?
O8 Na1 Na1 145.68(17) 5_666 2_655 ?
O8 Na1 O18B 95.8(5) 5_666 . ?
O16 Na1 Na1 96.17(12) 5_666 2_655 ?
O16 Na1 O8 95.52(17) 5_666 5_666 ?
O16 Na1 O18B 105.3(5) 5_666 . ?
O29 Na1 Na1 84.14(14) . 2_655 ?
O29 Na1 O8 76.98(17) . 5_666 ?
O29 Na1 O16 165.9(2) . 5_666 ?
O29 Na1 O30 85.24(19) . 2_655 ?
O29 Na1 O30 108.58(19) . . ?
O29 Na1 O18B 87.6(5) . . ?
O30 Na1 Na1 43.64(12) 2_655 2_655 ?
O30 Na1 Na1 43.53(13) . 2_655 ?
O30 Na1 O8 105.68(18) 2_655 5_666 ?
O30 Na1 O8 170.75(19) . 5_666 ?
O30 Na1 O16 80.52(17) . 5_666 ?
O30 Na1 O16 85.30(17) 2_655 5_666 ?
O30 Na1 O30 82.44(19) 2_655 . ?
O30 Na1 O18B 77.4(5) . . ?
O30 Na1 O18B 155.1(5) 2_655 . ?
O19A Na1 Na1 118.1(2) . 2_655 ?
O19A Na1 O8 90.2(2) . 5_666 ?
O19A Na1 O16 103.4(2) . 5_666 ?
O19A Na1 O29 88.8(2) . . ?
O19A Na1 O30 161.2(2) . 2_655 ?
O19A Na1 O30 82.7(2) . . ?
O18B Na1 Na1 112.0(5) . 2_655 ?
Dy1 Na2 Dy1 135.52(10) 6_566 5_666 ?
O10 Na2 Dy1 156.07(10) 2_656 6_566 ?
O10 Na2 Dy1 156.07(10) . 5_666 ?
O10 Na2 Dy1 44.20(9) 2_656 5_666 ?
O10 Na2 Dy1 44.20(10) . 6_566 ?
O10 Na2 O10 149.8(2) . 2_656 ?
O15 Na2 Dy1 38.54(10) . 5_666 ?
O15 Na2 Dy1 38.54(10) 2_656 6_566 ?
O15 Na2 Dy1 128.55(13) . 6_566 ?
O15 Na2 Dy1 128.55(13) 2_656 5_666 ?
O15 Na2 O10 118.70(13) . . ?
O15 Na2 O10 68.23(14) . 2_656 ?
O15 Na2 O10 68.24(14) 2_656 . ?
O15 Na2 O10 118.70(13) 2_656 2_656 ?
O15 Na2 O15 155.7(3) . 2_656 ?
O15 Na2 O16 54.53(14) 2_656 2_656 ?
O15 Na2 O16 145.60(17) 2_656 . ?
O15 Na2 O16 54.53(14) . . ?
O15 Na2 O16 145.60(17) . 2_656 ?
O15 Na2 O24 73.52(15) 2_656 5_666 ?
O15 Na2 O24 87.82(16) . 5_666 ?
O15 Na2 O24 73.52(15) . 6_566 ?
O15 Na2 O24 87.82(16) 2_656 6_566 ?
O15 Na2 C17 161.74(16) 2_656 . ?
O15 Na2 C17 28.60(16) . . ?
O15 Na2 C17 161.74(16) . 2_656 ?
O15 Na2 C17 28.60(16) 2_656 2_656 ?
O16 Na2 Dy1 121.07(10) 2_656 5_666 ?
O16 Na2 Dy1 85.71(10) 2_656 6_566 ?
O16 Na2 Dy1 85.71(10) . 5_666 ?
O16 Na2 Dy1 121.07(10) . 6_566 ?
O16 Na2 O10 80.47(14) . . ?
O16 Na2 O10 82.07(15) . 2_656 ?
O16 Na2 O10 82.07(15) 2_656 . ?
O16 Na2 O10 80.47(15) 2_656 2_656 ?
O16 Na2 O16 108.7(2) 2_656 . ?
O16 Na2 O24 107.32(15) 2_656 6_566 ?
O16 Na2 O24 126.52(15) . 6_566 ?
O16 Na2 O24 126.52(15) 2_656 5_666 ?
O16 Na2 O24 107.32(15) . 5_666 ?
O16 Na2 C17 27.21(16) . . ?
O16 Na2 C17 27.21(16) 2_656 2_656 ?
O16 Na2 C17 133.7(2) . 2_656 ?
O16 Na2 C17 133.7(2) 2_656 . ?
O24 Na2 Dy1 41.58(10) 5_666 6_566 ?
O24 Na2 Dy1 99.69(13) 6_566 6_566 ?
O24 Na2 Dy1 99.69(13) 5_666 5_666 ?
O24 Na2 Dy1 41.58(10) 6_566 5_666 ?
O24 Na2 O10 142.91(18) 6_566 . ?
O24 Na2 O10 66.49(14) 6_566 2_656 ?
O24 Na2 O10 142.91(17) 5_666 2_656 ?
O24 Na2 O10 66.49(14) 5_666 . ?
O24 Na2 O24 80.1(2) 5_666 6_566 ?
O24 Na2 C17 102.12(17) 6_566 . ?
O24 Na2 C17 102.11(17) 5_666 2_656 ?
O24 Na2 C17 92.93(17) 6_566 2_656 ?
O24 Na2 C17 92.93(17) 5_666 . ?
C17 Na2 Dy1 64.83(12) . 5_666 ?
C17 Na2 Dy1 64.83(13) 2_656 6_566 ?
C17 Na2 Dy1 123.66(13) . 6_566 ?
C17 Na2 Dy1 123.66(13) 2_656 5_666 ?
C17 Na2 O10 79.50(16) . 2_656 ?
C17 Na2 O10 95.36(16) . . ?
C17 Na2 O10 79.50(16) 2_656 . ?
C17 Na2 O10 95.37(16) 2_656 2_656 ?
C17 Na2 C17 160.4(3) . 2_656 ?
C1 O1 Dy1 138.9(4) . . ?
C1 O2 Dy2 148.0(4) . . ?
Na1 O8 Dy2 130.40(19) 5_666 . ?
C9 O8 Dy2 86.4(4) . . ?
C9 O8 Na1 141.2(4) . 5_666 ?
C9 O9 Dy2 97.6(4) . . ?
Dy1 O10 Na2 85.09(15) 6_566 . ?
C16 O10 Dy1 89.6(4) . 6_566 ?
C16 O10 Na2 137.9(4) . . ?
C16 O11 Dy1 96.7(4) . 6_566 ?
Dy1 O15 Na2 101.24(16) 5_666 . ?
C17 O15 Dy1 149.4(4) . 5_666 ?
C17 O15 Na2 89.7(3) . . ?
Na1 O16 Na2 119.17(19) 5_666 . ?
C17 O16 Na1 149.7(4) . 5_666 ?
C17 O16 Na2 86.5(3) . . ?
Dy1 O22 Dy2 124.17(18) . . ?
C25 O22 Dy1 144.5(4) . . ?
C25 O22 Dy2 85.4(4) . . ?
C25 O23 Dy2 100.3(4) . . ?
Dy1 O24 Na2 94.95(16) 2_655 5_666 ?
C32 O24 Dy1 94.4(4) . 2_655 ?
C32 O24 Na2 157.8(5) . 5_666 ?
C32 O25 Dy1 91.1(4) . 2_655 ?
Na1 O29 Na31 137.0(3) . 3_545 ?
Na1 O30 Na1 92.83(18) 2_655 . ?
O29 Na31 O29 74.0(4) 3_455 4 ?
O29 Na31 C35 74.3(3) 3_455 . ?
O29 Na31 C35 85.2(13) 3_455 2 ?
O29 Na31 C35 85.2(4) 4 . ?
O29 Na31 C35 74.3(12) 4 2 ?
C35 Na31 C35 154.4(15) . 2 ?
O6B Na31 O29 139.2(4) 2 3_455 ?
O6B Na31 O29 122.8(4) 2 4 ?
O6B Na31 O29 139.2(4) . 4 ?
O6B Na31 O29 122.8(4) . 3_455 ?
O6B Na31 C35 71.0(13) . 2 ?
O6B Na31 C35 133.3(6) . . ?
O6B Na31 C35 71.0(5) 2 . ?
O6B Na31 C35 133.3(14) 2 2 ?
O6B Na31 O6B 71.3(9) 2 . ?
O1 C1 C2A 116.1(8) . . ?
O1 C1 C2B 116.4(7) . . ?
O2 C1 O1 126.7(6) . . ?
O2 C1 C2A 116.1(8) . . ?
O2 C1 C2B 116.0(7) . . ?
O8 C9 Dy2 67.7(3) . . ?
O8 C9 O9 122.1(6) . . ?
O8 C9 C10 120.9(6) . . ?
O9 C9 Dy2 55.9(3) . . ?
O9 C9 C10 117.0(6) . . ?
C10 C9 Dy2 164.8(5) . . ?
C11 C10 C9 121.2(6) . . ?
C11 C10 C15B 116.8(12) . . ?
C15A C10 C9 117.6(9) . . ?
C15A C10 C11 120.6(9) . . ?
C15B C10 C9 120.0(11) . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(7) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C16 121.6(6) . . ?
C11 C12 C13B 118.9(12) . . ?
C13A C12 C11 119.1(10) . . ?
C13A C12 C16 118.1(9) . . ?
C13B C12 C16 118.2(11) . . ?
O10 C16 Dy1 63.7(3) . 6_566 ?
O10 C16 C12 119.8(6) . . ?
O11 C16 Dy1 56.9(4) . 6_566 ?
O11 C16 O10 120.7(6) . . ?
O11 C16 C12 119.5(6) . . ?
C12 C16 Dy1 176.1(5) . 6_566 ?
O15 C17 Na2 61.7(3) . . ?
O15 C17 C18 115.8(5) . . ?
O16 C17 Na2 66.3(3) . . ?
O16 C17 O15 123.3(5) . . ?
O16 C17 C18 120.9(5) . . ?
C18 C17 Na2 155.3(4) . . ?
C19 C18 C17 120.4(5) . . ?
C23 C18 C17 119.6(5) . . ?
C23 C18 C19 120.0(5) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.1(5) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C21 120.2(6) . . ?
C19 C20 C24A 118.8(6) . . ?
C19 C20 S3B 120.8(5) . . ?
C21 C20 C24A 120.1(6) . . ?
C21 C20 S3B 116.6(5) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 C20 118.5(5) . . ?
C22 C21 H21 120.7 . . ?
C21 C22 C23 121.3(6) . . ?
C21 C22 S3A 119.5(5) . . ?
C21 C22 C24B 119.6(12) . . ?
C23 C22 S3A 119.2(5) . . ?
C23 C22 C24B 116.1(12) . . ?
C18 C23 C22 119.9(6) . . ?
C18 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
O22 C25 Dy2 68.6(3) . . ?
O22 C25 C26 119.2(6) . . ?
O23 C25 Dy2 54.8(3) . . ?
O23 C25 O22 121.0(6) . . ?
O23 C25 C26 119.8(6) . . ?
C26 C25 Dy2 160.2(5) . . ?
C27 C26 C25 121.3(6) . . ?
C27 C26 C31A 116.5(10) . . ?
C27 C26 C31B 117.8(9) . . ?
C31A C26 C25 120.4(9) . . ?
C31B C26 C25 119.2(9) . . ?
C26 C27 H27 119.3 . . ?
C26 C27 C28 121.5(6) . . ?
C28 C27 H27 119.3 . . ?
C27 C28 C32 120.0(6) . . ?
C27 C28 C29B 118.9(15) . . ?
C29A C28 C27 119.2(19) . . ?
C29A C28 C32 119.4(19) . . ?
C29B C28 C32 119.5(15) . . ?
O24 C32 Dy1 59.0(3) . 2_655 ?
O24 C32 O25 120.6(6) . . ?
O24 C32 C28 119.4(6) . . ?
O25 C32 Dy1 61.9(3) . 2_655 ?
O25 C32 C28 120.0(6) . . ?
C28 C32 Dy1 173.0(5) . 2_655 ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
C33 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
C33 C34 N1 111.4(18) . . ?
H34A C34 H34B 108.0 . . ?
N1 C34 H34A 109.3 . . ?
N1 C34 H34B 109.3 . . ?
C35 N1 C34 120.3(11) . . ?
C35 N1 C39 120.0 . . ?
C39 N1 C34 119.7(11) . . ?
N1 C35 H35 120.0 . . ?
N1 C35 C36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C38 120.0 . . ?
C36 C37 C44 118.1(10) . . ?
C38 C37 C44 121.2(10) . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C39 C38 H38 120.0 . . ?
N1 C39 H39 120.0 . . ?
C38 C39 N1 120.0 . . ?
C38 C39 H39 120.0 . . ?
O12B S2B O13B 119.1(12) . . ?
O12B S2B O14B 106.1(12) . . ?
O12B S2B C14B 111.4(14) . . ?
O13B S2B C14B 104.1(13) . . ?
O14B S2B O13B 114.6(12) . . ?
O14B S2B C14B 100.0(13) . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C41 C40 H40A 109.5 . . ?
C41 C40 H40B 109.5 . . ?
C41 C40 H40C 109.5 . . ?
C40 C41 H41A 108.3 . . ?
C40 C41 H41B 108.3 . . ?
C40 C41 N2 115.8(18) . . ?
H41A C41 H41B 107.4 . . ?
N2 C41 H41A 108.3 . . ?
N2 C41 H41B 108.3 . . ?
C42 N2 C41 120.8(11) . . ?
C42 N2 C46 120.0 . . ?
C46 N2 C41 119.2(11) . . ?
N2 C42 H42 120.0 . . ?
N2 C42 C43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C37 120.2(10) . . ?
C43 C44 C45 120.0 . . ?
C45 C44 C37 119.8(10) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
N2 C46 H46 120.0 . . ?
C45 C46 N2 120.0 . . ?
C45 C46 H46 120.0 . . ?
O5A S1A C6A 84.3(18) . . ?
O5C S1A O5A 45.6(16) . . ?
O5C S1A O6C 110.4(16) . . ?
O5C S1A C6A 106.0(18) . . ?
O6A S1A O5A 115.1(15) . . ?
O6A S1A O5C 140(2) . . ?
O6A S1A O6C 35.9(16) . . ?
O6A S1A O7C 80.6(17) . . ?
O6A S1A C6A 105.0(18) . . ?
O6C S1A O5A 79.4(17) . . ?
O6C S1A C6A 106.6(18) . . ?
O7A S1A O5A 113.6(15) . . ?
O7A S1A O5C 68.2(17) . . ?
O7A S1A O6A 118.7(16) . . ?
O7A S1A O6C 137(2) . . ?
O7A S1A O7C 46.1(16) . . ?
O7A S1A C6A 114.7(18) . . ?
O7C S1A O5A 159.7(18) . . ?
O7C S1A O5C 114.1(16) . . ?
O7C S1A O6C 114.3(16) . . ?
O7C S1A C6A 104.7(18) . . ?
O12A S2A O13A 108.5(10) . . ?
O12A S2A O14A 122.1(10) . . ?
O12A S2A C14A 108.9(11) . . ?
O13A S2A O14A 104.2(9) . . ?
O13A S2A C14A 105.0(10) . . ?
O14A S2A C14A 106.8(10) . . ?
O19A S3A C22 104.7(4) . . ?
O19A S3A O20A 118.4(4) . . ?
O19A S3A O21A 106.6(4) . . ?
O20A S3A C22 108.5(3) . . ?
O20A S3A O21A 115.6(4) . . ?
O21A S3A C22 101.2(4) . . ?
O26A S4A O27A 107.8(12) . . ?
O26A S4A O28A 133.2(14) . . ?
O26A S4A C30A 113.4(15) . . ?
O27A S4A C30A 83.1(14) . . ?
O28A S4A O27A 92.9(11) . . ?
O28A S4A C30A 110.3(15) . . ?
C8A O3A Dy2 91.7(15) . 7_566 ?
C8A O4A Dy2 92.5(16) . 7_566 ?
O5C O5A S1A 66.2(11) . . ?
S1A O5C O7A 55.4(10) . . ?
O5A O5C S1A 68.2(12) . . ?
O5A O5C O7A 123.5(15) . . ?
O6C O6A S1A 73.0(14) . . ?
O6A O6C S1A 71.1(13) . . ?
S1A O7A O5C 56.4(10) . . ?
O7C O7A S1A 67.5(12) . . ?
O7C O7A O5C 123.7(15) . . ?
O7A O7C S1A 66.5(11) . . ?
C24A O17A Dy2 162.7(7) . . ?
C24A O18A Dy1 125.8(6) . . ?
S3A O19A Na1 142.9(4) . . ?
S3A O21A Dy2 167.9(4) . 5_666 ?
C3A C2A C1 118.0(16) . . ?
C7A C2A C1 121.3(15) . . ?
C7A C2A C3A 120.7(18) . . ?
C2A C3A H3A 119.9 . . ?
C2A C3A C4A 120(2) . . ?
C4A C3A H3A 119.9 . . ?
C3A C4A C8A 118(2) . . ?
C5A C4A C3A 118(2) . . ?
C5A C4A C8A 122(2) . . ?
C4A C5A H5A 119.0 . . ?
C6A C5A C4A 122.0(19) . . ?
C6A C5A H5A 119.0 . . ?
C5A C6A S1A 123.3(19) . . ?
C5A C6A C7A 118(2) . . ?
C7A C6A S1A 119.0(18) . . ?
C2A C7A C6A 120.4(17) . . ?
C2A C7A H7A 119.8 . . ?
C6A C7A H7A 119.8 . . ?
O3A C8A Dy2 61.5(14) . 7_566 ?
O3A C8A O4A 122(3) . . ?
O3A C8A C4A 118(2) . . ?
O4A C8A Dy2 60.3(14) . 7_566 ?
O4A C8A C4A 119(3) . . ?
C4A C8A Dy2 170.8(18) . 7_566 ?
C12 C13A H13A 120.5 . . ?
C14A C13A C12 118.9(17) . . ?
C14A C13A H13A 120.5 . . ?
C13A C14A S2A 120.4(17) . . ?
C13A C14A C15A 122(2) . . ?
C15A C14A S2A 117.4(16) . . ?
C10 C15A C14A 118.1(15) . . ?
C10 C15A H15A 121.0 . . ?
C14A C15A H15A 121.0 . . ?
O17A C24A C20 118.7(8) . . ?
O17A C24A O18A 124.3(9) . . ?
O18A C24A C20 116.9(8) . . ?
C28 C29A H29A 121.3 . . ?
C28 C29A C30A 117(4) . . ?
C30A C29A H29A 121.3 . . ?
C29A C30A S4A 121(3) . . ?
C31A C30A S4A 118(2) . . ?
C31A C30A C29A 120(3) . . ?
C26 C31A H31A 120.1 . . ?
C30A C31A C26 120(2) . . ?
C30A C31A H31A 120.1 . . ?
O5B S1B O6B 117.0(12) . . ?
O5B S1B O7B 102.0(11) . . ?
O5B S1B C6B 109.5(10) . . ?
O6B S1B O7B 117.9(12) . . ?
O6B S1B C6B 107.7(10) . . ?
O7B S1B C6B 101.5(10) . . ?
O19B S3B C20 108.0(11) . . ?
O19B S3B O20B 110.5(14) . . ?
O20B S3B C20 112.9(9) . . ?
O21B S3B C20 106.4(12) . . ?
O21B S3B O19B 121.9(16) . . ?
O21B S3B O20B 96.9(14) . . ?
O26B S4B O28B 115.5(13) . . ?
O26B S4B C30B 106.6(15) . . ?
O27B S4B O26B 111.8(12) . . ?
O27B S4B O28B 122.3(13) . . ?
O27B S4B C30B 110.4(15) . . ?
O28B S4B C30B 85.9(15) . . ?
C8B O3B Dy2 93.3(15) . 7_566 ?
C8B O4B Dy2 92.0(16) . 7_566 ?
S1B O6B Na31 139.4(12) . . ?
C24B O17B Dy2 124.0(19) . 5_666 ?
C24B O18B Na1 100.2(15) . . ?
S3B O19B Dy1 125.5(14) . . ?
S3B O21B Dy2 165.7(17) . . ?
C3B C2B C1 120.6(16) . . ?
C7B C2B C1 122.1(12) . . ?
C7B C2B C3B 117.3(16) . . ?
C2B C3B H3B 118.0 . . ?
C4B C3B C2B 124(3) . . ?
C4B C3B H3B 118.0 . . ?
C3B C4B C5B 118(2) . . ?
C3B C4B C8B 122(2) . . ?
C5B C4B C8B 120.3(18) . . ?
C4B C5B H5B 119.6 . . ?
C4B C5B C6B 120.8(14) . . ?
C6B C5B H5B 119.6 . . ?
C5B C6B S1B 121.7(12) . . ?
C5B C6B C7B 119.6(16) . . ?
C7B C6B S1B 118.7(13) . . ?
C2B C7B C6B 119.9(14) . . ?
C2B C7B H7B 120.0 . . ?
C6B C7B H7B 120.0 . . ?
O3B C8B Dy2 60.2(14) . 7_566 ?
O3B C8B C4B 115(2) . . ?
O4B C8B Dy2 61.9(15) . 7_566 ?
O4B C8B O3B 121(3) . . ?
O4B C8B C4B 123(3) . . ?
C4B C8B Dy2 173.4(15) . 7_566 ?
C12 C13B H13B 120.6 . . ?
C14B C13B C12 119(2) . . ?
C14B C13B H13B 120.6 . . ?
C13B C14B S2B 119(2) . . ?
C15B C14B S2B 120(2) . . ?
C15B C14B C13B 121(3) . . ?
C10 C15B H15B 119.5 . . ?
C14B C15B C10 121(2) . . ?
C14B C15B H15B 119.5 . . ?
O17B C24B C22 121(2) . . ?
O17B C24B O18B 119.4(19) . . ?
O18B C24B C22 113.7(19) . . ?
C28 C29B H29B 121.3 . . ?
C30B C29B C28 117(3) . . ?
C30B C29B H29B 121.3 . . ?
C29B C30B S4B 117(2) . . ?
C29B C30B C31B 123(3) . . ?
C31B C30B S4B 120(2) . . ?
C26 C31B H31B 120.0 . . ?
C30B C31B C26 120.0(19) . . ?
C30B C31B H31B 120.0 . . ?

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
Dy1 O1 C1 O2 -42.9(11) . . . . ?
Dy1 O1 C1 C2A 124.6(10) . . . . ?
Dy1 O1 C1 C2B 148.6(8) . . . . ?
Dy1 O10 C16 O11 -0.6(7) 6_566 . . . ?
Dy1 O10 C16 C12 178.2(6) 6_566 . . . ?
Dy1 O11 C16 O10 0.6(7) 6_566 . . . ?
Dy1 O11 C16 C12 -178.1(6) 6_566 . . . ?
Dy1 O15 C17 Na2 -112.0(7) 5_666 . . . ?
Dy1 O15 C17 O16 -86.0(9) 5_666 . . . ?
Dy1 O15 C17 C18 95.6(8) 5_666 . . . ?
Dy1 O22 C25 Dy2 149.1(7) . . . . ?
Dy1 O22 C25 O23 132.2(6) . . . . ?
Dy1 O22 C25 C26 -51.0(10) . . . . ?
Dy1 O24 C32 O25 -7.0(7) 2_655 . . . ?
Dy1 O24 C32 C28 172.0(6) 2_655 . . . ?
Dy1 O25 C32 O24 6.8(7) 2_655 . . . ?
Dy1 O25 C32 C28 -172.2(6) 2_655 . . . ?
Dy1 O18A C24A C20 -141.8(6) . . . . ?
Dy1 O18A C24A O17A 41.9(14) . . . . ?
Dy2 O2 C1 O1 22.4(13) . . . . ?
Dy2 O2 C1 C2A -145.1(10) . . . . ?
Dy2 O2 C1 C2B -169.0(8) . . . . ?
Dy2 O8 C9 O9 -13.1(6) . . . . ?
Dy2 O8 C9 C10 165.9(6) . . . . ?
Dy2 O9 C9 O8 14.6(6) . . . . ?
Dy2 O9 C9 C10 -164.4(5) . . . . ?
Dy2 O22 C25 O23 -16.9(6) . . . . ?
Dy2 O22 C25 C26 159.9(6) . . . . ?
Dy2 O23 C25 O22 19.4(7) . . . . ?
Dy2 O23 C25 C26 -157.4(6) . . . . ?
Dy2 C9 C10 C11 118.8(16) . . . . ?
Dy2 C9 C10 C15A -69(2) . . . . ?
Dy2 C9 C10 C15B -45(2) . . . . ?
Dy2 C25 C26 C27 103.3(13) . . . . ?
Dy2 C25 C26 C31A -61.0(19) . . . . ?
Dy2 C25 C26 C31B -91.9(17) . . . . ?
Dy2 O3A C8A O4A 1(2) 7_566 . . . ?
Dy2 O3A C8A C4A 170(2) 7_566 . . . ?
Dy2 O4A C8A O3A -1(2) 7_566 . . . ?
Dy2 O4A C8A C4A -169(2) 7_566 . . . ?
Dy2 O17A C24A C20 138.5(18) . . . . ?
Dy2 O17A C24A O18A -45(3) . . . . ?
Dy2 O3B C8B O4B -11(2) 7_566 . . . ?
Dy2 O3B C8B C4B 174.4(18) 7_566 . . . ?
Dy2 O4B C8B O3B 11(2) 7_566 . . . ?
Dy2 O4B C8B C4B -175(2) 7_566 . . . ?
Dy2 O17B C24B C22 -100(2) 5_666 . . . ?
Dy2 O17B C24B O18B 110(3) 5_666 . . . ?
Na1 O8 C9 Dy2 163.3(6) 5_666 . . . ?
Na1 O8 C9 O9 150.3(5) 5_666 . . . ?
Na1 O8 C9 C10 -30.7(10) 5_666 . . . ?
Na1 O16 C17 Na2 149.8(8) 5_666 . . . ?
Na1 O16 C17 O15 124.9(7) 5_666 . . . ?
Na1 O16 C17 C18 -56.8(11) 5_666 . . . ?
Na1 O18B C24B C22 110.3(18) . . . . ?
Na1 O18B C24B O17B -97(2) . . . . ?
Na2 O10 C16 Dy1 82.3(5) . . . 6_566 ?
Na2 O10 C16 O11 81.7(8) . . . . ?
Na2 O10 C16 C12 -99.6(8) . . . . ?
Na2 O15 C17 O16 25.9(6) . . . . ?
Na2 O15 C17 C18 -152.4(5) . . . . ?
Na2 O16 C17 O15 -24.9(6) . . . . ?
Na2 O16 C17 C18 153.4(5) . . . . ?
Na2 O24 C32 Dy1 -114.7(11) 5_666 . . 2_655 ?
Na2 O24 C32 O25 -121.7(10) 5_666 . . . ?
Na2 O24 C32 C28 57.3(14) 5_666 . . . ?
Na2 C17 C18 C19 109.1(10) . . . . ?
Na2 C17 C18 C23 -72.6(12) . . . . ?
O1 C1 C2A C3A 174.7(15) . . . . ?
O1 C1 C2A C7A -7(2) . . . . ?
O1 C1 C2B C3B -173.5(15) . . . . ?
O1 C1 C2B C7B 4.5(18) . . . . ?
O2 C1 C2A C3A -16(2) . . . . ?
O2 C1 C2A C7A 162.1(19) . . . . ?
O2 C1 C2B C3B 17(2) . . . . ?
O2 C1 C2B C7B -165.3(13) . . . . ?
O8 C9 C10 C11 -2.0(10) . . . . ?
O8 C9 C10 C15A 169.7(10) . . . . ?
O8 C9 C10 C15B -165.5(13) . . . . ?
O9 C9 C10 C11 177.0(6) . . . . ?
O9 C9 C10 C15A -11.3(12) . . . . ?
O9 C9 C10 C15B 13.6(15) . . . . ?
O15 C17 C18 C19 -172.9(6) . . . . ?
O15 C17 C18 C23 5.3(8) . . . . ?
O16 C17 C18 C19 8.7(9) . . . . ?
O16 C17 C18 C23 -173.0(6) . . . . ?
O22 C25 C26 C27 -5.5(11) . . . . ?
O22 C25 C26 C31A -169.8(12) . . . . ?
O22 C25 C26 C31B 159.3(12) . . . . ?
O23 C25 C26 C27 171.4(7) . . . . ?
O23 C25 C26 C31A 7.1(15) . . . . ?
O23 C25 C26 C31B -23.8(14) . . . . ?
C1 C2A C3A C4A -177.6(17) . . . . ?
C1 C2A C7A C6A -175(2) . . . . ?
C1 C2B C3B C4B 170.1(18) . . . . ?
C1 C2B C7B C6B -174.6(15) . . . . ?
C9 C10 C11 C12 178.8(7) . . . . ?
C9 C10 C15A C14A -176.3(15) . . . . ?
C9 C10 C15B C14B 179(2) . . . . ?
C10 C11 C12 C16 -176.4(7) . . . . ?
C10 C11 C12 C13A -8.9(14) . . . . ?
C10 C11 C12 C13B 16.9(16) . . . . ?
C11 C10 C15A C14A -4(2) . . . . ?
C11 C10 C15B C14B 15(3) . . . . ?
C11 C12 C16 O10 22.9(11) . . . . ?
C11 C12 C16 O11 -158.4(7) . . . . ?
C11 C12 C13A C14A 8(2) . . . . ?
C11 C12 C13B C14B -14(3) . . . . ?
C12 C13A C14A S2A 173.6(13) . . . . ?
C12 C13A C14A C15A -5(3) . . . . ?
C12 C13B C14B S2B -172.6(17) . . . . ?
C12 C13B C14B C15B 12(4) . . . . ?
C16 C12 C13A C14A 175.6(15) . . . . ?
C16 C12 C13B C14B 179(2) . . . . ?
C17 C18 C19 C20 176.9(6) . . . . ?
C17 C18 C23 C22 -177.5(6) . . . . ?
C18 C19 C20 C21 1.1(10) . . . . ?
C18 C19 C20 C24A -168.0(7) . . . . ?
C18 C19 C20 S3B 162.8(7) . . . . ?
C19 C18 C23 C22 0.7(10) . . . . ?
C19 C20 C21 C22 -0.3(10) . . . . ?
C19 C20 C24A O17A -7.7(13) . . . . ?
C19 C20 C24A O18A 175.8(8) . . . . ?
C19 C20 S3B O19B 164.9(12) . . . . ?
C19 C20 S3B O20B -72.6(11) . . . . ?
C19 C20 S3B O21B 32.5(15) . . . . ?
C20 C21 C22 C23 -0.3(10) . . . . ?
C20 C21 C22 S3A 176.1(5) . . . . ?
C20 C21 C22 C24B -159.9(15) . . . . ?
C20 S3B O19B Dy1 -110.4(14) . . . . ?
C20 S3B O21B Dy2 119(7) . . . . ?
C21 C20 C24A O17A -176.9(8) . . . . ?
C21 C20 C24A O18A 6.6(13) . . . . ?
C21 C20 S3B O19B -32.8(14) . . . . ?
C21 C20 S3B O20B 89.7(10) . . . . ?
C21 C20 S3B O21B -165.2(13) . . . . ?
C21 C22 C23 C18 0.1(10) . . . . ?
C21 C22 S3A O19A 33.7(6) . . . . ?
C21 C22 S3A O20A -93.6(6) . . . . ?
C21 C22 S3A O21A 144.4(6) . . . . ?
C21 C22 C24B O17B -178(2) . . . . ?
C21 C22 C24B O18B -26(3) . . . . ?
C22 S3A O19A Na1 80.6(8) . . . . ?
C22 S3A O21A Dy2 -83(2) . . . 5_666 ?
C23 C18 C19 C20 -1.3(10) . . . . ?
C23 C22 S3A O19A -149.8(6) . . . . ?
C23 C22 S3A O20A 82.9(6) . . . . ?
C23 C22 S3A O21A -39.1(6) . . . . ?
C23 C22 C24B O17B 21(3) . . . . ?
C23 C22 C24B O18B 173.1(16) . . . . ?
C25 C26 C27 C28 178.5(7) . . . . ?
C25 C26 C31A C30A -178(2) . . . . ?
C25 C26 C31B C30B -178(2) . . . . ?
C26 C27 C28 C32 -174.9(7) . . . . ?
C26 C27 C28 C29A 18.9(18) . . . . ?
C26 C27 C28 C29B -9.7(18) . . . . ?
C27 C26 C31A C30A 17(3) . . . . ?
C27 C26 C31B C30B -12(3) . . . . ?
C27 C28 C32 O24 -7.5(11) . . . . ?
C27 C28 C32 O25 171.6(7) . . . . ?
C27 C28 C29A C30A -20(3) . . . . ?
C27 C28 C29B C30B 5(3) . . . . ?
C28 C29A C30A S4A -166.1(19) . . . . ?
C28 C29A C30A C31A 21(4) . . . . ?
C28 C29B C30B S4B 176.9(19) . . . . ?
C28 C29B C30B C31B -4(5) . . . . ?
C32 C28 C29A C30A 174(2) . . . . ?
C32 C28 C29B C30B 170(2) . . . . ?
C33 C34 N1 C35 -94.6(18) . . . . ?
C33 C34 N1 C39 85.1(19) . . . . ?
C34 N1 C35 C36 179.8(16) . . . . ?
C34 N1 C39 C38 -179.8(16) . . . . ?
N1 C35 C36 C37 0.0 . . . . ?
C35 N1 C39 C38 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C35 C36 C37 C44 -170.6(16) . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C36 C37 C44 C43 -20.4(17) . . . . ?
C36 C37 C44 C45 159.4(10) . . . . ?
C37 C38 C39 N1 0.0 . . . . ?
C37 C44 C45 C46 -179.7(16) . . . . ?
C38 C37 C44 C43 169.2(10) . . . . ?
C38 C37 C44 C45 -11.1(18) . . . . ?
C39 N1 C35 C36 0.0 . . . . ?
S2B C14B C15B C10 171.7(17) . . . . ?
C40 C41 N2 C42 7(3) . . . . ?
C40 C41 N2 C46 -172.3(18) . . . . ?
C41 N2 C42 C43 -179.4(19) . . . . ?
C41 N2 C46 C45 179.4(18) . . . . ?
N2 C42 C43 C44 0.0 . . . . ?
C42 N2 C46 C45 0.0 . . . . ?
C42 C43 C44 C37 179.7(17) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C37 C38 C39 170.3(17) . . . . ?
C44 C45 C46 N2 0.0 . . . . ?
C46 N2 C42 C43 0.0 . . . . ?
S1A O5A O5C O7A 4(3) . . . . ?
S1A O5C O7A O7C -6(4) . . . . ?
S1A C6A C7A C2A 171(2) . . . . ?
S2A C14A C15A C10 -175.3(13) . . . . ?
S3A C22 C23 C18 -176.3(5) . . . . ?
S4A C30A C31A C26 167.2(16) . . . . ?
O5A S1A O5C O7A -176(3) . . . . ?
O5A S1A O6A O6C -7(4) . . . . ?
O5A S1A O6C O6A 174(4) . . . . ?
O5A S1A O7A O5C 3(3) . . . . ?
O5A S1A O7A O7C 178(3) . . . . ?
O5A S1A O7C O7A -4(7) . . . . ?
O5A S1A C6A C5A -100(3) . . . . ?
O5A S1A C6A C7A 81(3) . . . . ?
O5A O5C O7A S1A -5(4) . . . . ?
O5A O5C O7A O7C -11(6) . . . . ?
O5C S1A O6A O6C 43(5) . . . . ?
O5C S1A O6C O6A -152(4) . . . . ?
O5C S1A O7A O7C 175(3) . . . . ?
O5C S1A O7C O7A -5(3) . . . . ?
O5C S1A C6A C5A -141(3) . . . . ?
O5C S1A C6A C7A 41(3) . . . . ?
O5C O7A O7C S1A 5(3) . . . . ?
O6A S1A O5A O5C 137(3) . . . . ?
O6A S1A O5C O5A -75(4) . . . . ?
O6A S1A O5C O7A 109(3) . . . . ?
O6A S1A O7A O5C -137(2) . . . . ?
O6A S1A O7A O7C 38(3) . . . . ?
O6A S1A O7C O7A -146(3) . . . . ?
O6A S1A C6A C5A 14(3) . . . . ?
O6A S1A C6A C7A -164(2) . . . . ?
O6C S1A O5A O5C 133(3) . . . . ?
O6C S1A O5C O5A -50(3) . . . . ?
O6C S1A O5C O7A 134(2) . . . . ?
O6C S1A O7A O5C -97(3) . . . . ?
O6C S1A O7A O7C 78(3) . . . . ?
O6C S1A O7C O7A -133(3) . . . . ?
O6C S1A C6A C5A -23(3) . . . . ?
O6C S1A C6A C7A 158(2) . . . . ?
O7A S1A O5A O5C -5(3) . . . . ?
O7A S1A O5C O5A 176(3) . . . . ?
O7A S1A O6A O6C 133(4) . . . . ?
O7A S1A O6C O6A -73(4) . . . . ?
O7A S1A C6A C5A 146(3) . . . . ?
O7A S1A C6A C7A -32(3) . . . . ?
O7C S1A O5A O5C -1(7) . . . . ?
O7C S1A O5C O5A 179(3) . . . . ?
O7C S1A O5C O7A 4(3) . . . . ?
O7C S1A O6A O6C 160(4) . . . . ?
O7C S1A O6C O6A -22(4) . . . . ?
O7C S1A O7A O5C -175(3) . . . . ?
O7C S1A C6A C5A 98(3) . . . . ?
O7C S1A C6A C7A -80(3) . . . . ?
O19A S3A O21A Dy2 26(2) . . . 5_666 ?
O20A S3A O19A Na1 -158.5(6) . . . . ?
O20A S3A O21A Dy2 160(2) . . . 5_666 ?
O21A S3A O19A Na1 -26.1(9) . . . . ?
O26A S4A C30A C29A 164(3) . . . . ?
O26A S4A C30A C31A -23(3) . . . . ?
O27A S4A C30A C29A -90(3) . . . . ?
O27A S4A C30A C31A 83(3) . . . . ?
O28A S4A C30A C29A 1(3) . . . . ?
O28A S4A C30A C31A 174(2) . . . . ?
C2A C3A C4A C5A -7(3) . . . . ?
C2A C3A C4A C8A -177(2) . . . . ?
C3A C2A C7A C6A 3(4) . . . . ?
C3A C4A C5A C6A 3(4) . . . . ?
C3A C4A C8A O3A 21(3) . . . . ?
C3A C4A C8A O4A -170(2) . . . . ?
C4A C5A C6A S1A -174(2) . . . . ?
C4A C5A C6A C7A 4(4) . . . . ?
C5A C4A C8A O3A -149(2) . . . . ?
C5A C4A C8A O4A 20(3) . . . . ?
C5A C6A C7A C2A -7(4) . . . . ?
C6A S1A O5A O5C -119(3) . . . . ?
C6A S1A O5C O5A 65(3) . . . . ?
C6A S1A O5C O7A -110.7(19) . . . . ?
C6A S1A O6A O6C -98(4) . . . . ?
C6A S1A O6C O6A 93(4) . . . . ?
C6A S1A O7A O5C 98(2) . . . . ?
C6A S1A O7A O7C -87(3) . . . . ?
C6A S1A O7C O7A 110(3) . . . . ?
C7A C2A C3A C4A 4(3) . . . . ?
C8A C4A C5A C6A 173(2) . . . . ?
O12A S2A C14A C13A 7(2) . . . . ?
O12A S2A C14A C15A -174.2(17) . . . . ?
O13A S2A C14A C13A 123.0(19) . . . . ?
O13A S2A C14A C15A -58(2) . . . . ?
C13A C12 C16 O10 -144.7(11) . . . . ?
C13A C12 C16 O11 34.1(14) . . . . ?
C13A C14A C15A C10 3(3) . . . . ?
O14A S2A C14A C13A -126.7(19) . . . . ?
O14A S2A C14A C15A 52(2) . . . . ?
C15A C10 C11 C12 7.4(14) . . . . ?
C24A C20 C21 C22 168.6(7) . . . . ?
C29A C28 C32 O24 158.8(15) . . . . ?
C29A C28 C32 O25 -22.2(18) . . . . ?
C29A C30A C31A C26 -20(4) . . . . ?
C31A C26 C27 C28 -16.6(15) . . . . ?
S1B C6B C7B C2B -177.4(14) . . . . ?
S3B C20 C21 C22 -162.7(7) . . . . ?
S4B C30B C31B C26 -172.8(16) . . . . ?
O5B S1B O6B Na31 -175.8(14) . . . . ?
O5B S1B C6B C5B 158.1(18) . . . . ?
O5B S1B C6B C7B -21(2) . . . . ?
O6B S1B C6B C5B 30(2) . . . . ?
O6B S1B C6B C7B -149.4(17) . . . . ?
O7B S1B O6B Na31 62(2) . . . . ?
O7B S1B C6B C5B -94.6(19) . . . . ?
O7B S1B C6B C7B 86.1(18) . . . . ?
O19B S3B O21B Dy2 -5(8) . . . . ?
O20B S3B O19B Dy1 125.7(15) . . . . ?
O20B S3B O21B Dy2 -124(7) . . . . ?
O21B S3B O19B Dy1 13(3) . . . . ?
O26B S4B C30B C29B 158(3) . . . . ?
O26B S4B C30B C31B -21(3) . . . . ?
O27B S4B C30B C29B 36(3) . . . . ?
O27B S4B C30B C31B -143(2) . . . . ?
O28B S4B C30B C29B -87(3) . . . . ?
O28B S4B C30B C31B 94(3) . . . . ?
C2B C3B C4B C5B 5(3) . . . . ?
C2B C3B C4B C8B -176(2) . . . . ?
C3B C2B C7B C6B 3(3) . . . . ?
C3B C4B C5B C6B 2(3) . . . . ?
C3B C4B C8B O3B -3(3) . . . . ?
C3B C4B C8B O4B -178(2) . . . . ?
C4B C5B C6B S1B 174.7(16) . . . . ?
C4B C5B C6B C7B -6(3) . . . . ?
C5B C4B C8B O3B 176(2) . . . . ?
C5B C4B C8B O4B 1(4) . . . . ?
C5B C6B C7B C2B 3(3) . . . . ?
C6B S1B O6B Na31 -52.0(19) . . . . ?
C7B C2B C3B C4B -8(3) . . . . ?
C8B C4B C5B C6B -177(2) . . . . ?
O12B S2B C14B C13B 18(3) . . . . ?
O12B S2B C14B C15B -166(2) . . . . ?
O13B S2B C14B C13B 148(2) . . . . ?
O13B S2B C14B C15B -36(3) . . . . ?
C13B C12 C16 O10 -170.3(13) . . . . ?
C13B C12 C16 O11 8.4(16) . . . . ?
C13B C14B C15B C10 -13(4) . . . . ?
O14B S2B C14B C13B -93(3) . . . . ?
O14B S2B C14B C15B 82(3) . . . . ?
C15B C10 C11 C12 -17.2(15) . . . . ?
C24B C22 C23 C18 160.4(14) . . . . ?
C29B C28 C32 O24 -172.6(16) . . . . ?
C29B C28 C32 O25 6.5(18) . . . . ?
C29B C30B C31B C26 8(4) . . . . ?
C31B C26 C27 C28 13.5(15) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_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 -0.115 0.383 0.008 4976 1496 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.609
_oxdiff_exptl_absorpt_empirical_full_min 0.648
