#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:49:50 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224113 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/95/7049526.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7049526
loop_
_publ_author_name
'Xu, Chao'
'Sheng, Ming-Ming'
'Shi, Hua-Tian'
'Strømme, Maria'
'Zhang, Qian-Feng'
_publ_section_title
;
 Interlinking supertetrahedral chalcogenolate clusters with bipyridines to
 form two-dimensional coordination polymers for photocatalytic degradation
 of organic dye.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5505
_journal_page_last               5510
_journal_paper_doi               10.1039/c9dt00480g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C122 H108 Ag4 Cd6 N4 S16, C12 H28 N4 O4'
_chemical_formula_sum            'C134 H136 Ag4 Cd6 N8 O4 S16'
_chemical_formula_weight         3541.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-03-20 deposited with the CCDC.    2019-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.1050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.1772(3)
_cell_length_b                   25.6535(4)
_cell_length_c                   53.9920(9)
_cell_measurement_reflns_used    9991
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.74
_cell_measurement_theta_min      2.29
_cell_volume                     27668.0(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0811
_diffrn_reflns_av_unetI/netI     0.0814
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            113413
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.524
_exptl_absorpt_coefficient_mu    1.751
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.928.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_description       flake
_exptl_crystal_F_000             14080
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.517
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1591
_refine_ls_number_reflns         24361
_refine_ls_number_restraints     1986
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0779P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1698
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12574
_reflns_number_total             24361
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00480g2.cif
_cod_data_source_block           c2c_S
_cod_depositor_comments
'Adding full bibliography for 7049526--7049529.cif.'
_cod_database_code               7049526
_shelx_shelxl_version_number     2016/6
_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. 
;
_shelx_estimated_absorpt_t_min   0.669
_shelx_estimated_absorpt_t_max   0.721
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'
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
Cd1 Cd 0.16292(3) -0.14914(3) 0.11817(2) 0.0632(2) Uani 1 1 d . U . . .
Cd2 Cd 0.16811(4) 0.09424(3) 0.21250(2) 0.0765(2) Uani 1 1 d . U . . .
Cd3 Cd 0.35543(3) 0.11397(3) 0.09489(2) 0.0705(2) Uani 1 1 d . U . . .
Cd4 Cd -0.04628(3) 0.10168(3) 0.07997(2) 0.0633(2) Uani 1 1 d . U . . .
Cd5 Cd 0.16936(3) -0.03451(3) 0.16939(2) 0.0680(2) Uani 1 1 d . U . . .
Cd6 Cd 0.15160(3) 0.11814(3) 0.08452(2) 0.0630(2) Uani 1 1 d . U . . .
Ag1 Ag 0.26788(3) -0.01586(3) 0.10554(2) 0.0656(2) Uani 1 1 d . U . . .
Ag2 Ag 0.05053(3) -0.02331(3) 0.09862(2) 0.0648(2) Uani 1 1 d . U . . .
Ag3 Ag 0.27448(4) 0.10690(3) 0.15605(2) 0.0708(2) Uani 1 1 d . U . . .
Ag4 Ag 0.06212(3) 0.10663(3) 0.15114(2) 0.0700(2) Uani 1 1 d . U . . .
S1 S 0.26825(11) -0.11722(9) 0.10392(4) 0.0633(6) Uani 1 1 d . U . . .
S2 S 0.05747(11) -0.12275(9) 0.09153(4) 0.0622(6) Uani 1 1 d . U . . .
S3 S 0.15744(17) -0.13302(10) 0.16410(5) 0.0921(9) Uani 1 1 d . U . . .
S4 S 0.36039(11) 0.02072(10) 0.08237(5) 0.0714(7) Uani 1 1 d . U . . .
S5 S 0.15444(9) 0.01893(8) 0.08309(4) 0.0507(5) Uani 1 1 d . U . . .
S6 S 0.26824(10) 0.00635(8) 0.15193(4) 0.0547(5) Uani 1 1 d . U . . .
S7 S -0.05261(11) 0.00741(10) 0.06898(4) 0.0662(6) Uani 1 1 d . U . . .
S8 S 0.06461(10) 0.00659(8) 0.14486(4) 0.0528(5) Uani 1 1 d . U . . .
S9 S 0.16587(14) -0.00480(11) 0.21417(4) 0.0805(7) Uani 1 1 d . U . . .
S10 S 0.25502(11) 0.16658(10) 0.07460(5) 0.0693(7) Uani 1 1 d . U . . .
S11 S 0.37165(12) 0.15079(10) 0.13780(5) 0.0760(7) Uani 1 1 d . U . . .
S12 S 0.04086(10) 0.15674(9) 0.06297(4) 0.0646(6) Uani 1 1 d . U . . .
S13 S 0.16278(10) 0.14014(8) 0.13168(4) 0.0537(5) Uani 1 1 d . U . . .
S14 S 0.28091(13) 0.12265(11) 0.20335(4) 0.0769(7) Uani 1 1 d . U . . .
S15 S -0.05378(11) 0.12528(9) 0.12444(4) 0.0645(6) Uani 1 1 d . U . . .
S16 S 0.05556(12) 0.13034(10) 0.19750(4) 0.0714(7) Uani 1 1 d . U . . .
N1 N 0.1772(3) -0.2388(3) 0.11495(12) 0.0552(16) Uani 1 1 d . U . . .
N2 N 0.1785(4) 0.1044(3) 0.25559(13) 0.082(2) Uani 1 1 d . U . . .
N3 N 0.4307(3) 0.1528(3) 0.07212(14) 0.0672(18) Uani 1 1 d . U . . .
N4 N -0.1486(3) 0.1338(3) 0.05887(13) 0.0672(19) Uani 1 1 d . U . . .
C11 C 0.2656(4) -0.1338(3) 0.07216(16) 0.061(2) Uani 1 1 d . U . . .
C12 C 0.2068(4) -0.1481(3) 0.05700(16) 0.067(2) Uani 1 1 d . U . . .
H12 H 0.166703 -0.149273 0.063632 0.080 Uiso 1 1 calc R U . . .
C13 C 0.2077(5) -0.1609(4) 0.03171(17) 0.075(3) Uani 1 1 d . U . . .
H13 H 0.168269 -0.170216 0.021615 0.090 Uiso 1 1 calc R U . . .
C14 C 0.2669(6) -0.1595(4) 0.02197(19) 0.088(3) Uani 1 1 d . U . . .
H14 H 0.267599 -0.167418 0.005201 0.106 Uiso 1 1 calc R U . . .
C15 C 0.3261(5) -0.1462(4) 0.0373(2) 0.093(3) Uani 1 1 d . U . . .
H15 H 0.366387 -0.145447 0.030831 0.111 Uiso 1 1 calc R U . . .
C16 C 0.3244(5) -0.1341(4) 0.06203(19) 0.076(3) Uani 1 1 d . U . . .
H16 H 0.364182 -0.125805 0.072170 0.092 Uiso 1 1 calc R U . . .
C21 C -0.0126(5) -0.1540(4) 0.1014(2) 0.082(3) Uani 1 1 d D U . . .
C22A C 0.0021(18) -0.185(2) 0.1230(8) 0.099(7) Uani 0.55(5) 1 d . U P A 1
H22A H 0.045796 -0.187722 0.131118 0.118 Uiso 0.55(5) 1 calc R U P A 1
C23A C -0.0504(18) -0.2124(14) 0.1321(7) 0.108(7) Uani 0.55(5) 1 d . U P A 1
H23A H -0.041303 -0.231607 0.146831 0.130 Uiso 0.55(5) 1 calc R U P A 1
C24A C -0.1147(15) -0.2109(13) 0.1196(9) 0.109(8) Uani 0.55(5) 1 d . U P A 1
H24A H -0.147557 -0.231427 0.125203 0.131 Uiso 0.55(5) 1 calc R U P A 1
C25A C -0.1312(14) -0.1798(14) 0.0991(8) 0.112(7) Uani 0.55(5) 1 d . U P A 1
H25A H -0.175286 -0.177881 0.091224 0.135 Uiso 0.55(5) 1 calc R U P A 1
C26A C -0.0798(13) -0.150(2) 0.0898(8) 0.103(6) Uani 0.55(5) 1 d . U P A 1
H26A H -0.090632 -0.128727 0.076066 0.124 Uiso 0.55(5) 1 calc R U P A 1
C22B C -0.0168(17) -0.185(3) 0.1215(9) 0.095(6) Uani 0.45(5) 1 d D U P A 2
H22B H 0.020813 -0.190870 0.133218 0.113 Uiso 0.45(5) 1 calc R U P A 2
C23B C -0.077(2) -0.2087(18) 0.1245(8) 0.112(7) Uani 0.45(5) 1 d D U P A 2
H23B H -0.079858 -0.229017 0.138528 0.135 Uiso 0.45(5) 1 calc R U P A 2
C24B C -0.1317(17) -0.2018(18) 0.1068(10) 0.116(8) Uani 0.45(5) 1 d D U P A 2
H24B H -0.171078 -0.219586 0.108255 0.139 Uiso 0.45(5) 1 calc R U P A 2
C25B C -0.1292(10) -0.1693(15) 0.0871(8) 0.109(8) Uani 0.45(5) 1 d D U P A 2
H25B H -0.167397 -0.163411 0.075607 0.130 Uiso 0.45(5) 1 calc R U P A 2
C26B C -0.0694(13) -0.145(2) 0.0841(8) 0.096(7) Uani 0.45(5) 1 d D U P A 2
H26B H -0.067278 -0.122964 0.070563 0.115 Uiso 0.45(5) 1 calc R U P A 2
C31 C 0.2145(7) -0.1682(5) 0.1825(2) 0.111(4) Uani 1 1 d . U . . .
C32 C 0.2193(9) -0.2217(6) 0.1795(2) 0.195(7) Uani 1 1 d . U . . .
H32 H 0.190162 -0.239837 0.167674 0.234 Uiso 1 1 calc R U . . .
C33 C 0.2729(10) -0.2483(7) 0.1961(3) 0.207(8) Uani 1 1 d . U . . .
H33 H 0.278459 -0.283898 0.193789 0.249 Uiso 1 1 calc R U . . .
C34 C 0.3140(8) -0.2251(7) 0.2142(4) 0.163(6) Uani 1 1 d . U . . .
H34 H 0.347203 -0.243865 0.224143 0.196 Uiso 1 1 calc R U . . .
C35 C 0.3067(8) -0.1776(7) 0.2175(4) 0.190(7) Uani 1 1 d . U . . .
H35 H 0.332442 -0.160784 0.230739 0.228 Uiso 1 1 calc R U . . .
C36 C 0.2581(8) -0.1484(6) 0.2006(3) 0.181(7) Uani 1 1 d . U . . .
H36 H 0.257396 -0.112447 0.202790 0.217 Uiso 1 1 calc R U . . .
C41 C 0.4406(4) -0.0003(4) 0.0961(2) 0.079(3) Uani 1 1 d . U . . .
C42 C 0.4993(5) 0.0171(5) 0.0877(2) 0.106(4) Uani 1 1 d . U . . .
H42 H 0.496844 0.040144 0.074293 0.127 Uiso 1 1 calc R U . . .
C43 C 0.5605(6) 0.0003(6) 0.0993(3) 0.137(5) Uani 1 1 d . U . . .
H43 H 0.599232 0.013132 0.093960 0.164 Uiso 1 1 calc R U . . .
C44 C 0.5655(7) -0.0340(6) 0.1178(3) 0.151(5) Uani 1 1 d . U . . .
H44 H 0.607494 -0.044706 0.125443 0.181 Uiso 1 1 calc R U . . .
C45 C 0.5105(7) -0.0532(6) 0.1257(3) 0.165(6) Uani 1 1 d . U . . .
H45 H 0.514013 -0.077917 0.138384 0.198 Uiso 1 1 calc R U . . .
C46 C 0.4486(5) -0.0360(5) 0.1148(2) 0.124(4) Uani 1 1 d . U . . .
H46 H 0.410708 -0.049430 0.120513 0.149 Uiso 1 1 calc R U . . .
C51 C 0.1508(4) 0.0049(3) 0.05013(15) 0.0528(18) Uani 1 1 d . U . . .
C52 C 0.0961(4) 0.0206(3) 0.03366(16) 0.063(2) Uani 1 1 d . U . . .
H52 H 0.060473 0.037353 0.039519 0.076 Uiso 1 1 calc R U . . .
C53 C 0.0943(5) 0.0112(4) 0.00832(17) 0.071(2) Uani 1 1 d . U . . .
H53 H 0.057439 0.022075 -0.002815 0.085 Uiso 1 1 calc R U . . .
C54 C 0.1460(5) -0.0137(4) -0.00054(17) 0.078(3) Uani 1 1 d . U . . .
H54 H 0.143928 -0.020122 -0.017579 0.094 Uiso 1 1 calc R U . . .
C55 C 0.2015(5) -0.0294(4) 0.01591(17) 0.082(3) Uani 1 1 d . U . . .
H55 H 0.236537 -0.047038 0.010079 0.099 Uiso 1 1 calc R U . . .
C56 C 0.2041(4) -0.0182(3) 0.04157(16) 0.065(2) Uani 1 1 d . U . . .
H56 H 0.242066 -0.026659 0.052686 0.078 Uiso 1 1 calc R U . . .
C61 C 0.3394(4) -0.0220(4) 0.17005(17) 0.069(2) Uani 1 1 d . U . . .
C62A C 0.3602(12) -0.0037(10) 0.1909(4) 0.109(8) Uani 0.452(16) 1 d . U P B 1
H62A H 0.340618 0.027388 0.194960 0.131 Uiso 0.452(16) 1 calc DR U P B 1
C63A C 0.4120(13) -0.0250(10) 0.2099(4) 0.122(8) Uani 0.452(16) 1 d . U P B 1
H63A H 0.425289 -0.008702 0.225195 0.146 Uiso 0.452(16) 1 calc DR U P B 1
C64A C 0.440(2) -0.0727(16) 0.2030(9) 0.110(10) Uani 0.452(16) 1 d . U P B 1
H64A H 0.477247 -0.087923 0.212563 0.132 Uiso 0.452(16) 1 calc R U P B 1
C62B C 0.3967(9) 0.0117(9) 0.1812(4) 0.088(6) Uani 0.548(16) 1 d . U P B 2
H62B H 0.393908 0.047641 0.179015 0.106 Uiso 0.548(16) 1 calc R U P B 2
C63B C 0.4519(9) -0.0092(9) 0.1942(5) 0.101(6) Uani 0.548(16) 1 d . U P B 2
H63B H 0.486313 0.011597 0.202151 0.121 Uiso 0.548(16) 1 calc R U P B 2
C64B C 0.4551(17) -0.0597(16) 0.1952(7) 0.105(8) Uani 0.548(16) 1 d . U P B 2
H64B H 0.491061 -0.074087 0.205604 0.126 Uiso 0.548(16) 1 calc R U P B 2
C65 C 0.4116(6) -0.0933(4) 0.1827(2) 0.104(4) Uani 1 1 d . U . . .
H65 H 0.427949 -0.124872 0.177586 0.125 Uiso 1 1 calc R U . B 1
C66 C 0.3571(5) -0.0707(4) 0.1678(2) 0.099(4) Uani 1 1 d . U . . .
H66 H 0.332105 -0.091199 0.155701 0.119 Uiso 1 1 calc R U . . .
C71 C -0.1264(4) -0.0156(4) 0.08024(18) 0.072(2) Uani 1 1 d . U . . .
C72 C -0.1340(5) -0.0110(4) 0.1056(2) 0.096(3) Uani 1 1 d . U . . .
H72 H -0.100471 0.005075 0.116504 0.115 Uiso 1 1 calc R U . . .
C73 C -0.1895(6) -0.0297(5) 0.1146(3) 0.121(4) Uani 1 1 d . U . . .
H73 H -0.193932 -0.026672 0.131472 0.145 Uiso 1 1 calc R U . . .
C74 C -0.2389(7) -0.0533(6) 0.0978(3) 0.143(5) Uani 1 1 d . U . . .
H74 H -0.277238 -0.066117 0.103325 0.172 Uiso 1 1 calc R U . . .
C75 C -0.2315(7) -0.0578(6) 0.0727(3) 0.156(6) Uani 1 1 d . U . . .
H75 H -0.265628 -0.072974 0.061736 0.187 Uiso 1 1 calc R U . . .
C76 C -0.1752(6) -0.0404(5) 0.0638(2) 0.116(4) Uani 1 1 d . U . . .
H76 H -0.169845 -0.045233 0.047105 0.140 Uiso 1 1 calc R U . . .
C81 C -0.0009(4) -0.0208(4) 0.15983(16) 0.063(2) Uani 1 1 d . U . . .
C82A C -0.0261(14) 0.0050(12) 0.1779(5) 0.084(6) Uani 0.67(3) 1 d . U P C 1
H82A H -0.011649 0.038531 0.182465 0.101 Uiso 0.67(3) 1 calc R U P C 1
C83A C -0.0745(13) -0.0196(10) 0.1898(5) 0.097(6) Uani 0.67(3) 1 d . U P C 1
H83A H -0.094657 0.000030 0.201171 0.116 Uiso 0.67(3) 1 calc R U P C 1
C84A C -0.0945(14) -0.0694(10) 0.1861(5) 0.101(6) Uani 0.67(3) 1 d . U P C 1
H84A H -0.127419 -0.084177 0.194379 0.122 Uiso 0.67(3) 1 calc R U P C 1
C85A C -0.0625(13) -0.0971(9) 0.1691(5) 0.094(6) Uani 0.67(3) 1 d . U P C 1
H85A H -0.074251 -0.131733 0.165792 0.113 Uiso 0.67(3) 1 calc R U P C 1
C86A C -0.0128(13) -0.0742(9) 0.1569(5) 0.081(6) Uani 0.67(3) 1 d . U P C 1
H86A H 0.011714 -0.094255 0.147022 0.098 Uiso 0.67(3) 1 calc R U P C 1
C82B C -0.050(3) 0.006(2) 0.1704(9) 0.074(8) Uani 0.33(3) 1 d . U P C 2
H82B H -0.045698 0.041959 0.171452 0.089 Uiso 0.33(3) 1 calc R U P C 2
C83B C -0.104(3) -0.016(2) 0.1794(9) 0.090(8) Uani 0.33(3) 1 d . U P C 2
H83B H -0.129913 0.002205 0.189470 0.108 Uiso 0.33(3) 1 calc R U P C 2
C84B C -0.117(2) -0.063(2) 0.1730(10) 0.095(8) Uani 0.33(3) 1 d . U P C 2
H84B H -0.152016 -0.079806 0.178971 0.114 Uiso 0.33(3) 1 calc R U P C 2
C85B C -0.086(3) -0.085(2) 0.1599(9) 0.086(8) Uani 0.33(3) 1 d . U P C 2
H85B H -0.096471 -0.118747 0.155099 0.104 Uiso 0.33(3) 1 calc R U P C 2
C86B C -0.036(2) -0.0621(19) 0.1519(10) 0.073(8) Uani 0.33(3) 1 d . U P C 2
H86B H -0.022908 -0.077804 0.137893 0.088 Uiso 0.33(3) 1 calc R U P C 2
C91 C 0.2306(7) -0.0199(6) 0.2378(2) 0.156(5) Uani 1 1 d D U . . .
C92 C 0.3016(8) -0.0193(9) 0.2379(3) 0.261(8) Uani 1 1 d D U . . .
H92 H 0.317430 -0.008995 0.223266 0.314 Uiso 1 1 calc DR U . . .
C93 C 0.3478(7) -0.0328(11) 0.2578(4) 0.269(10) Uani 1 1 d D U . . .
H93 H 0.393173 -0.030804 0.256485 0.322 Uiso 1 1 calc DR U . . .
C94 C 0.3275(10) -0.0496(11) 0.2802(4) 0.293(11) Uani 1 1 d D U . . .
H94 H 0.356813 -0.052601 0.295073 0.351 Uiso 1 1 calc R U . . .
C95 C 0.2620(10) -0.0609(10) 0.2785(3) 0.282(10) Uani 1 1 d D U . . .
H95 H 0.248425 -0.084914 0.289693 0.338 Uiso 1 1 calc R U . . .
C96 C 0.2139(8) -0.0389(9) 0.2610(3) 0.252(8) Uani 1 1 d D U . . .
H96 H 0.170006 -0.036270 0.264320 0.303 Uiso 1 1 calc R U . . .
C101 C 0.2667(4) 0.1605(4) 0.04245(17) 0.069(2) Uani 1 1 d . U . . .
C102 C 0.2462(5) 0.1184(4) 0.0289(2) 0.088(3) Uani 1 1 d . U . . .
H102 H 0.226714 0.090767 0.036324 0.106 Uiso 1 1 calc R U . . .
C103 C 0.2539(6) 0.1155(5) 0.0035(2) 0.114(4) Uani 1 1 d . U . . .
H103 H 0.238858 0.086663 -0.006107 0.137 Uiso 1 1 calc R U . . .
C104 C 0.2847(6) 0.1569(6) -0.0069(2) 0.117(4) Uani 1 1 d . U . . .
H104 H 0.292060 0.155200 -0.023455 0.140 Uiso 1 1 calc R U . . .
C105 C 0.3039(6) 0.1995(5) 0.0068(2) 0.108(4) Uani 1 1 d . U . . .
H105 H 0.323582 0.227493 -0.000265 0.129 Uiso 1 1 calc R U . . .
C106 C 0.2941(5) 0.2009(4) 0.03120(19) 0.087(3) Uani 1 1 d . U . . .
H106 H 0.306670 0.230686 0.040525 0.104 Uiso 1 1 calc R U . . .
C111 C 0.4385(13) 0.118(2) 0.1589(6) 0.136(8) Uani 0.323(15) 1 d D U P D 1
C112 C 0.4505(18) 0.1345(19) 0.1831(5) 0.168(9) Uani 0.323(15) 1 d D U P D 1
H112 H 0.417936 0.153140 0.189990 0.201 Uiso 0.323(15) 1 calc R U P D 1
C113 C 0.5114(19) 0.124(2) 0.1973(6) 0.215(11) Uani 0.323(15) 1 d D U P D 1
H113 H 0.527638 0.142917 0.211458 0.258 Uiso 0.323(15) 1 calc R U P D 1
C114 C 0.547(2) 0.082(2) 0.1892(4) 0.235(12) Uani 0.323(15) 1 d D U P D 1
H114 H 0.569862 0.057646 0.200157 0.281 Uiso 0.323(15) 1 calc R U P D 1
C311 C 0.4509(7) 0.1319(8) 0.1534(3) 0.113(5) Uani 0.677(15) 1 d D U P D 2
C312 C 0.4832(10) 0.1724(7) 0.1681(4) 0.177(8) Uani 0.677(15) 1 d D U P D 2
H312 H 0.462758 0.204777 0.168686 0.212 Uiso 0.677(15) 1 calc R U P D 2
C313 C 0.5438(11) 0.1636(8) 0.1813(5) 0.212(10) Uani 0.677(15) 1 d D U P D 2
H313 H 0.565539 0.189941 0.191153 0.255 Uiso 0.677(15) 1 calc R U P D 2
C314 C 0.5733(9) 0.1161(10) 0.1802(4) 0.216(9) Uani 0.677(15) 1 d D U P D 2
H314 H 0.612713 0.108872 0.190820 0.260 Uiso 0.677(15) 1 calc R U P D 2
C115 C 0.5456(7) 0.0786(7) 0.1638(3) 0.229(8) Uani 1 1 d D U . . .
H115 H 0.583054 0.067592 0.156924 0.275 Uiso 1 1 calc R U . D 1
C116 C 0.4863(7) 0.0924(6) 0.1483(3) 0.193(6) Uani 1 1 d D U . . .
H116 H 0.480055 0.084400 0.131339 0.232 Uiso 1 1 calc R U . D 1
C121 C 0.0327(4) 0.1470(4) 0.02987(16) 0.066(2) Uani 1 1 d . U . . .
C122 C 0.0846(4) 0.1657(4) 0.01736(17) 0.080(3) Uani 1 1 d . U . . .
H122 H 0.122301 0.181141 0.026242 0.096 Uiso 1 1 calc R U . . .
C123 C 0.0783(6) 0.1605(5) -0.0089(2) 0.102(3) Uani 1 1 d . U . . .
H123 H 0.112154 0.172454 -0.017482 0.123 Uiso 1 1 calc R U . . .
C124 C 0.0220(6) 0.1378(5) -0.02158(19) 0.099(3) Uani 1 1 d . U . . .
H124 H 0.017748 0.135052 -0.038910 0.118 Uiso 1 1 calc R U . . .
C125 C -0.0271(5) 0.1195(4) -0.00963(18) 0.076(3) Uani 1 1 d . U . . .
H125 H -0.064452 0.103899 -0.018716 0.091 Uiso 1 1 calc R U . . .
C126 C -0.0226(4) 0.1236(4) 0.01626(17) 0.075(3) Uani 1 1 d . U . . .
H126 H -0.056741 0.110625 0.024405 0.089 Uiso 1 1 calc R U . . .
C131 C 0.1630(4) 0.2093(3) 0.13392(16) 0.062(2) Uani 1 1 d . U . . .
C132 C 0.2193(15) 0.2373(13) 0.1390(5) 0.080(6) Uani 0.62(2) 1 d . U P E 1
H132 H 0.259976 0.219624 0.141236 0.096 Uiso 0.62(2) 1 calc R U P E 1
C133 C 0.2202(14) 0.2882(12) 0.1411(5) 0.094(7) Uani 0.62(2) 1 d . U P E 1
H133 H 0.260040 0.306228 0.140793 0.113 Uiso 0.62(2) 1 calc R U P E 1
C134 C 0.164(2) 0.3143(12) 0.1435(6) 0.101(7) Uani 0.62(2) 1 d . U P E 1
H134 H 0.164848 0.350521 0.143393 0.121 Uiso 0.62(2) 1 calc R U P E 1
C135 C 0.1075(12) 0.2892(9) 0.1462(5) 0.105(6) Uani 0.62(2) 1 d . U P E 1
H135 H 0.070382 0.306660 0.150534 0.126 Uiso 0.62(2) 1 calc R U P E 1
C136 C 0.1069(10) 0.2348(8) 0.1421(5) 0.085(6) Uani 0.62(2) 1 d . U P E 1
H136 H 0.069590 0.215407 0.144712 0.102 Uiso 0.62(2) 1 calc R U P E 1
C232 C 0.215(3) 0.241(2) 0.1274(7) 0.071(7) Uani 0.38(2) 1 d . U P E 2
H232 H 0.252359 0.226467 0.122053 0.086 Uiso 0.38(2) 1 calc R U P E 2
C233 C 0.208(2) 0.2945(19) 0.1293(8) 0.084(7) Uani 0.38(2) 1 d . U P E 2
H233 H 0.246113 0.313138 0.127405 0.100 Uiso 0.38(2) 1 calc R U P E 2
C234 C 0.160(3) 0.322(2) 0.1331(9) 0.099(8) Uani 0.38(2) 1 d . U P E 2
H234 H 0.159735 0.357196 0.137584 0.119 Uiso 0.38(2) 1 calc R U P E 2
C235 C 0.1022(18) 0.2864(14) 0.1286(9) 0.102(8) Uani 0.38(2) 1 d . U P E 2
H235 H 0.059763 0.301008 0.127930 0.122 Uiso 0.38(2) 1 calc R U P E 2
C236 C 0.1051(16) 0.2359(14) 0.1256(8) 0.084(7) Uani 0.38(2) 1 d . U P E 2
H236 H 0.067837 0.217966 0.117756 0.100 Uiso 0.38(2) 1 calc R U P E 2
C141 C 0.2977(6) 0.1888(5) 0.2106(2) 0.109(4) Uani 1 1 d . U . . .
C142 C 0.2976(8) 0.2056(6) 0.2346(3) 0.224(7) Uani 1 1 d . U . . .
H142 H 0.284136 0.182225 0.246011 0.269 Uiso 1 1 calc DR U . . .
C143 C 0.3167(10) 0.2564(8) 0.2432(4) 0.246(8) Uani 1 1 d . U . . .
H143 H 0.319323 0.267276 0.259729 0.295 Uiso 1 1 calc R U . . .
C144 C 0.3323(11) 0.2905(8) 0.2219(4) 0.222(8) Uani 1 1 d . U . . .
H144 H 0.337331 0.326307 0.224275 0.267 Uiso 1 1 calc R U . . .
C145 C 0.3382(10) 0.2716(7) 0.2019(3) 0.194(7) Uani 1 1 d . U . . .
H145 H 0.355524 0.291992 0.190143 0.233 Uiso 1 1 calc R U . . .
C146 C 0.3202(9) 0.2211(6) 0.1960(3) 0.181(6) Uani 1 1 d . U . . .
H146 H 0.324857 0.209540 0.179973 0.217 Uiso 1 1 calc R U . . .
C151 C -0.0638(4) 0.1939(4) 0.1264(2) 0.074(2) Uani 1 1 d . U . . .
C152 C -0.0779(5) 0.2137(4) 0.1485(2) 0.100(3) Uani 1 1 d . U . . .
H152 H -0.079484 0.192325 0.162333 0.121 Uiso 1 1 calc R U . . .
C153 C -0.0902(6) 0.2682(5) 0.1496(3) 0.120(4) Uani 1 1 d . U . . .
H153 H -0.100271 0.281682 0.164645 0.144 Uiso 1 1 calc R U . . .
C154 C -0.0883(7) 0.3011(5) 0.1308(3) 0.126(5) Uani 1 1 d . U . . .
H154 H -0.096740 0.336525 0.132209 0.151 Uiso 1 1 calc R U . . .
C155 C -0.0729(7) 0.2794(5) 0.1088(3) 0.130(4) Uani 1 1 d . U . . .
H155 H -0.070322 0.300979 0.095107 0.155 Uiso 1 1 calc R U . . .
C156 C -0.0611(5) 0.2257(4) 0.1064(2) 0.095(3) Uani 1 1 d . U . . .
H156 H -0.051523 0.212126 0.091377 0.114 Uiso 1 1 calc R U . . .
C161 C 0.0629(5) 0.1983(4) 0.2037(2) 0.088(3) Uani 1 1 d . U . . .
C162 C 0.0150(7) 0.2245(6) 0.2118(3) 0.147(5) Uani 1 1 d . U . . .
H162 H -0.023982 0.207027 0.214198 0.176 Uiso 1 1 calc R U . . .
C163 C 0.0201(9) 0.2792(7) 0.2171(4) 0.177(6) Uani 1 1 d . U . . .
H163 H -0.015997 0.296565 0.222271 0.213 Uiso 1 1 calc R U . . .
C164 C 0.0722(10) 0.3038(6) 0.2148(4) 0.189(7) Uani 1 1 d . U . . .
H164 H 0.073797 0.339692 0.217083 0.227 Uiso 1 1 calc R U . . .
C165 C 0.1270(10) 0.2778(7) 0.2089(4) 0.229(8) Uani 1 1 d . U . . .
H165 H 0.168566 0.294129 0.210443 0.274 Uiso 1 1 calc R U . . .
C166 C 0.1198(8) 0.2272(6) 0.2008(4) 0.187(6) Uani 1 1 d . U . . .
H166 H 0.153504 0.211839 0.193216 0.224 Uiso 1 1 calc R U . . .
C200 C 0.2370(4) -0.2556(3) 0.11306(15) 0.062(2) Uani 1 1 d . U . . .
H200 H 0.269463 -0.231156 0.110670 0.074 Uiso 1 1 calc R U . . .
C201 C 0.2556(4) -0.3079(4) 0.11437(15) 0.064(2) Uani 1 1 d . U . . .
H201 H 0.299037 -0.317851 0.112578 0.077 Uiso 1 1 calc R U . . .
C202 C 0.2084(5) -0.3448(4) 0.11837(15) 0.065(2) Uani 1 1 d . U . . .
C203 C 0.1447(5) -0.3270(4) 0.12046(16) 0.069(2) Uani 1 1 d . U . . .
H203 H 0.111214 -0.350323 0.123200 0.083 Uiso 1 1 calc R U . . .
C204 C 0.1313(4) -0.2742(4) 0.11842(18) 0.074(3) Uani 1 1 d . U . . .
H204 H 0.088070 -0.262898 0.119523 0.089 Uiso 1 1 calc R U . . .
C205 C 0.2248(5) -0.4015(3) 0.12210(16) 0.075(3) Uani 1 1 d . U . . .
H20A H 0.264794 -0.409574 0.114804 0.090 Uiso 1 1 calc R U . . .
H20B H 0.188299 -0.422292 0.113633 0.090 Uiso 1 1 calc R U . . .
C206 C 0.2359(5) -0.4152(4) 0.14986(16) 0.075(3) Uani 1 1 d . U . . .
H20C H 0.197130 -0.404227 0.157277 0.090 Uiso 1 1 calc R U . . .
H20D H 0.239618 -0.452754 0.151588 0.090 Uiso 1 1 calc R U . . .
C207 C 0.2409(18) 0.1079(10) 0.2685(7) 0.102(8) Uani 0.47(3) 1 d . U P F 1
H207 H 0.276992 0.110833 0.259600 0.122 Uiso 0.47(3) 1 calc DR U P F 1
C208 C 0.2526(16) 0.1074(15) 0.2934(6) 0.093(7) Uani 0.47(3) 1 d . U P F 1
H208 H 0.296220 0.108863 0.301675 0.111 Uiso 0.47(3) 1 calc R U P F 1
C307 C 0.2329(17) 0.0795(13) 0.2699(6) 0.095(7) Uani 0.53(3) 1 d . U P F 2
H307 H 0.265219 0.064547 0.261477 0.114 Uiso 0.53(3) 1 calc R U P F 2
C308 C 0.2420(14) 0.0754(15) 0.2960(5) 0.092(7) Uani 0.53(3) 1 d . U P F 2
H308 H 0.275966 0.055594 0.304915 0.111 Uiso 0.53(3) 1 calc R U P F 2
C209 C 0.1942(5) 0.1045(4) 0.30794(17) 0.084(3) Uani 1 1 d . U . . .
C210 C 0.2030(5) 0.1093(5) 0.33599(17) 0.095(3) Uani 1 1 d . U . . .
H21A H 0.203490 0.146067 0.340185 0.113 Uiso 1 1 calc R U . . .
H21B H 0.164132 0.094042 0.341881 0.113 Uiso 1 1 calc R U . . .
C211 C 0.1355(5) 0.1149(4) 0.29390(17) 0.084(3) Uani 1 1 d . U . . .
H211 H 0.098250 0.122557 0.301608 0.101 Uiso 1 1 calc R U . . .
C212 C 0.1298(5) 0.1142(4) 0.26861(18) 0.085(3) Uani 1 1 d . U . . .
H212 H 0.087802 0.121309 0.259744 0.102 Uiso 1 1 calc R U . . .
C213 C 0.4594(5) 0.1983(4) 0.07864(19) 0.083(3) Uani 1 1 d . U . . .
H213 H 0.453696 0.212487 0.094049 0.100 Uiso 1 1 calc R U . . .
C214 C 0.4974(4) 0.2257(4) 0.0635(2) 0.081(3) Uani 1 1 d . U . . .
H214 H 0.515758 0.257576 0.069027 0.097 Uiso 1 1 calc R U . . .
C215 C 0.5084(4) 0.2074(4) 0.04124(18) 0.067(2) Uani 1 1 d . U . . .
C216 C 0.4781(4) 0.1613(4) 0.03405(18) 0.075(3) Uani 1 1 d . U . . .
H216 H 0.483492 0.147031 0.018624 0.090 Uiso 1 1 calc R U . . .
C217 C 0.4396(4) 0.1356(4) 0.04938(18) 0.075(3) Uani 1 1 d . U . . .
H217 H 0.418761 0.104683 0.043628 0.090 Uiso 1 1 calc R U . . .
C218 C 0.5503(4) 0.2354(4) 0.02483(19) 0.080(3) Uani 1 1 d . U . . .
H21C H 0.557642 0.270994 0.030689 0.096 Uiso 1 1 calc R U . . .
H21D H 0.526830 0.236626 0.007885 0.096 Uiso 1 1 calc R U . . .
C219 C 0.6185(4) 0.2081(4) 0.02486(16) 0.066(2) Uani 1 1 d . U . . .
H21E H 0.611065 0.173374 0.017927 0.080 Uiso 1 1 calc R U . . .
H21F H 0.644686 0.227394 0.014211 0.080 Uiso 1 1 calc R U . . .
C220 C -0.2039(4) 0.1053(4) 0.05943(17) 0.074(3) Uani 1 1 d . U . . .
H220 H -0.199055 0.069696 0.062476 0.089 Uiso 1 1 calc R U . . .
C221 C -0.2666(4) 0.1254(4) 0.05579(17) 0.073(2) Uani 1 1 d . U . . .
H221 H -0.303417 0.103928 0.056438 0.088 Uiso 1 1 calc R U . . .
C222 C -0.2754(4) 0.1789(4) 0.05103(16) 0.069(2) Uani 1 1 d . U . . .
C223 C -0.2189(4) 0.2078(4) 0.04958(17) 0.078(3) Uani 1 1 d . U . . .
H223 H -0.221836 0.243539 0.046666 0.094 Uiso 1 1 calc R U . . .
C224 C -0.1571(4) 0.1826(4) 0.05257(19) 0.080(3) Uani 1 1 d . U . . .
H224 H -0.119622 0.201849 0.049911 0.097 Uiso 1 1 calc R U . . .
C225 C -0.3432(4) 0.2042(4) 0.05035(17) 0.080(3) Uani 1 1 d . U . . .
H22C H -0.369262 0.184283 0.060822 0.096 Uiso 1 1 calc R U . . .
H22D H -0.337224 0.238962 0.057402 0.096 Uiso 1 1 calc R U . . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'
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
N1 Cd1 S2 109.30(16) .
N1 Cd1 S1 100.44(18) .
S2 Cd1 S1 115.34(8) .
N1 Cd1 S3 104.91(17) .
S2 Cd1 S3 111.72(9) .
S1 Cd1 S3 113.87(10) .
N2 Cd2 S16 103.57(19) .
N2 Cd2 S14 102.0(2) .
S16 Cd2 S14 129.98(9) .
N2 Cd2 S9 94.4(2) .
S16 Cd2 S9 111.38(9) .
S14 Cd2 S9 108.60(9) .
N3 Cd3 S11 108.8(2) .
N3 Cd3 S4 102.4(2) .
S11 Cd3 S4 127.88(9) .
N3 Cd3 S10 94.88(19) .
S11 Cd3 S10 101.07(9) .
S4 Cd3 S10 116.84(8) .
N4 Cd4 S7 102.2(2) .
N4 Cd4 S15 102.22(19) .
S7 Cd4 S15 117.14(8) .
N4 Cd4 S12 103.63(19) .
S7 Cd4 S12 118.12(8) .
S15 Cd4 S12 110.66(8) .
S9 Cd5 S6 110.86(8) .
S9 Cd5 S3 112.85(9) .
S6 Cd5 S3 115.61(9) .
S9 Cd5 S8 103.70(8) .
S6 Cd5 S8 105.76(7) .
S3 Cd5 S8 107.00(9) .
S5 Cd6 S10 117.26(7) .
S5 Cd6 S12 113.17(7) .
S10 Cd6 S12 113.73(8) .
S5 Cd6 S13 104.41(7) .
S10 Cd6 S13 98.05(8) .
S12 Cd6 S13 108.15(7) .
S4 Ag1 S6 119.48(8) .
S4 Ag1 S5 107.52(7) .
S6 Ag1 S5 105.10(7) .
S4 Ag1 S1 110.08(8) .
S6 Ag1 S1 104.76(7) .
S5 Ag1 S1 109.56(7) .
S7 Ag2 S2 105.48(8) .
S7 Ag2 S8 118.68(8) .
S2 Ag2 S8 115.73(7) .
S7 Ag2 S5 106.92(7) .
S2 Ag2 S5 107.47(7) .
S8 Ag2 S5 101.75(7) .
S14 Ag3 S11 112.15(9) .
S14 Ag3 S13 111.82(8) .
S11 Ag3 S13 108.46(8) .
S14 Ag3 S6 103.71(8) .
S11 Ag3 S6 115.66(8) .
S13 Ag3 S6 104.83(7) .
S13 Ag4 S8 104.33(7) .
S13 Ag4 S16 117.88(8) .
S8 Ag4 S16 111.26(8) .
S13 Ag4 S15 114.32(7) .
S8 Ag4 S15 98.14(7) .
S16 Ag4 S15 109.00(8) .
C11 S1 Cd1 108.1(3) .
C11 S1 Ag1 105.9(3) .
Cd1 S1 Ag1 108.10(9) .
C21 S2 Cd1 110.9(4) .
C21 S2 Ag2 109.9(3) .
Cd1 S2 Ag2 104.04(8) .
C31 S3 Cd1 111.7(4) .
C31 S3 Cd5 115.0(5) .
Cd1 S3 Cd5 104.77(10) .
C41 S4 Cd3 104.4(3) .
C41 S4 Ag1 111.8(3) .
Cd3 S4 Ag1 99.14(9) .
C51 S5 Cd6 103.3(3) .
C51 S5 Ag1 107.6(3) .
Cd6 S5 Ag1 110.60(7) .
C51 S5 Ag2 108.2(3) .
Cd6 S5 Ag2 112.56(8) .
Ag1 S5 Ag2 113.86(8) .
C61 S6 Cd5 104.0(3) .
C61 S6 Ag1 109.8(3) .
Cd5 S6 Ag1 112.02(8) .
C61 S6 Ag3 109.5(3) .
Cd5 S6 Ag3 114.12(8) .
Ag1 S6 Ag3 107.35(8) .
C71 S7 Cd4 104.9(3) .
C71 S7 Ag2 109.2(3) .
Cd4 S7 Ag2 98.04(8) .
C81 S8 Cd5 102.3(3) .
C81 S8 Ag2 109.4(3) .
Cd5 S8 Ag2 110.34(8) .
C81 S8 Ag4 107.5(3) .
Cd5 S8 Ag4 111.75(8) .
Ag2 S8 Ag4 114.72(8) .
C91 S9 Cd2 103.5(5) .
C91 S9 Cd5 120.8(5) .
Cd2 S9 Cd5 105.22(9) .
C101 S10 Cd3 99.5(3) .
C101 S10 Cd6 112.6(3) .
Cd3 S10 Cd6 106.01(9) .
C311 S11 Cd3 109.4(5) .
C111 S11 Cd3 113.0(8) .
C311 S11 Ag3 112.6(7) .
C111 S11 Ag3 95.3(17) .
Cd3 S11 Ag3 100.58(9) .
C121 S12 Cd4 108.3(3) .
C121 S12 Cd6 110.5(3) .
Cd4 S12 Cd6 103.02(9) .
C131 S13 Ag4 107.5(3) .
C131 S13 Cd6 106.5(3) .
Ag4 S13 Cd6 111.48(8) .
C131 S13 Ag3 107.5(3) .
Ag4 S13 Ag3 111.37(8) .
Cd6 S13 Ag3 112.17(8) .
C141 S14 Cd2 112.8(4) .
C141 S14 Ag3 110.6(4) .
Cd2 S14 Ag3 103.31(9) .
C151 S15 Cd4 108.6(4) .
C151 S15 Ag4 104.5(3) .
Cd4 S15 Ag4 108.34(9) .
C161 S16 Cd2 104.9(3) .
C161 S16 Ag4 113.4(4) .
Cd2 S16 Ag4 93.35(8) .
C200 N1 C204 117.1(8) .
C200 N1 Cd1 117.5(6) .
C204 N1 Cd1 124.7(6) .
C212 N2 C207 115.2(17) .
C212 N2 C307 112.2(16) .
C212 N2 Cd2 126.1(6) .
C207 N2 Cd2 118.0(16) .
C307 N2 Cd2 117.1(14) .
C213 N3 C217 115.1(8) .
C213 N3 Cd3 122.2(6) .
C217 N3 Cd3 121.9(6) .
C224 N4 C220 116.9(8) .
C224 N4 Cd4 122.3(6) .
C220 N4 Cd4 118.3(6) .
C16 C11 C12 118.5(9) .
C16 C11 S1 118.7(7) .
C12 C11 S1 122.8(7) .
C11 C12 C13 120.3(8) .
C11 C12 H12 119.8 .
C13 C12 H12 119.8 .
C14 C13 C12 119.8(9) .
C14 C13 H13 120.1 .
C12 C13 H13 120.1 .
C13 C14 C15 119.8(10) .
C13 C14 H14 120.1 .
C15 C14 H14 120.1 .
C16 C15 C14 119.7(10) .
C16 C15 H15 120.2 .
C14 C15 H15 120.2 .
C11 C16 C15 121.9(10) .
C11 C16 H16 119.1 .
C15 C16 H16 119.1 .
C22B C21 C26B 119.5(12) .
C22A C21 C26A 118.5(19) .
C22B C21 S2 130.4(15) .
C26B C21 S2 110.0(14) .
C22A C21 S2 114.9(15) .
C26A C21 S2 126.6(17) .
C21 C22A C23A 119(2) .
C21 C22A H22A 120.4 .
C23A C22A H22A 120.4 .
C24A C23A C22A 121(3) .
C24A C23A H23A 119.5 .
C22A C23A H23A 119.5 .
C25A C24A C23A 121(3) .
C25A C24A H24A 119.3 .
C23A C24A H24A 119.3 .
C24A C25A C26A 119(3) .
C24A C25A H25A 120.5 .
C26A C25A H25A 120.5 .
C21 C26A C25A 121(2) .
C21 C26A H26A 119.6 .
C25A C26A H26A 119.6 .
C21 C22B C23B 120.3(14) .
C21 C22B H22B 119.8 .
C23B C22B H22B 119.8 .
C24B C23B C22B 119.9(14) .
C24B C23B H23B 120.1 .
C22B C23B H23B 120.1 .
C25B C24B C23B 120.7(14) .
C25B C24B H24B 119.6 .
C23B C24B H24B 119.6 .
C24B C25B C26B 119.6(14) .
C24B C25B H25B 120.2 .
C26B C25B H25B 120.2 .
C25B C26B C21 119.8(14) .
C25B C26B H26B 120.1 .
C21 C26B H26B 120.1 .
C36 C31 C32 114.6(13) .
C36 C31 S3 124.1(11) .
C32 C31 S3 121.3(11) .
C31 C32 C33 116.5(15) .
C31 C32 H32 121.7 .
C33 C32 H32 121.7 .
C34 C33 C32 124.7(18) .
C34 C33 H33 117.7 .
C32 C33 H33 117.7 .
C35 C34 C33 118(2) .
C35 C34 H34 121.0 .
C33 C34 H34 121.0 .
C34 C35 C36 120(2) .
C34 C35 H35 119.9 .
C36 C35 H35 119.9 .
C31 C36 C35 125.9(16) .
C31 C36 H36 117.0 .
C35 C36 H36 117.0 .
C46 C41 C42 116.1(10) .
C46 C41 S4 121.5(8) .
C42 C41 S4 122.3(9) .
C43 C42 C41 120.0(12) .
C43 C42 H42 120.0 .
C41 C42 H42 120.0 .
C44 C43 C42 121.3(14) .
C44 C43 H43 119.3 .
C42 C43 H43 119.3 .
C43 C44 C45 120.4(14) .
C43 C44 H44 119.8 .
C45 C44 H44 119.8 .
C44 C45 C46 119.4(14) .
C44 C45 H45 120.3 .
C46 C45 H45 120.3 .
C41 C46 C45 122.7(12) .
C41 C46 H46 118.7 .
C45 C46 H46 118.7 .
C56 C51 C52 120.5(8) .
C56 C51 S5 119.7(6) .
C52 C51 S5 119.7(7) .
C51 C52 C53 119.6(8) .
C51 C52 H52 120.2 .
C53 C52 H52 120.2 .
C54 C53 C52 120.8(9) .
C54 C53 H53 119.6 .
C52 C53 H53 119.6 .
C53 C54 C55 120.0(9) .
C53 C54 H54 120.0 .
C55 C54 H54 120.0 .
C54 C55 C56 118.9(9) .
C54 C55 H55 120.5 .
C56 C55 H55 120.5 .
C51 C56 C55 120.1(8) .
C51 C56 H56 120.0 .
C55 C56 H56 120.0 .
C62A C61 C66 112.6(14) .
C66 C61 C62B 112.4(11) .
C62A C61 S6 119.4(13) .
C66 C61 S6 123.3(7) .
C62B C61 S6 120.2(10) .
C61 C62A C63A 128(2) .
C61 C62A H62A 116.0 .
C63A C62A H62A 116.0 .
C64A C63A C62A 114(3) .
C64A C63A H63A 122.9 .
C62A C63A H63A 122.9 .
C65 C64A C63A 115(3) .
C65 C64A H64A 122.3 .
C63A C64A H64A 122.3 .
C63B C62B C61 121.1(19) .
C63B C62B H62B 119.4 .
C61 C62B H62B 119.4 .
C64B C63B C62B 117(2) .
C64B C63B H63B 121.6 .
C62B C63B H63B 121.6 .
C63B C64B C65 127(3) .
C63B C64B H64B 116.7 .
C65 C64B H64B 116.7 .
C64A C65 C66 123(2) .
C64B C65 C66 115(2) .
C64A C65 H65 118.4 .
C66 C65 H65 118.4 .
C61 C66 C65 123.2(10) .
C61 C66 H66 118.4 .
C65 C66 H66 118.4 .
C76 C71 C72 119.9(10) .
C76 C71 S7 119.0(9) .
C72 C71 S7 121.0(8) .
C73 C72 C71 121.8(12) .
C73 C72 H72 119.1 .
C71 C72 H72 119.1 .
C72 C73 C74 117.7(14) .
C72 C73 H73 121.2 .
C74 C73 H73 121.2 .
C75 C74 C73 120.7(14) .
C75 C74 H74 119.7 .
C73 C74 H74 119.7 .
C76 C75 C74 121.7(14) .
C76 C75 H75 119.1 .
C74 C75 H75 119.1 .
C75 C76 C71 118.2(13) .
C75 C76 H76 120.9 .
C71 C76 H76 120.9 .
C86B C81 C82B 98(3) .
C82A C81 C86A 119.4(17) .
C86B C81 S8 125(2) .
C82A C81 S8 121.2(13) .
C82B C81 S8 127(3) .
C86A C81 S8 117.4(11) .
C81 C82A C83A 118(2) .
C81 C82A H82A 120.8 .
C83A C82A H82A 120.8 .
C84A C83A C82A 125(2) .
C84A C83A H83A 117.4 .
C82A C83A H83A 117.4 .
C83A C84A C85A 115(2) .
C83A C84A H84A 122.4 .
C85A C84A H84A 122.4 .
C84A C85A C86A 122(2) .
C84A C85A H85A 119.1 .
C86A C85A H85A 119.1 .
C81 C86A C85A 118.6(18) .
C81 C86A H86A 120.7 .
C85A C86A H86A 120.7 .
C83B C82B C81 126(5) .
C83B C82B H82B 116.9 .
C81 C82B H82B 116.9 .
C84B C83B C82B 116(4) .
C84B C83B H83B 122.2 .
C82B C83B H83B 122.2 .
C85B C84B C83B 121(5) .
C85B C84B H84B 119.3 .
C83B C84B H84B 119.3 .
C84B C85B C86B 120(5) .
C84B C85B H85B 119.9 .
C86B C85B H85B 119.9 .
C85B C86B C81 132(4) .
C85B C86B H86B 114.0 .
C81 C86B H86B 114.0 .
C96 C91 C92 111.2(10) .
C96 C91 S9 118.3(12) .
C92 C91 S9 130.5(13) .
C93 C92 C91 124.8(12) .
C93 C92 H92 117.6 .
C91 C92 H92 117.6 .
C92 C93 C94 120.6(13) .
C92 C93 H93 119.7 .
C94 C93 H93 119.7 .
C95 C94 C93 114.3(14) .
C95 C94 H94 122.8 .
C93 C94 H94 122.8 .
C94 C95 C96 123.3(15) .
C94 C95 H95 118.3 .
C96 C95 H95 118.3 .
C95 C96 C91 120.7(12) .
C95 C96 H96 119.6 .
C91 C96 H96 119.6 .
C102 C101 C106 119.0(10) .
C102 C101 S10 122.0(8) .
C106 C101 S10 118.9(8) .
C101 C102 C103 120.7(11) .
C101 C102 H102 119.6 .
C103 C102 H102 119.6 .
C104 C103 C102 118.1(12) .
C104 C103 H103 121.0 .
C102 C103 H103 121.0 .
C105 C104 C103 120.7(13) .
C105 C104 H104 119.6 .
C103 C104 H104 119.6 .
C104 C105 C106 119.0(12) .
C104 C105 H105 120.5 .
C106 C105 H105 120.5 .
C105 C106 C101 122.4(11) .
C105 C106 H106 118.8 .
C101 C106 H106 118.8 .
C116 C111 C112 121.0(14) .
C116 C111 S11 118(2) .
C112 C111 S11 118(2) .
C111 C112 C113 119.4(14) .
C111 C112 H112 120.3 .
C113 C112 H112 120.3 .
C112 C113 C114 115.9(17) .
C112 C113 H113 122.0 .
C114 C113 H113 122.0 .
C115 C114 C113 115(2) .
C115 C114 H114 122.6 .
C113 C114 H114 122.6 .
C116 C311 C312 118.2(12) .
C116 C311 S11 127.2(12) .
C312 C311 S11 112.4(13) .
C313 C312 C311 119.2(13) .
C313 C312 H312 120.4 .
C311 C312 H312 120.4 .
C312 C313 C314 119.8(13) .
C312 C313 H313 120.1 .
C314 C313 H313 120.1 .
C313 C314 C115 121.0(12) .
C313 C314 H314 119.5 .
C115 C314 H314 119.5 .
C114 C115 C116 118.4(15) .
C314 C115 C116 116.2(12) .
C114 C115 H115 120.8 .
C116 C115 H115 120.8 .
C311 C116 C115 121.5(12) .
C111 C116 C115 117.9(12) .
C111 C116 H116 121.0 .
C115 C116 H116 121.0 .
C126 C121 C122 119.4(9) .
C126 C121 S12 123.0(7) .
C122 C121 S12 117.5(7) .
C121 C122 C123 118.9(9) .
C121 C122 H122 120.5 .
C123 C122 H122 120.5 .
C124 C123 C122 119.5(10) .
C124 C123 H123 120.3 .
C122 C123 H123 120.3 .
C125 C124 C123 121.6(10) .
C125 C124 H124 119.2 .
C123 C124 H124 119.2 .
C124 C125 C126 120.6(10) .
C124 C125 H125 119.7 .
C126 C125 H125 119.7 .
C121 C126 C125 120.0(9) .
C121 C126 H126 120.0 .
C125 C126 H126 120.0 .
C236 C131 C232 105(3) .
C132 C131 C136 112.2(18) .
C132 C131 S13 122.9(16) .
C236 C131 S13 118.6(16) .
C232 C131 S13 124(2) .
C136 C131 S13 118.9(11) .
C133 C132 C131 124(3) .
C133 C132 H132 118.2 .
C131 C132 H132 118.2 .
C132 C133 C134 120(3) .
C132 C133 H133 119.8 .
C134 C133 H133 119.8 .
C133 C134 C135 121(3) .
C133 C134 H134 119.4 .
C135 C134 H134 119.4 .
C134 C135 C136 116(2) .
C134 C135 H135 121.8 .
C136 C135 H135 121.8 .
C135 C136 C131 120.7(18) .
C135 C136 H136 119.6 .
C131 C136 H136 119.6 .
C233 C232 C131 118(4) .
C233 C232 H232 121.0 .
C131 C232 H232 121.0 .
C234 C233 C232 132(5) .
C234 C233 H233 114.0 .
C232 C233 H233 114.0 .
C233 C234 C235 103(4) .
C233 C234 H234 128.3 .
C235 C234 H234 128.3 .
C236 C235 C234 126(4) .
C236 C235 H235 116.9 .
C234 C235 H235 116.9 .
C235 C236 C131 120(3) .
C235 C236 H236 120.0 .
C131 C236 H236 120.0 .
C146 C141 C142 115.6(14) .
C146 C141 S14 124.3(11) .
C142 C141 S14 119.2(12) .
C141 C142 C143 124.4(17) .
C141 C142 H142 117.8 .
C143 C142 H142 117.8 .
C142 C143 C144 111.0(17) .
C142 C143 H143 124.5 .
C144 C143 H143 124.5 .
C145 C144 C143 120(2) .
C145 C144 H144 119.9 .
C143 C144 H144 119.9 .
C144 C145 C146 122(2) .
C144 C145 H145 118.8 .
C146 C145 H145 118.8 .
C141 C146 C145 125.1(17) .
C141 C146 H146 117.5 .
C145 C146 H146 117.5 .
C156 C151 C152 120.4(10) .
C156 C151 S15 122.1(9) .
C152 C151 S15 117.4(9) .
C151 C152 C153 117.5(11) .
C151 C152 H152 121.2 .
C153 C152 H152 121.2 .
C154 C153 C152 124.6(14) .
C154 C153 H153 117.7 .
C152 C153 H153 117.7 .
C153 C154 C155 115.8(13) .
C153 C154 H154 122.1 .
C155 C154 H154 122.1 .
C154 C155 C156 122.1(13) .
C154 C155 H155 118.9 .
C156 C155 H155 118.9 .
C151 C156 C155 119.5(11) .
C151 C156 H156 120.3 .
C155 C156 H156 120.3 .
C162 C161 C166 115.2(12) .
C162 C161 S16 121.6(11) .
C166 C161 S16 123.2(9) .
C161 C162 C163 122.5(14) .
C161 C162 H162 118.8 .
C163 C162 H162 118.8 .
C164 C163 C162 120.8(18) .
C164 C163 H163 119.6 .
C162 C163 H163 119.6 .
C163 C164 C165 119.9(18) .
C163 C164 H164 120.1 .
C165 C164 H164 120.1 .
C164 C165 C166 118.8(17) .
C164 C165 H165 120.6 .
C166 C165 H165 120.6 .
C165 C166 C161 121.3(15) .
C165 C166 H166 119.3 .
C161 C166 H166 119.3 .
N1 C200 C201 124.4(8) .
N1 C200 H200 117.8 .
C201 C200 H200 117.8 .
C202 C201 C200 118.7(9) .
C202 C201 H201 120.7 .
C200 C201 H201 120.7 .
C201 C202 C203 117.2(9) .
C201 C202 C205 122.8(9) .
C203 C202 C205 119.9(9) .
C204 C203 C202 119.3(9) .
C204 C203 H203 120.4 .
C202 C203 H203 120.4 .
N1 C204 C203 123.3(9) .
N1 C204 H204 118.3 .
C203 C204 H204 118.3 .
C202 C205 C206 110.8(7) .
C202 C205 H20A 109.5 .
C206 C205 H20A 109.5 .
C202 C205 H20B 109.5 .
C206 C205 H20B 109.5 .
H20A C205 H20B 108.1 .
C210 C206 C205 113.8(8) 4_545
C210 C206 H20C 108.8 4_545
C205 C206 H20C 108.8 .
C210 C206 H20D 108.8 4_545
C205 C206 H20D 108.8 .
H20C C206 H20D 107.7 .
C208 C207 N2 123(3) .
C208 C207 H207 118.7 .
N2 C207 H207 118.7 .
C207 C208 C209 119(3) .
C207 C208 H208 120.5 .
C209 C208 H208 120.5 .
C308 C307 N2 125(3) .
C308 C307 H307 117.6 .
N2 C307 H307 117.6 .
C307 C308 C209 114(2) .
C307 C308 H308 122.9 .
C209 C308 H308 122.9 .
C211 C209 C308 116.4(13) .
C211 C209 C210 121.6(9) .
C308 C209 C210 120.0(14) .
C211 C209 C208 112.9(14) .
C210 C209 C208 122.0(14) .
C206 C210 C209 116.9(9) 4
C206 C210 H21A 108.1 4
C209 C210 H21A 108.1 .
C206 C210 H21B 108.1 4
C209 C210 H21B 108.1 .
H21A C210 H21B 107.3 .
C209 C211 C212 120.7(9) .
C209 C211 H211 119.6 .
C212 C211 H211 119.6 .
N2 C212 C211 125.4(9) .
N2 C212 H212 117.3 .
C211 C212 H212 117.3 .
N3 C213 C214 123.0(9) .
N3 C213 H213 118.5 .
C214 C213 H213 118.5 .
C215 C214 C213 121.8(10) .
C215 C214 H214 119.1 .
C213 C214 H214 119.1 .
C214 C215 C216 115.8(9) .
C214 C215 C218 123.0(10) .
C216 C215 C218 121.2(10) .
C215 C216 C217 120.8(9) .
C215 C216 H216 119.6 .
C217 C216 H216 119.6 .
N3 C217 C216 123.4(9) .
N3 C217 H217 118.3 .
C216 C217 H217 118.3 .
C215 C218 C219 111.1(7) .
C215 C218 H21C 109.4 .
C219 C218 H21C 109.4 .
C215 C218 H21D 109.4 .
C219 C218 H21D 109.4 .
H21C C218 H21D 108.0 .
C225 C219 C218 112.3(8) 1_655
C225 C219 H21E 109.2 1_655
C218 C219 H21E 109.2 .
C225 C219 H21F 109.2 1_655
C218 C219 H21F 109.2 .
H21E C219 H21F 107.9 .
N4 C220 C221 123.6(9) .
N4 C220 H220 118.2 .
C221 C220 H220 118.2 .
C220 C221 C222 119.5(9) .
C220 C221 H221 120.3 .
C222 C221 H221 120.3 .
C223 C222 C221 117.0(8) .
C223 C222 C225 121.6(10) .
C221 C222 C225 121.1(9) .
C222 C223 C224 118.7(9) .
C222 C223 H223 120.6 .
C224 C223 H223 120.6 .
N4 C224 C223 123.9(9) .
N4 C224 H224 118.1 .
C223 C224 H224 118.1 .
C219 C225 C222 113.8(8) 1_455
C219 C225 H22C 108.8 1_455
C222 C225 H22C 108.8 .
C219 C225 H22D 108.8 1_455
C222 C225 H22D 108.8 .
H22C C225 H22D 107.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.327(7) .
Cd1 S2 2.488(2) .
Cd1 S1 2.498(2) .
Cd1 S3 2.532(3) .
Cd2 N2 2.321(7) .
Cd2 S16 2.480(2) .
Cd2 S14 2.504(3) .
Cd2 S9 2.543(3) .
Cd3 N3 2.311(7) .
Cd3 S11 2.481(3) .
Cd3 S4 2.492(3) .
Cd3 S10 2.550(2) .
Cd4 N4 2.361(6) .
Cd4 S7 2.489(3) .
Cd4 S15 2.501(2) .
Cd4 S12 2.527(2) .
Cd5 S9 2.545(2) .
Cd5 S6 2.549(2) .
Cd5 S3 2.551(3) .
Cd5 S8 2.558(2) .
Cd6 S5 2.547(2) .
Cd6 S10 2.550(2) .
Cd6 S12 2.568(2) .
Cd6 S13 2.586(2) .
Ag1 S4 2.567(2) .
Ag1 S6 2.568(2) .
Ag1 S5 2.593(2) .
Ag1 S1 2.602(2) .
Ag2 S7 2.564(2) .
Ag2 S2 2.586(2) .
Ag2 S8 2.589(2) .
Ag2 S5 2.602(2) .
Ag3 S14 2.570(2) .
Ag3 S11 2.574(3) .
Ag3 S13 2.589(2) .
Ag3 S6 2.591(2) .
Ag4 S13 2.563(2) .
Ag4 S8 2.590(2) .
Ag4 S16 2.597(2) .
Ag4 S15 2.612(2) .
S1 C11 1.760(9) .
S2 C21 1.770(9) .
S3 C31 1.674(12) .
S4 C41 1.767(9) .
S5 C51 1.807(8) .
S6 C61 1.774(8) .
S7 C71 1.786(10) .
S8 C81 1.787(9) .
S9 C91 1.736(11) .
S10 C101 1.791(10) .
S11 C311 1.767(14) .
S11 C111 1.84(3) .
S12 C121 1.789(9) .
S13 C131 1.779(9) .
S14 C141 1.764(13) .
S15 C151 1.776(10) .
S16 C161 1.778(11) .
N1 C200 1.299(10) .
N1 C204 1.329(10) .
N2 C212 1.312(11) .
N2 C207 1.35(4) .
N2 C307 1.41(3) .
N3 C213 1.327(11) .
N3 C217 1.341(10) .
N4 C224 1.304(11) .
N4 C220 1.338(10) .
C11 C16 1.374(11) .
C11 C12 1.393(11) .
C12 C13 1.407(12) .
C12 H12 0.9300 .
C13 C14 1.371(13) .
C13 H13 0.9300 .
C14 C15 1.396(13) .
C14 H14 0.9300 .
C15 C16 1.375(13) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C21 C22B 1.362(16) .
C21 C26B 1.391(16) .
C21 C22A 1.41(3) .
C21 C26A 1.41(3) .
C22A C23A 1.42(3) .
C22A H22A 0.9300 .
C23A C24A 1.38(3) .
C23A H23A 0.9300 .
C24A C25A 1.37(3) .
C24A H24A 0.9300 .
C25A C26A 1.43(3) .
C25A H25A 0.9300 .
C26A H26A 0.9300 .
C22B C23B 1.380(16) .
C22B H22B 0.9300 .
C23B C24B 1.369(16) .
C23B H23B 0.9300 .
C24B C25B 1.358(16) .
C24B H24B 0.9300 .
C25B C26B 1.387(16) .
C25B H25B 0.9300 .
C26B H26B 0.9300 .
C31 C36 1.323(16) .
C31 C32 1.386(15) .
C32 C33 1.472(19) .
C32 H32 0.9300 .
C33 C34 1.33(2) .
C33 H33 0.9300 .
C34 C35 1.24(2) .
C34 H34 0.9300 .
C35 C36 1.449(18) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C41 C46 1.358(13) .
C41 C42 1.398(13) .
C42 C43 1.372(14) .
C42 H42 0.9300 .
C43 C44 1.327(18) .
C43 H43 0.9300 .
C44 C45 1.336(17) .
C44 H44 0.9300 .
C45 C46 1.374(15) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C51 C56 1.364(11) .
C51 C52 1.377(10) .
C52 C53 1.384(11) .
C52 H52 0.9300 .
C53 C54 1.366(12) .
C53 H53 0.9300 .
C54 C55 1.389(12) .
C54 H54 0.9300 .
C55 C56 1.409(12) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C61 C62A 1.24(2) .
C61 C66 1.311(12) .
C61 C62B 1.50(2) .
C62A C63A 1.46(3) .
C62A H62A 0.9300 .
C63A C64A 1.42(5) .
C63A H63A 0.9300 .
C64A C65 1.28(5) .
C64A H64A 0.9300 .
C62B C63B 1.34(2) .
C62B H62B 0.9300 .
C63B C64B 1.30(4) .
C63B H63B 0.9300 .
C64B C65 1.34(4) .
C64B H64B 0.9300 .
C65 C66 1.393(12) .
C65 H65 0.9300 .
C66 H66 0.9300 .
C71 C76 1.385(13) .
C71 C72 1.402(13) .
C72 C73 1.369(14) .
C72 H72 0.9300 .
C73 C74 1.390(17) .
C73 H73 0.9300 .
C74 C75 1.38(2) .
C74 H74 0.9300 .
C75 C76 1.370(17) .
C75 H75 0.9300 .
C76 H76 0.9300 .
C81 C86B 1.32(5) .
C81 C82A 1.34(3) .
C81 C82B 1.39(5) .
C81 C86A 1.40(2) .
C82A C83A 1.39(3) .
C82A H82A 0.9300 .
C83A C84A 1.35(3) .
C83A H83A 0.9300 .
C84A C85A 1.39(3) .
C84A H84A 0.9300 .
C85A C86A 1.41(3) .
C85A H85A 0.9300 .
C86A H86A 0.9300 .
C82B C83B 1.38(6) .
C82B H82B 0.9300 .
C83B C84B 1.26(6) .
C83B H83B 0.9300 .
C84B C85B 1.16(6) .
C84B H84B 0.9300 .
C85B C86B 1.28(6) .
C85B H85B 0.9300 .
C86B H86B 0.9300 .
C91 C96 1.428(13) .
C91 C92 1.432(13) .
C92 C93 1.365(14) .
C92 H92 0.9300 .
C93 C94 1.400(16) .
C93 H93 0.9300 .
C94 C95 1.344(16) .
C94 H94 0.9300 .
C95 C96 1.377(14) .
C95 H95 0.9300 .
C96 H96 0.9300 .
C101 C102 1.336(12) .
C101 C106 1.360(12) .
C102 C103 1.402(14) .
C102 H102 0.9300 .
C103 C104 1.386(16) .
C103 H103 0.9300 .
C104 C105 1.345(16) .
C104 H104 0.9300 .
C105 C106 1.357(14) .
C105 H105 0.9300 .
C106 H106 0.9300 .
C111 C116 1.356(13) .
C111 C112 1.365(16) .
C112 C113 1.383(17) .
C112 H112 0.9300 .
C113 C114 1.400(19) .
C113 H113 0.9300 .
C114 C115 1.371(17) .
C114 H114 0.9300 .
C311 C116 1.291(18) .
C311 C312 1.410(16) .
C312 C313 1.345(14) .
C312 H312 0.9300 .
C313 C314 1.362(16) .
C313 H313 0.9300 .
C314 C115 1.374(15) .
C314 H314 0.9300 .
C115 C116 1.405(10) .
C115 H115 0.9300 .
C116 H116 0.9300 .
C121 C126 1.383(11) .
C121 C122 1.407(11) .
C122 C123 1.410(13) .
C122 H122 0.9300 .
C123 C124 1.372(14) .
C123 H123 0.9300 .
C124 C125 1.341(13) .
C124 H124 0.9300 .
C125 C126 1.392(12) .
C125 H125 0.9300 .
C126 H126 0.9300 .
C131 C132 1.34(3) .
C131 C236 1.37(3) .
C131 C232 1.40(5) .
C131 C136 1.43(2) .
C132 C133 1.31(3) .
C132 H132 0.9300 .
C133 C134 1.33(4) .
C133 H133 0.9300 .
C134 C135 1.34(4) .
C134 H134 0.9300 .
C135 C136 1.41(3) .
C135 H135 0.9300 .
C136 H136 0.9300 .
C232 C233 1.39(6) .
C232 H232 0.9300 .
C233 C234 1.24(7) .
C233 H233 0.9300 .
C234 C235 1.47(6) .
C234 H234 0.9300 .
C235 C236 1.31(4) .
C235 H235 0.9300 .
C236 H236 0.9300 .
C141 C146 1.270(17) .
C141 C142 1.365(17) .
C142 C143 1.42(2) .
C142 H142 0.9300 .
C143 C144 1.51(2) .
C143 H143 0.9300 .
C144 C145 1.20(2) .
C144 H144 0.9300 .
C145 C146 1.373(18) .
C145 H145 0.9300 .
C146 H146 0.9300 .
C151 C156 1.359(13) .
C151 C152 1.364(13) .
C152 C153 1.422(15) .
C152 H152 0.9300 .
C153 C154 1.329(17) .
C153 H153 0.9300 .
C154 C155 1.386(17) .
C154 H154 0.9300 .
C155 C156 1.405(14) .
C155 H155 0.9300 .
C156 H156 0.9300 .
C161 C162 1.301(14) .
C161 C166 1.394(16) .
C162 C163 1.432(18) .
C162 H162 0.9300 .
C163 C164 1.25(2) .
C163 H163 0.9300 .
C164 C165 1.37(2) .
C164 H164 0.9300 .
C165 C166 1.372(18) .
C165 H165 0.9300 .
C166 H166 0.9300 .
C200 C201 1.393(11) .
C200 H200 0.9300 .
C201 C202 1.380(12) .
C201 H201 0.9300 .
C202 C203 1.384(12) .
C202 C205 1.499(11) .
C203 C204 1.382(12) .
C203 H203 0.9300 .
C204 H204 0.9300 .
C205 C206 1.525(11) .
C205 H20A 0.9700 .
C205 H20B 0.9700 .
C206 C210 1.493(12) 4_545
C206 H20C 0.9700 .
C206 H20D 0.9700 .
C207 C208 1.33(4) .
C207 H207 0.9300 .
C208 C209 1.51(3) .
C208 H208 0.9300 .
C307 C308 1.40(3) .
C307 H307 0.9300 .
C308 C209 1.44(3) .
C308 H308 0.9300 .
C209 C211 1.340(12) .
C209 C210 1.505(12) .
C210 H21A 0.9700 .
C210 H21B 0.9700 .
C211 C212 1.354(12) .
C211 H211 0.9300 .
C212 H212 0.9300 .
C213 C214 1.387(12) .
C213 H213 0.9300 .
C214 C215 1.338(12) .
C214 H214 0.9300 .
C215 C216 1.362(12) .
C215 C218 1.493(12) .
C216 C217 1.381(12) .
C216 H216 0.9300 .
C217 H217 0.9300 .
C218 C219 1.543(10) .
C218 H21C 0.9700 .
C218 H21D 0.9700 .
C219 C225 1.483(11) 1_655
C219 H21E 0.9700 .
C219 H21F 0.9700 .
C220 C221 1.354(11) .
C220 H220 0.9300 .
C221 C222 1.404(12) .
C221 H221 0.9300 .
C222 C223 1.371(12) .
C222 C225 1.510(11) .
C223 C224 1.395(11) .
C223 H223 0.9300 .
C224 H224 0.9300 .
C225 H22C 0.9700 .
C225 H22D 0.9700 .
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_4
Cd1 S1 C11 C16 -161.6(6) .
Ag1 S1 C11 C16 82.7(7) .
Cd1 S1 C11 C12 16.6(8) .
Ag1 S1 C11 C12 -99.1(7) .
C16 C11 C12 C13 -2.0(13) .
S1 C11 C12 C13 179.8(7) .
C11 C12 C13 C14 0.4(14) .
C12 C13 C14 C15 0.9(15) .
C13 C14 C15 C16 -0.6(16) .
C12 C11 C16 C15 2.3(14) .
S1 C11 C16 C15 -179.4(8) .
C14 C15 C16 C11 -1.1(16) .
Cd1 S2 C21 C22B 6(5) .
Ag2 S2 C21 C22B -109(5) .
Cd1 S2 C21 C26B -171(3) .
Ag2 S2 C21 C26B 75(3) .
Cd1 S2 C21 C22A 4(3) .
Ag2 S2 C21 C22A -111(3) .
Cd1 S2 C21 C26A -176(3) .
Ag2 S2 C21 C26A 69(3) .
C26A C21 C22A C23A 1(7) .
S2 C21 C22A C23A -179(4) .
C21 C22A C23A C24A 3(7) .
C22A C23A C24A C25A -5(5) .
C23A C24A C25A C26A 3(5) .
C22A C21 C26A C25A -3(7) .
S2 C21 C26A C25A 177(3) .
C24A C25A C26A C21 1(6) .
C26B C21 C22B C23B 1(9) .
S2 C21 C22B C23B -175(4) .
C21 C22B C23B C24B 2(9) .
C22B C23B C24B C25B -5(8) .
C23B C24B C25B C26B 4(6) .
C24B C25B C26B C21 0(7) .
C22B C21 C26B C25B -2(8) .
S2 C21 C26B C25B 175(4) .
Cd1 S3 C31 C36 127.2(13) .
Cd5 S3 C31 C36 8.0(15) .
Cd1 S3 C31 C32 -52.8(11) .
Cd5 S3 C31 C32 -172.0(9) .
C36 C31 C32 C33 -2.2(14) .
S3 C31 C32 C33 177.8(10) .
C31 C32 C33 C34 3.5(18) .
C32 C33 C34 C35 0(3) .
C33 C34 C35 C36 -5(3) .
C32 C31 C36 C35 -2(2) .
S3 C31 C36 C35 177.8(14) .
C34 C35 C36 C31 6(3) .
Cd3 S4 C41 C46 112.9(10) .
Ag1 S4 C41 C46 6.7(12) .
Cd3 S4 C41 C42 -69.8(10) .
Ag1 S4 C41 C42 -176.0(8) .
C46 C41 C42 C43 -3.6(18) .
S4 C41 C42 C43 179.0(10) .
C41 C42 C43 C44 2(2) .
C42 C43 C44 C45 0(3) .
C43 C44 C45 C46 -2(3) .
C42 C41 C46 C45 2(2) .
S4 C41 C46 C45 179.6(12) .
C44 C45 C46 C41 1(3) .
Cd6 S5 C51 C56 114.7(7) .
Ag1 S5 C51 C56 -2.3(7) .
Ag2 S5 C51 C56 -125.8(6) .
Cd6 S5 C51 C52 -61.3(7) .
Ag1 S5 C51 C52 -178.4(6) .
Ag2 S5 C51 C52 58.2(7) .
C56 C51 C52 C53 2.0(13) .
S5 C51 C52 C53 178.0(7) .
C51 C52 C53 C54 0.5(14) .
C52 C53 C54 C55 -0.8(15) .
C53 C54 C55 C56 -1.3(15) .
C52 C51 C56 C55 -4.2(13) .
S5 C51 C56 C55 179.8(7) .
C54 C55 C56 C51 3.8(14) .
Cd5 S6 C61 C62A -82.1(15) .
Ag1 S6 C61 C62A 157.9(15) .
Ag3 S6 C61 C62A 40.2(16) .
Cd5 S6 C61 C66 71.8(10) .
Ag1 S6 C61 C66 -48.2(11) .
Ag3 S6 C61 C66 -165.8(9) .
Cd5 S6 C61 C62B -132.5(12) .
Ag1 S6 C61 C62B 107.5(12) .
Ag3 S6 C61 C62B -10.1(13) .
C66 C61 C62A C63A 15(3) .
S6 C61 C62A C63A 171.5(18) .
C61 C62A C63A C64A 0(4) .
C62A C63A C64A C65 -8(4) .
C66 C61 C62B C63B -20(3) .
S6 C61 C62B C63B -177.6(17) .
C61 C62B C63B C64B 5(4) .
C62B C63B C64B C65 6(5) .
C63A C64A C65 C66 1(4) .
C63B C64B C65 C66 -2(4) .
C62A C61 C66 C65 -22(2) .
C62B C61 C66 C65 25.0(19) .
S6 C61 C66 C65 -177.7(9) .
C64A C65 C66 C61 15(3) .
C64B C65 C66 C61 -16(2) .
Cd4 S7 C71 C76 124.9(8) .
Ag2 S7 C71 C76 -130.9(8) .
Cd4 S7 C71 C72 -58.2(9) .
Ag2 S7 C71 C72 46.1(9) .
C76 C71 C72 C73 -1.4(17) .
S7 C71 C72 C73 -178.3(9) .
C71 C72 C73 C74 -0.4(18) .
C72 C73 C74 C75 0(2) .
C73 C74 C75 C76 1(3) .
C74 C75 C76 C71 -3(2) .
C72 C71 C76 C75 3.1(18) .
S7 C71 C76 C75 -179.9(11) .
Cd5 S8 C81 C86B -96(3) .
Ag2 S8 C81 C86B 21(3) .
Ag4 S8 C81 C86B 146(3) .
Cd5 S8 C81 C82A 95.9(16) .
Ag2 S8 C81 C82A -147.0(16) .
Ag4 S8 C81 C82A -21.9(17) .
Cd5 S8 C81 C82B 125(3) .
Ag2 S8 C81 C82B -118(3) .
Ag4 S8 C81 C82B 7(3) .
Cd5 S8 C81 C86A -67.8(15) .
Ag2 S8 C81 C86A 49.2(15) .
Ag4 S8 C81 C86A 174.4(14) .
C86A C81 C82A C83A -13(3) .
S8 C81 C82A C83A -176.6(14) .
C81 C82A C83A C84A 6(3) .
C82A C83A C84A C85A 1(3) .
C83A C84A C85A C86A 0(3) .
C82A C81 C86A C85A 14(3) .
S8 C81 C86A C85A 177.9(14) .
C84A C85A C86A C81 -7(3) .
C86B C81 C82B C83B 25(5) .
S8 C81 C82B C83B 172(3) .
C81 C82B C83B C84B -15(6) .
C82B C83B C84B C85B -2(7) .
C83B C84B C85B C86B 1(7) .
C84B C85B C86B C81 18(7) .
C82B C81 C86B C85B -29(6) .
S8 C81 C86B C85B -177(4) .
Cd2 S9 C91 C96 108.2(15) .
Cd5 S9 C91 C96 -134.5(14) .
Cd2 S9 C91 C92 -75.5(19) .
Cd5 S9 C91 C92 42(2) .
C96 C91 C92 C93 -3(3) .
S9 C91 C92 C93 -179(2) .
C91 C92 C93 C94 1(5) .
C92 C93 C94 C95 13(5) .
C93 C94 C95 C96 -26(5) .
C94 C95 C96 C91 26(4) .
C92 C91 C96 C95 -10(3) .
S9 C91 C96 C95 167.3(19) .
Cd3 S10 C101 C102 82.2(9) .
Cd6 S10 C101 C102 -29.7(9) .
Cd3 S10 C101 C106 -101.2(8) .
Cd6 S10 C101 C106 147.0(7) .
C106 C101 C102 C103 1.1(16) .
S10 C101 C102 C103 177.7(9) .
C101 C102 C103 C104 1.5(18) .
C102 C103 C104 C105 -3(2) .
C103 C104 C105 C106 1(2) .
C104 C105 C106 C101 1.2(18) .
C102 C101 C106 C105 -2.5(16) .
S10 C101 C106 C105 -179.3(9) .
Cd3 S11 C111 C116 23(5) .
Ag3 S11 C111 C116 127(4) .
Cd3 S11 C111 C112 -179(4) .
Ag3 S11 C111 C112 -75(5) .
C116 C111 C112 C113 -3(9) .
S11 C111 C112 C113 -160(4) .
C111 C112 C113 C114 -22(8) .
C112 C113 C114 C115 41(6) .
Cd3 S11 C311 C116 -23(2) .
Ag3 S11 C311 C116 88.4(19) .
Cd3 S11 C311 C312 140.2(15) .
Ag3 S11 C311 C312 -108.8(16) .
C116 C311 C312 C313 -16(3) .
S11 C311 C312 C313 179(2) .
C311 C312 C313 C314 0(4) .
C312 C313 C314 C115 7(5) .
C113 C114 C115 C116 -37(5) .
C313 C314 C115 C116 0(4) .
C312 C311 C116 C115 25(3) .
S11 C311 C116 C115 -173.4(15) .
C112 C111 C116 C115 7(7) .
S11 C111 C116 C115 164(2) .
C314 C115 C116 C311 -17(3) .
C114 C115 C116 C111 13(5) .
Cd4 S12 C121 C126 14.4(9) .
Cd6 S12 C121 C126 126.6(7) .
Cd4 S12 C121 C122 -167.6(6) .
Cd6 S12 C121 C122 -55.4(8) .
C126 C121 C122 C123 0.7(14) .
S12 C121 C122 C123 -177.4(8) .
C121 C122 C123 C124 0.4(16) .
C122 C123 C124 C125 -1.1(18) .
C123 C124 C125 C126 0.8(17) .
C122 C121 C126 C125 -1.0(14) .
S12 C121 C126 C125 176.9(7) .
C124 C125 C126 C121 0.3(15) .
Ag4 S13 C131 C132 141.9(15) .
Cd6 S13 C131 C132 -98.5(15) .
Ag3 S13 C131 C132 21.9(15) .
Ag4 S13 C131 C236 -51(2) .
Cd6 S13 C131 C236 69(2) .
Ag3 S13 C131 C236 -171(2) .
Ag4 S13 C131 C232 173(2) .
Cd6 S13 C131 C232 -67(2) .
Ag3 S13 C131 C232 53(2) .
Ag4 S13 C131 C136 -8.5(13) .
Cd6 S13 C131 C136 111.2(13) .
Ag3 S13 C131 C136 -128.5(13) .
C136 C131 C132 C133 -27(3) .
S13 C131 C132 C133 -179.1(16) .
C131 C132 C133 C134 15(3) .
C132 C133 C134 C135 6(4) .
C133 C134 C135 C136 -10(4) .
C134 C135 C136 C131 -4(3) .
C132 C131 C136 C135 21(3) .
S13 C131 C136 C135 174.5(14) .
C236 C131 C232 C233 37(4) .
S13 C131 C232 C233 178(2) .
C131 C232 C233 C234 -10(6) .
C232 C233 C234 C235 -15(6) .
C233 C234 C235 C236 10(6) .
C234 C235 C236 C131 21(6) .
C232 C131 C236 C235 -42(4) .
S13 C131 C236 C235 175(3) .
Cd2 S14 C141 C146 -131.8(13) .
Ag3 S14 C141 C146 -16.7(15) .
Cd2 S14 C141 C142 59.6(10) .
Ag3 S14 C141 C142 174.8(9) .
C146 C141 C142 C143 4.0(17) .
S14 C141 C142 C143 173.5(12) .
C141 C142 C143 C144 4.1(17) .
C142 C143 C144 C145 -12(3) .
C143 C144 C145 C146 11(4) .
C142 C141 C146 C145 -6(3) .
S14 C141 C146 C145 -174.9(15) .
C144 C145 C146 C141 -2(4) .
Cd4 S15 C151 C156 -5.4(9) .
Ag4 S15 C151 C156 110.1(8) .
Cd4 S15 C151 C152 171.4(7) .
Ag4 S15 C151 C152 -73.2(8) .
C156 C151 C152 C153 0.7(16) .
S15 C151 C152 C153 -176.1(8) .
C151 C152 C153 C154 -1(2) .
C152 C153 C154 C155 0(2) .
C153 C154 C155 C156 1(2) .
C152 C151 C156 C155 0.1(17) .
S15 C151 C156 C155 176.7(9) .
C154 C155 C156 C151 -0.9(19) .
Cd2 S16 C161 C162 -140.7(11) .
Ag4 S16 C161 C162 118.8(11) .
Cd2 S16 C161 C166 38.0(14) .
Ag4 S16 C161 C166 -62.4(13) .
C166 C161 C162 C163 1(2) .
S16 C161 C162 C163 179.5(13) .
C161 C162 C163 C164 -2(3) .
C162 C163 C164 C165 -5(4) .
C163 C164 C165 C166 13(4) .
C164 C165 C166 C161 -15(3) .
C162 C161 C166 C165 8(3) .
S16 C161 C166 C165 -171.1(16) .
C204 N1 C200 C201 0.1(13) .
Cd1 N1 C200 C201 171.0(6) .
N1 C200 C201 C202 -1.2(13) .
C200 C201 C202 C203 1.0(12) .
C200 C201 C202 C205 -175.0(8) .
C201 C202 C203 C204 0.2(13) .
C205 C202 C203 C204 176.3(8) .
C200 N1 C204 C203 1.1(13) .
Cd1 N1 C204 C203 -169.0(7) .
C202 C203 C204 N1 -1.3(14) .
C201 C202 C205 C206 98.0(10) .
C203 C202 C205 C206 -77.9(11) .
C202 C205 C206 C210 -67.1(11) 4_545
C212 N2 C207 C208 17(3) .
Cd2 N2 C207 C208 -172(2) .
N2 C207 C208 C209 -2(4) .
C212 N2 C307 C308 -13(3) .
Cd2 N2 C307 C308 -171(2) .
N2 C307 C308 C209 -7(3) .
C307 C308 C209 C211 24(3) .
C307 C308 C209 C210 -172.2(17) .
C207 C208 C209 C211 -15(3) .
C207 C208 C209 C210 -174(2) .
C211 C209 C210 C206 165.5(10) 4
C308 C209 C210 C206 3(2) 4
C208 C209 C210 C206 -37(2) 4
C308 C209 C211 C212 -22(2) .
C210 C209 C211 C212 174.9(11) .
C208 C209 C211 C212 16(2) .
C207 N2 C212 C211 -16.7(19) .
C307 N2 C212 C211 18(2) .
Cd2 N2 C212 C211 172.9(8) .
C209 C211 C212 N2 -0.7(18) .
C217 N3 C213 C214 -1.7(14) .
Cd3 N3 C213 C214 -170.9(7) .
N3 C213 C214 C215 -0.8(16) .
C213 C214 C215 C216 2.1(14) .
C213 C214 C215 C218 -178.6(8) .
C214 C215 C216 C217 -0.9(14) .
C218 C215 C216 C217 179.8(8) .
C213 N3 C217 C216 3.0(13) .
Cd3 N3 C217 C216 172.2(7) .
C215 C216 C217 N3 -1.7(15) .
C214 C215 C218 C219 106.5(11) .
C216 C215 C218 C219 -74.2(11) .
C215 C218 C219 C225 -58.2(11) 1_655
C224 N4 C220 C221 -5.4(14) .
Cd4 N4 C220 C221 157.1(7) .
N4 C220 C221 C222 0.3(15) .
C220 C221 C222 C223 1.9(14) .
C220 C221 C222 C225 -171.6(9) .
C221 C222 C223 C224 0.8(14) .
C225 C222 C223 C224 174.3(9) .
C220 N4 C224 C223 8.4(15) .
Cd4 N4 C224 C223 -153.3(8) .
C222 C223 C224 N4 -6.3(16) .
C223 C222 C225 C219 92.1(11) 1_455
C221 C222 C225 C219 -94.7(11) 1_455
