# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_c2c_S
_database_code_depnum_ccdc_archive 'CCDC 1894746'
loop_
_audit_author_name
_audit_author_address
'Hua-Tian Shi'
;Anhui University of Technology
China
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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                   20.1772(3)
_cell_length_b                   25.6535(4)
_cell_length_c                   53.9920(9)
_cell_angle_alpha                90
_cell_angle_beta                 98.1050(10)
_cell_angle_gamma                90
_cell_volume                     27668.0(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9991
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      20.74

_exptl_crystal_description       flake
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_F_000             14080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.751
_shelx_estimated_absorpt_T_min   0.669
_shelx_estimated_absorpt_T_max   0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_T_max  0.721
_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_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            113413
_diffrn_reflns_av_unetI/netI     0.0814
_diffrn_reflns_av_R_equivalents  0.0811
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_theta_min         1.524
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             24361
_reflns_number_gt                12574
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0779P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24361
_refine_ls_number_parameters     1591
_refine_ls_number_restraints     1986
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0610
_refine_ls_wR_factor_ref         0.1698
_refine_ls_wR_factor_gt          0.1486
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      0.992
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 . . .


_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
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_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 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_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
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 ?

_refine_diff_density_max         1.517
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.118



####################################################################### 
# 
# 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_P-1_S
_database_code_depnum_ccdc_archive 'CCDC 1894748'
loop_
_audit_author_name
_audit_author_address
'Hua-Tian Shi'
;Anhui University of Technology
China
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C106 H105 Ag4 Cd6 N3 O4 S16, C3 H7 N1 O1'
_chemical_formula_sum            'C109 H112 Ag4 Cd6 N4 O5 S16'
_chemical_formula_weight         3176.86

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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.0418(3)
_cell_length_b                   17.8011(3)
_cell_length_c                   20.4041(3)
_cell_angle_alpha                92.7800(10)
_cell_angle_beta                 91.3500(10)
_cell_angle_gamma                101.3720(10)
_cell_volume                     6057.71(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9596
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      24.74

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_F_000             3132
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.987
_shelx_estimated_absorpt_T_min   0.636
_shelx_estimated_absorpt_T_max   0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.637
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.921.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            95239
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.496
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             21305
_reflns_number_gt                15844
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0419P)²+9.4443P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21305
_refine_ls_number_parameters     1323
_refine_ls_number_restraints     1375
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.1006
_refine_ls_wR_factor_gt          0.0896
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ag1 Ag 0.27789(2) 0.86058(2) 0.85993(2) 0.06706(11) Uani 1 1 d . U . . .
Ag2 Ag 0.20370(2) 0.92847(2) 0.67272(2) 0.05837(10) Uani 1 1 d . U . . .
Cd5 Cd 0.10485(3) 0.70064(2) 0.73728(2) 0.06978(11) Uani 1 1 d . U . . .
Cd6 Cd 0.43895(2) 0.87138(2) 0.69530(2) 0.06225(10) Uani 1 1 d . U . . .
Ag3 Ag 0.34121(3) 0.65651(2) 0.76846(2) 0.06887(12) Uani 1 1 d . U . . .
Ag4 Ag 0.25306(2) 0.72212(2) 0.57843(2) 0.06123(11) Uani 1 1 d . U . . .
Cd3 Cd 0.46235(2) 0.67225(2) 0.60787(2) 0.07006(12) Uani 1 1 d . U . . .
Cd1 Cd 0.04251(2) 0.77830(2) 0.57297(2) 0.07010(12) Uani 1 1 d . U . . .
Cd4 Cd 0.19250(3) 0.65585(3) 0.91406(2) 0.08540(14) Uani 1 1 d . U . . .
Cd2 Cd 0.38152(2) 1.05635(2) 0.77495(2) 0.06292(11) Uani 1 1 d . U . . .
S1 S -0.01964(9) 0.71596(8) 0.67202(7) 0.0680(3) Uani 1 1 d . U . . .
S2 S 0.11849(8) 0.69366(7) 0.51262(6) 0.0602(3) Uani 1 1 d . U . . .
S3 S 0.09561(8) 0.92069(8) 0.58215(6) 0.0636(3) Uani 1 1 d . U . . .
S4 S 0.07365(10) 0.61876(9) 0.83719(8) 0.0837(4) Uani 1 1 d . U . . .
S5 S 0.22161(7) 0.65129(7) 0.68591(6) 0.0533(3) Uani 1 1 d . U . . .
S6 S 0.16648(6) 0.84412(6) 0.76975(5) 0.0472(3) Uani 1 1 d . U . . .
S7 S 0.35090(8) 0.64839(7) 0.52367(6) 0.0596(3) Uani 1 1 d . U . . .
S8 S 0.31003(6) 0.86109(6) 0.62121(5) 0.0431(2) Uani 1 1 d . U . . .
S9 S 0.27964(8) 1.06809(8) 0.68800(7) 0.0650(3) Uani 1 1 d . U . . .
S10 S 0.49219(7) 1.01623(7) 0.71260(6) 0.0546(3) Uani 1 1 d . U . . .
S11 S 0.53525(8) 0.80741(8) 0.62788(7) 0.0629(3) Uani 1 1 d . U . . .
S12 S 0.35172(8) 1.00221(7) 0.88328(6) 0.0596(3) Uani 1 1 d . U . . .
S13 S 0.38611(7) 0.80073(7) 0.79842(6) 0.0530(3) Uani 1 1 d . U . . .
S14 S 0.42210(8) 0.58118(9) 0.69652(7) 0.0702(4) Uani 1 1 d . U . . .
S15 S 0.24684(8) 0.78599(9) 0.96356(7) 0.0703(4) Uani 1 1 d . U . . .
O1 O -0.0717(2) 0.7827(3) 0.5138(2) 0.0909(12) Uani 1 1 d . U . . .
O2 O 0.4430(2) 1.1808(2) 0.80977(19) 0.0805(11) Uani 1 1 d . U . . .
O3 O 0.5551(3) 0.6220(3) 0.5481(2) 0.1011(14) Uani 1 1 d . U . . .
O4 O 0.1533(4) 0.5809(3) 1.0006(3) 0.1261(17) Uani 1 1 d . U . . .
H4O H 0.161131 0.602907 1.043086 0.151 Uiso 1 1 calc R U . . .
N1 N -0.1797(3) 0.8352(3) 0.5075(3) 0.0954(16) Uani 1 1 d . U . . .
N2 N 0.5432(4) 1.2558(4) 0.8680(4) 0.134(2) Uani 1 1 d . U . . .
N3 N 0.6226(4) 0.6229(4) 0.4565(3) 0.1116(19) Uani 1 1 d . U . . .
C1 C -0.1257(4) 0.8092(4) 0.5389(4) 0.101(2) Uani 1 1 d . U . . .
H1 H -0.127631 0.810429 0.584442 0.121 Uiso 1 1 calc R U . . .
C2 C -0.1756(6) 0.8410(8) 0.4390(5) 0.215(6) Uani 1 1 d . U . . .
H2A H -0.122419 0.838809 0.425676 0.323 Uiso 1 1 calc R U . . .
H2B H -0.188481 0.888879 0.427339 0.323 Uiso 1 1 calc R U . . .
H2C H -0.213088 0.799360 0.417372 0.323 Uiso 1 1 calc R U . . .
C3 C -0.2406(6) 0.8682(8) 0.5378(8) 0.259(7) Uani 1 1 d . U . . .
H3A H -0.289917 0.831113 0.535992 0.388 Uiso 1 1 calc R U . . .
H3B H -0.247796 0.912355 0.514894 0.388 Uiso 1 1 calc R U . . .
H3C H -0.224965 0.883338 0.582737 0.388 Uiso 1 1 calc R U . . .
C4 C 0.5006(4) 1.1923(4) 0.8474(3) 0.096(2) Uani 1 1 d . U . . .
H4 H 0.515318 1.148739 0.863243 0.115 Uiso 1 1 calc R U . . .
C5 C 0.5214(11) 1.3236(6) 0.8450(8) 0.310(11) Uani 1 1 d . U . . .
H5A H 0.568266 1.357367 0.830820 0.465 Uiso 1 1 calc R U . . .
H5B H 0.497938 1.348884 0.879797 0.465 Uiso 1 1 calc R U . . .
H5C H 0.483372 1.309995 0.808797 0.465 Uiso 1 1 calc R U . . .
C6 C 0.6142(7) 1.2658(8) 0.9108(6) 0.241(7) Uani 1 1 d . U . . .
H6A H 0.632701 1.218306 0.911659 0.362 Uiso 1 1 calc R U . . .
H6B H 0.601502 1.281201 0.954370 0.362 Uiso 1 1 calc R U . . .
H6C H 0.655428 1.304657 0.894590 0.362 Uiso 1 1 calc R U . . .
C7 C 0.5814(5) 0.6533(5) 0.4960(5) 0.128(3) Uani 1 1 d . U . . .
H7 H 0.569547 0.700558 0.486964 0.154 Uiso 1 1 calc R U . . .
C8 C 0.6475(8) 0.6548(8) 0.3922(6) 0.258(8) Uani 1 1 d . U . . .
H8A H 0.619606 0.695278 0.383254 0.387 Uiso 1 1 calc R U . . .
H8B H 0.634707 0.614914 0.358033 0.387 Uiso 1 1 calc R U . . .
H8C H 0.704140 0.674728 0.393954 0.387 Uiso 1 1 calc R U . . .
C9 C 0.6358(7) 0.5505(6) 0.4607(5) 0.178(4) Uani 1 1 d . U . . .
H9A H 0.602883 0.525060 0.493737 0.268 Uiso 1 1 calc R U . . .
H9B H 0.691154 0.552622 0.472207 0.268 Uiso 1 1 calc R U . . .
H9C H 0.622689 0.522743 0.419114 0.268 Uiso 1 1 calc R U . . .
C10 C 0.1213(8) 0.5102(7) 0.9920(7) 0.233(7) Uani 1 1 d . U . . .
H10A H 0.064822 0.503419 0.998547 0.350 Uiso 1 1 calc R U . . .
H10B H 0.144787 0.481323 1.022924 0.350 Uiso 1 1 calc R U . . .
H10C H 0.130227 0.492423 0.948174 0.350 Uiso 1 1 calc R U . . .
C11 C -0.0719(3) 0.6267(3) 0.6357(2) 0.0661(13) Uani 1 1 d . U . . .
C12 C -0.0771(5) 0.5013(4) 0.5848(4) 0.124(3) Uani 1 1 d . U . . .
H12 H -0.050716 0.463094 0.569781 0.149 Uiso 1 1 calc R U . . .
C13 C -0.1577(6) 0.4905(5) 0.5783(4) 0.130(3) Uani 1 1 d . U . . .
H13 H -0.186646 0.444482 0.559375 0.156 Uiso 1 1 calc R U . . .
C14 C -0.1955(5) 0.5445(6) 0.5985(4) 0.130(3) Uani 1 1 d . U . . .
H14 H -0.251009 0.536205 0.593951 0.157 Uiso 1 1 calc R U . . .
C15 C -0.1534(4) 0.6140(4) 0.6268(3) 0.102(2) Uani 1 1 d . U . . .
H15 H -0.180912 0.652158 0.639636 0.122 Uiso 1 1 calc R U . . .
C16 C -0.0339(4) 0.5693(3) 0.6138(3) 0.0937(19) Uani 1 1 d . U . . .
H16 H 0.021525 0.576342 0.618484 0.112 Uiso 1 1 calc R U . . .
C21 C 0.1301(3) 0.7250(3) 0.4313(2) 0.0634(12) Uani 1 1 d . U . . .
C22 C 0.0675(4) 0.7444(4) 0.3976(3) 0.0966(19) Uani 1 1 d . U . . .
H22 H 0.018958 0.743953 0.417657 0.116 Uiso 1 1 calc R U . . .
C23 C 0.0773(6) 0.7648(5) 0.3328(4) 0.135(3) Uani 1 1 d . U . . .
H23 H 0.034695 0.778000 0.309732 0.162 Uiso 1 1 calc R U . . .
C24 C 0.1467(7) 0.7659(5) 0.3028(4) 0.139(3) Uani 1 1 d . U . . .
H24 H 0.152388 0.780168 0.259625 0.166 Uiso 1 1 calc R U . . .
C25 C 0.2076(5) 0.7463(5) 0.3360(3) 0.124(3) Uani 1 1 d . U . . .
H25 H 0.255795 0.746669 0.315390 0.149 Uiso 1 1 calc R U . . .
C26 C 0.2002(4) 0.7254(4) 0.4001(3) 0.0910(18) Uani 1 1 d . U . . .
H26 H 0.243104 0.711540 0.422145 0.109 Uiso 1 1 calc R U . . .
C31 C 0.0144(3) 0.9555(3) 0.6184(2) 0.0571(11) Uani 1 1 d . U . . .
C32 C -0.0159(4) 1.0127(3) 0.5878(3) 0.0773(15) Uani 1 1 d . U . . .
H32 H 0.006493 1.032407 0.549584 0.093 Uiso 1 1 calc R U . . .
C33 C -0.0793(4) 1.0400(4) 0.6146(4) 0.104(2) Uani 1 1 d . U . . .
H33 H -0.099627 1.077920 0.593982 0.125 Uiso 1 1 calc R U . . .
C34 C -0.1123(4) 1.0124(5) 0.6704(4) 0.105(2) Uani 1 1 d . U . . .
H34 H -0.155334 1.030915 0.687369 0.126 Uiso 1 1 calc R U . . .
C35 C -0.0829(4) 0.9577(4) 0.7017(3) 0.0869(17) Uani 1 1 d . U . . .
H35 H -0.105003 0.939729 0.740553 0.104 Uiso 1 1 calc R U . . .
C36 C -0.0194(3) 0.9287(3) 0.6753(3) 0.0679(13) Uani 1 1 d . U . . .
H36 H 0.000218 0.890793 0.696489 0.081 Uiso 1 1 calc R U . . .
C41 C -0.0125(4) 0.6419(3) 0.8728(3) 0.0780(14) Uani 1 1 d . U . . .
C42 C -0.0830(4) 0.6318(4) 0.8339(4) 0.104(2) Uani 1 1 d . U . . .
H42 H -0.083375 0.614001 0.790308 0.125 Uiso 1 1 calc R U . . .
C43 C -0.1519(5) 0.6484(5) 0.8603(5) 0.124(3) Uani 1 1 d . U . . .
H43 H -0.198279 0.641953 0.834024 0.149 Uiso 1 1 calc R U . . .
C44 C -0.0843(5) 0.6853(5) 0.9624(5) 0.121(2) Uani 1 1 d . U . . .
H44 H -0.084256 0.704292 1.005681 0.146 Uiso 1 1 calc R U . . .
C45 C -0.0139(4) 0.6687(4) 0.9376(4) 0.0975(19) Uani 1 1 d . U . . .
H45 H 0.032083 0.675654 0.964415 0.117 Uiso 1 1 calc R U . . .
C46 C -0.1531(5) 0.6744(5) 0.9252(6) 0.132(3) Uani 1 1 d . U . . .
H46 H -0.200048 0.684187 0.943006 0.158 Uiso 1 1 calc R U . . .
C51 C 0.1859(3) 0.5507(3) 0.6669(3) 0.0598(12) Uani 1 1 d . U . . .
C52 C 0.1705(4) 0.5223(3) 0.6050(3) 0.0847(17) Uani 1 1 d . U . . .
H52 H 0.179330 0.555092 0.570718 0.102 Uiso 1 1 calc R U . . .
C53 C 0.1413(5) 0.4442(4) 0.5912(4) 0.116(2) Uani 1 1 d . U . . .
H53 H 0.128701 0.425406 0.548146 0.140 Uiso 1 1 calc R U . . .
C54 C 0.1316(5) 0.3961(4) 0.6407(6) 0.132(3) Uani 1 1 d . U . . .
H54 H 0.114867 0.343541 0.631878 0.158 Uiso 1 1 calc R U . . .
C55 C 0.1462(6) 0.4250(4) 0.7032(5) 0.150(3) Uani 1 1 d . U . . .
H55 H 0.136247 0.392064 0.737427 0.180 Uiso 1 1 calc R U . . .
C56 C 0.1757(5) 0.5022(4) 0.7176(4) 0.119(3) Uani 1 1 d . U . . .
H56 H 0.188341 0.520939 0.760710 0.143 Uiso 1 1 calc R U . . .
C61 C 0.0936(2) 0.8849(2) 0.81311(19) 0.0436(9) Uani 1 1 d . U . . .
C62 C 0.0202(3) 0.8411(3) 0.8267(2) 0.0538(11) Uani 1 1 d . U . . .
H62 H 0.007443 0.789482 0.812835 0.065 Uiso 1 1 calc R U . . .
C63 C -0.0345(3) 0.8745(3) 0.8610(2) 0.0680(14) Uani 1 1 d . U . . .
H63 H -0.083959 0.845065 0.870278 0.082 Uiso 1 1 calc R U . . .
C64 C -0.0160(3) 0.9506(3) 0.8813(3) 0.0730(15) Uani 1 1 d . U . . .
H64 H -0.053160 0.972875 0.903900 0.088 Uiso 1 1 calc R U . . .
C65 C 0.0574(3) 0.9938(3) 0.8683(3) 0.0713(14) Uani 1 1 d . U . . .
H65 H 0.070230 1.045197 0.882834 0.086 Uiso 1 1 calc R U . . .
C66 C 0.1121(3) 0.9616(3) 0.8340(2) 0.0538(11) Uani 1 1 d . U . . .
H66 H 0.161443 0.991346 0.824904 0.065 Uiso 1 1 calc R U . . .
C71 C 0.3986(3) 0.6958(3) 0.4561(2) 0.0622(12) Uani 1 1 d . U . . .
C72 C 0.4069(5) 0.6520(4) 0.4005(3) 0.111(3) Uani 1 1 d . U . . .
H72 H 0.389258 0.599078 0.399078 0.134 Uiso 1 1 calc R U . . .
C73 C 0.4420(6) 0.6875(5) 0.3463(4) 0.151(4) Uani 1 1 d . U . . .
H73 H 0.446245 0.657792 0.308293 0.181 Uiso 1 1 calc R U . . .
C74 C 0.4704(6) 0.7647(5) 0.3474(4) 0.127(3) Uani 1 1 d . U . . .
H74 H 0.495670 0.787296 0.311258 0.153 Uiso 1 1 calc R U . . .
C75 C 0.4611(4) 0.8082(4) 0.4025(3) 0.098(2) Uani 1 1 d . U . . .
H75 H 0.478907 0.861104 0.403720 0.118 Uiso 1 1 calc R U . . .
C76 C 0.4253(3) 0.7740(3) 0.4568(3) 0.0712(14) Uani 1 1 d . U . . .
H76 H 0.419118 0.804248 0.494023 0.085 Uiso 1 1 calc R U . . .
C81 C 0.3284(2) 0.9146(2) 0.5490(2) 0.0451(9) Uani 1 1 d . U . . .
C82 C 0.2804(3) 0.8935(3) 0.4935(2) 0.0646(13) Uani 1 1 d . U . . .
H82 H 0.237710 0.851904 0.494070 0.078 Uiso 1 1 calc R U . . .
C83 C 0.2943(4) 0.9329(3) 0.4371(3) 0.0770(15) Uani 1 1 d . U . . .
H83 H 0.261476 0.917688 0.399865 0.092 Uiso 1 1 calc R U . . .
C84 C 0.3564(3) 0.9942(3) 0.4361(3) 0.0714(14) Uani 1 1 d . U . . .
H84 H 0.367221 1.020003 0.397763 0.086 Uiso 1 1 calc R U . . .
C85 C 0.4018(4) 1.0171(3) 0.4908(3) 0.0888(19) Uani 1 1 d . U . . .
H85 H 0.442655 1.060255 0.490597 0.107 Uiso 1 1 calc R U . . .
C86 C 0.3888(3) 0.9776(3) 0.5475(3) 0.0760(16) Uani 1 1 d . U . . .
H86 H 0.421284 0.993942 0.584793 0.091 Uiso 1 1 calc R U . . .
C91 C 0.2190(3) 1.1294(3) 0.7228(2) 0.0633(12) Uani 1 1 d . U . . .
C92 C 0.1371(3) 1.1042(3) 0.7279(3) 0.0714(14) Uani 1 1 d . U . . .
H92 H 0.113522 1.054200 0.713786 0.086 Uiso 1 1 calc R U . . .
C93 C 0.0904(4) 1.1527(4) 0.7538(3) 0.0904(18) Uani 1 1 d . U . . .
H93 H 0.035648 1.134907 0.757204 0.108 Uiso 1 1 calc R U . . .
C94 C 0.1230(5) 1.2247(4) 0.7741(4) 0.108(2) Uani 1 1 d . U . . .
H94 H 0.091014 1.256758 0.791924 0.129 Uiso 1 1 calc R U . . .
C95 C 0.2039(5) 1.2515(4) 0.7687(4) 0.116(2) Uani 1 1 d . U . . .
H95 H 0.226111 1.302203 0.781740 0.139 Uiso 1 1 calc R U . . .
C96 C 0.2538(4) 1.2026(3) 0.7435(3) 0.0913(18) Uani 1 1 d . U . . .
H96 H 0.308786 1.220089 0.741082 0.110 Uiso 1 1 calc R U . . .
C101 C 0.5720(3) 1.0354(3) 0.7720(2) 0.0544(11) Uani 1 1 d . U . . .
C102 C 0.6419(3) 1.0840(4) 0.7581(3) 0.0899(19) Uani 1 1 d . U . . .
H102 H 0.647055 1.106744 0.717910 0.108 Uiso 1 1 calc R U . . .
C103 C 0.7048(4) 1.0989(5) 0.8041(4) 0.125(3) Uani 1 1 d . U . . .
H103 H 0.751696 1.132544 0.794473 0.150 Uiso 1 1 calc R U . . .
C104 C 0.7001(4) 1.0659(4) 0.8626(4) 0.112(3) Uani 1 1 d . U . . .
H104 H 0.743431 1.075589 0.892512 0.135 Uiso 1 1 calc R U . . .
C105 C 0.6303(4) 1.0182(4) 0.8768(3) 0.101(2) Uani 1 1 d . U . . .
H105 H 0.625251 0.996178 0.917288 0.121 Uiso 1 1 calc R U . . .
C106 C 0.5673(3) 1.0024(3) 0.8314(3) 0.0730(15) Uani 1 1 d . U . . .
H106 H 0.520662 0.968619 0.841278 0.088 Uiso 1 1 calc R U . . .
C111 C 0.6185(3) 0.8038(3) 0.6817(3) 0.0654(13) Uani 1 1 d . U . . .
C112 C 0.6520(3) 0.8668(4) 0.7198(3) 0.0859(17) Uani 1 1 d . U . . .
H112 H 0.630792 0.911029 0.718813 0.103 Uiso 1 1 calc R U . . .
C113 C 0.7181(4) 0.8653(4) 0.7602(4) 0.113(2) Uani 1 1 d . U . . .
H113 H 0.741075 0.909208 0.785664 0.136 Uiso 1 1 calc R U . . .
C114 C 0.7498(4) 0.8025(5) 0.7637(5) 0.126(3) Uani 1 1 d . U . . .
H114 H 0.794998 0.802877 0.790184 0.152 Uiso 1 1 calc R U . . .
C115 C 0.7145(5) 0.7385(5) 0.7278(4) 0.120(3) Uani 1 1 d . U . . .
H115 H 0.734270 0.693715 0.731492 0.144 Uiso 1 1 calc R U . . .
C116 C 0.6496(4) 0.7382(4) 0.6855(4) 0.098(2) Uani 1 1 d . U . . .
H116 H 0.627293 0.694155 0.659915 0.117 Uiso 1 1 calc R U . . .
C121 C 0.2870(3) 1.0550(3) 0.9238(2) 0.0513(10) Uani 1 1 d . U . . .
C122 C 0.2685(3) 1.1216(3) 0.9012(2) 0.0633(12) Uani 1 1 d . U . . .
H122 H 0.289532 1.140496 0.862258 0.076 Uiso 1 1 calc R U . . .
C123 C 0.2191(3) 1.1600(3) 0.9361(3) 0.0782(15) Uani 1 1 d . U . . .
H123 H 0.206362 1.204299 0.920205 0.094 Uiso 1 1 calc R U . . .
C124 C 0.1882(3) 1.1333(4) 0.9947(3) 0.0842(17) Uani 1 1 d . U . . .
H124 H 0.155183 1.159648 1.018399 0.101 Uiso 1 1 calc R U . . .
C125 C 0.2068(3) 1.0683(4) 1.0168(3) 0.0819(16) Uani 1 1 d . U . . .
H125 H 0.185969 1.049979 1.056046 0.098 Uiso 1 1 calc R U . . .
C126 C 0.2558(3) 1.0287(3) 0.9826(2) 0.0635(12) Uani 1 1 d . U . . .
H126 H 0.268033 0.984362 0.998875 0.076 Uiso 1 1 calc R U . . .
C131 C 0.4667(3) 0.8018(3) 0.8567(2) 0.0568(11) Uani 1 1 d . U . . .
C132 C 0.5283(3) 0.7648(4) 0.8410(3) 0.0868(17) Uani 1 1 d . U . . .
H132 H 0.528908 0.739912 0.799927 0.104 Uiso 1 1 calc R U . . .
C133 C 0.5898(4) 0.7651(5) 0.8876(4) 0.106(2) Uani 1 1 d . U . . .
H133 H 0.630874 0.739483 0.877508 0.127 Uiso 1 1 calc R U . . .
C134 C 0.5905(4) 0.8024(4) 0.9472(4) 0.099(2) Uani 1 1 d . U . . .
H134 H 0.631730 0.802350 0.977865 0.119 Uiso 1 1 calc R U . . .
C135 C 0.5308(4) 0.8394(4) 0.9617(3) 0.0912(18) Uani 1 1 d . U . . .
H135 H 0.531819 0.865770 1.002247 0.109 Uiso 1 1 calc R U . . .
C136 C 0.4682(3) 0.8389(3) 0.9174(3) 0.0730(14) Uani 1 1 d . U . . .
H136 H 0.426909 0.863865 0.928670 0.088 Uiso 1 1 calc R U . . .
C141 C 0.5091(3) 0.5618(3) 0.7367(3) 0.0704(14) Uani 1 1 d . U . . .
C142 C 0.5669(4) 0.5360(4) 0.7016(4) 0.0967(19) Uani 1 1 d . U . . .
H142 H 0.561637 0.531072 0.655992 0.116 Uiso 1 1 calc R U . . .
C143 C 0.6331(4) 0.5172(5) 0.7327(4) 0.113(2) Uani 1 1 d . U . . .
H143 H 0.671684 0.499646 0.708035 0.136 Uiso 1 1 calc R U . . .
C144 C 0.6417(5) 0.5242(5) 0.7995(5) 0.116(2) Uani 1 1 d . U . . .
H144 H 0.686248 0.511900 0.820341 0.139 Uiso 1 1 calc R U . . .
C145 C 0.5868(6) 0.5485(6) 0.8341(4) 0.140(3) Uani 1 1 d . U . . .
H145 H 0.592758 0.553446 0.879579 0.169 Uiso 1 1 calc R U . . .
C146 C 0.5191(5) 0.5672(5) 0.8030(3) 0.118(3) Uani 1 1 d . U . . .
H146 H 0.480459 0.583529 0.828454 0.142 Uiso 1 1 calc R U . . .
C151 C 0.1652(3) 0.8048(3) 1.0093(2) 0.0588(12) Uani 1 1 d . U . . .
C152 C 0.1178(3) 0.8543(3) 0.9900(3) 0.0670(13) Uani 1 1 d . U . . .
H152 H 0.127642 0.878786 0.950864 0.080 Uiso 1 1 calc R U . . .
C153 C 0.0550(4) 0.8684(4) 1.0283(3) 0.0845(16) Uani 1 1 d . U . . .
H153 H 0.022633 0.901251 1.014215 0.101 Uiso 1 1 calc R U . . .
C154 C 0.0408(4) 0.8341(4) 1.0864(3) 0.0961(19) Uani 1 1 d . U . . .
H154 H -0.000900 0.843814 1.111946 0.115 Uiso 1 1 calc R U . . .
C155 C 0.0878(4) 0.7855(4) 1.1068(3) 0.0905(18) Uani 1 1 d . U . . .
H155 H 0.077944 0.762066 1.146372 0.109 Uiso 1 1 calc R U . . .
C156 C 0.1504(4) 0.7709(3) 1.0691(3) 0.0751(15) Uani 1 1 d . U . . .
H156 H 0.182668 0.738272 1.083766 0.090 Uiso 1 1 calc R U . . .
S16 S 0.33005(16) 0.62337(14) 0.88884(12) 0.0679(8) Uani 0.557(3) 1 d D U P A 1
C166 C 0.3249(8) 0.5233(6) 0.8999(6) 0.079(3) Uani 0.557(3) 1 d D U P A 1
C167 C 0.3195(9) 0.4972(8) 0.9618(7) 0.118(4) Uani 0.557(3) 1 d D U P A 1
H167 H 0.311171 0.530527 0.996277 0.142 Uiso 0.557(3) 1 calc R U P A 1
C168 C 0.3258(12) 0.4234(8) 0.9752(9) 0.156(6) Uani 0.557(3) 1 d D U P A 1
H168 H 0.325250 0.407728 1.018064 0.188 Uiso 0.557(3) 1 calc R U P A 1
C169 C 0.3330(11) 0.3743(9) 0.9233(8) 0.156(6) Uani 0.557(3) 1 d D U P A 1
H169 H 0.330700 0.322599 0.930090 0.188 Uiso 0.557(3) 1 calc R U P A 1
C170 C 0.3437(10) 0.3999(6) 0.8610(8) 0.144(5) Uani 0.557(3) 1 d D U P A 1
H170 H 0.354023 0.366955 0.826987 0.173 Uiso 0.557(3) 1 calc R U P A 1
C171 C 0.3390(7) 0.4746(6) 0.8489(7) 0.103(3) Uani 0.557(3) 1 d D U P A 1
H171 H 0.345318 0.491852 0.806729 0.124 Uiso 0.557(3) 1 calc R U P A 1
S16A S 0.2701(2) 0.5682(2) 0.85666(16) 0.0743(11) Uani 0.443(3) 1 d D U P A 2
C160 C 0.3422(8) 0.5525(7) 0.9172(6) 0.073(3) Uani 0.443(3) 1 d D U P A 2
C161 C 0.4015(8) 0.6128(7) 0.9417(7) 0.102(4) Uani 0.443(3) 1 d D U P A 2
H161 H 0.403179 0.662183 0.928224 0.122 Uiso 0.443(3) 1 calc R U P A 2
C162 C 0.4579(9) 0.5986(9) 0.9863(8) 0.131(6) Uani 0.443(3) 1 d D U P A 2
H162 H 0.501960 0.636456 0.999373 0.158 Uiso 0.443(3) 1 calc R U P A 2
C163 C 0.4475(11) 0.5279(10) 1.0106(8) 0.153(7) Uani 0.443(3) 1 d D U P A 2
H163 H 0.472088 0.521942 1.050652 0.183 Uiso 0.443(3) 1 calc R U P A 2
C164 C 0.4017(11) 0.4651(9) 0.9776(8) 0.128(5) Uani 0.443(3) 1 d D U P A 2
H164 H 0.409388 0.415607 0.983741 0.153 Uiso 0.443(3) 1 calc R U P A 2
C165 C 0.3433(10) 0.4796(7) 0.9346(8) 0.110(5) Uani 0.443(3) 1 d D U P A 2
H165 H 0.304166 0.439126 0.917312 0.131 Uiso 0.443(3) 1 calc R U P A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S15 2.5616(14) . ?
Ag1 S6 2.5769(12) . ?
Ag1 S12 2.6022(14) . ?
Ag1 S13 2.6203(12) . ?
Ag2 S3 2.5576(13) . ?
Ag2 S6 2.5588(12) . ?
Ag2 S9 2.5664(14) . ?
Ag2 S8 2.5791(11) . ?
Cd5 S1 2.5454(15) . ?
Cd5 S5 2.5549(13) . ?
Cd5 S4 2.5684(16) . ?
Cd5 S6 2.6098(12) . ?
Cd6 S10 2.5633(13) . ?
Cd6 S11 2.5641(13) . ?
Cd6 S13 2.5921(12) . ?
Cd6 S8 2.6083(11) . ?
Ag3 S14 2.5468(14) . ?
Ag3 S16 2.556(2) . ?
Ag3 S13 2.5692(13) . ?
Ag3 S5 2.5978(13) . ?
Ag3 S16A 2.608(3) . ?
Ag4 S7 2.5612(13) . ?
Ag4 S8 2.5744(11) . ?
Ag4 S2 2.5787(13) . ?
Ag4 S5 2.5969(12) . ?
Cd3 O3 2.308(4) . ?
Cd3 S7 2.4893(14) . ?
Cd3 S11 2.4902(14) . ?
Cd3 S14 2.5050(15) . ?
Cd1 O1 2.283(4) . ?
Cd1 S2 2.4755(14) . ?
Cd1 S1 2.5085(15) . ?
Cd1 S3 2.5139(14) . ?
Cd4 O4 2.297(5) . ?
Cd4 S15 2.4753(16) . ?
Cd4 S4 2.4942(18) . ?
Cd4 S16A 2.504(3) . ?
Cd4 S16 2.580(3) . ?
Cd2 O2 2.326(4) . ?
Cd2 S12 2.4776(13) . ?
Cd2 S9 2.4980(14) . ?
Cd2 S10 2.4984(13) . ?
S1 C11 1.778(5) . ?
S2 C21 1.779(5) . ?
S3 C31 1.785(5) . ?
S4 C41 1.764(7) . ?
S5 C51 1.794(5) . ?
S6 C61 1.788(4) . ?
S7 C71 1.780(5) . ?
S8 C81 1.794(4) . ?
S9 C91 1.780(6) . ?
S10 C101 1.771(5) . ?
S11 C111 1.787(5) . ?
S12 C121 1.778(5) . ?
S13 C131 1.792(5) . ?
S14 C141 1.779(6) . ?
S15 C151 1.771(5) . ?
O1 C1 1.223(7) . ?
O2 C4 1.210(7) . ?
O3 C7 1.273(9) . ?
O4 C10 1.271(12) . ?
O4 H4O 0.9300 . ?
N1 C1 1.281(8) . ?
N1 C2 1.409(11) . ?
N1 C3 1.427(10) . ?
N2 C4 1.264(8) . ?
N2 C5 1.428(12) . ?
N2 C6 1.452(11) . ?
N3 C7 1.252(9) . ?
N3 C9 1.357(10) . ?
N3 C8 1.493(11) . ?
C1 H1 0.9300 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C15 1.368(8) . ?
C11 C16 1.377(8) . ?
C12 C13 1.351(11) . ?
C12 C16 1.385(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.315(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.392(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C22 1.365(7) . ?
C21 C26 1.366(8) . ?
C22 C23 1.395(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.341(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.339(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.379(9) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C36 1.373(7) . ?
C31 C32 1.395(7) . ?
C32 C33 1.384(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.351(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.357(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.396(8) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C45 1.386(9) . ?
C41 C42 1.400(9) . ?
C42 C43 1.381(11) . ?
C42 H42 0.9300 . ?
C43 C46 1.383(12) . ?
C43 H43 0.9300 . ?
C44 C46 1.356(11) . ?
C44 C45 1.392(10) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C52 1.336(8) . ?
C51 C56 1.372(8) . ?
C52 C53 1.393(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.347(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.351(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.383(11) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C62 1.379(6) . ?
C61 C66 1.383(6) . ?
C62 C63 1.385(7) . ?
C62 H62 0.9300 . ?
C63 C64 1.370(7) . ?
C63 H63 0.9300 . ?
C64 C65 1.372(7) . ?
C64 H64 0.9300 . ?
C65 C66 1.374(7) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.371(7) . ?
C71 C76 1.376(7) . ?
C72 C73 1.389(9) . ?
C72 H72 0.9300 . ?
C73 C74 1.363(10) . ?
C73 H73 0.9300 . ?
C74 C75 1.365(9) . ?
C74 H74 0.9300 . ?
C75 C76 1.385(8) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C86 1.366(6) . ?
C81 C82 1.374(6) . ?
C82 C83 1.378(7) . ?
C82 H82 0.9300 . ?
C83 C84 1.364(8) . ?
C83 H83 0.9300 . ?
C84 C85 1.342(8) . ?
C84 H84 0.9300 . ?
C85 C86 1.383(7) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 C96 1.363(8) . ?
C91 C92 1.387(7) . ?
C92 C93 1.380(8) . ?
C92 H92 0.9300 . ?
C93 C94 1.335(9) . ?
C93 H93 0.9300 . ?
C94 C95 1.377(10) . ?
C94 H94 0.9300 . ?
C95 C96 1.420(10) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C101 C106 1.370(7) . ?
C101 C102 1.371(7) . ?
C102 C103 1.385(8) . ?
C102 H102 0.9300 . ?
C103 C104 1.354(9) . ?
C103 H103 0.9300 . ?
C104 C105 1.365(9) . ?
C104 H104 0.9300 . ?
C105 C106 1.378(7) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C111 C112 1.352(8) . ?
C111 C116 1.380(8) . ?
C112 C113 1.385(9) . ?
C112 H112 0.9300 . ?
C113 C114 1.338(10) . ?
C113 H113 0.9300 . ?
C114 C115 1.350(10) . ?
C114 H114 0.9300 . ?
C115 C116 1.385(9) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C122 1.382(7) . ?
C121 C126 1.389(6) . ?
C122 C123 1.375(7) . ?
C122 H122 0.9300 . ?
C123 C124 1.385(8) . ?
C123 H123 0.9300 . ?
C124 C125 1.354(8) . ?
C124 H124 0.9300 . ?
C125 C126 1.376(8) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C136 1.372(7) . ?
C131 C132 1.382(7) . ?
C132 C133 1.396(8) . ?
C132 H132 0.9300 . ?
C133 C134 1.356(10) . ?
C133 H133 0.9300 . ?
C134 C135 1.347(9) . ?
C134 H134 0.9300 . ?
C135 C136 1.381(7) . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C141 C146 1.355(8) . ?
C141 C142 1.368(8) . ?
C142 C143 1.389(9) . ?
C142 H142 0.9300 . ?
C143 C144 1.363(10) . ?
C143 H143 0.9300 . ?
C144 C145 1.312(11) . ?
C144 H144 0.9300 . ?
C145 C146 1.408(10) . ?
C145 H145 0.9300 . ?
C146 H146 0.9300 . ?
C151 C152 1.373(7) . ?
C151 C156 1.393(7) . ?
C152 C153 1.395(8) . ?
C152 H152 0.9300 . ?
C153 C154 1.364(8) . ?
C153 H153 0.9300 . ?
C154 C155 1.362(9) . ?
C154 H154 0.9300 . ?
C155 C156 1.389(8) . ?
C155 H155 0.9300 . ?
C156 H156 0.9300 . ?
S16 C166 1.793(10) . ?
C166 C167 1.365(9) . ?
C166 C171 1.377(9) . ?
C167 C168 1.379(9) . ?
C167 H167 0.9300 . ?
C168 C169 1.365(9) . ?
C168 H168 0.9300 . ?
C169 C170 1.375(9) . ?
C169 H169 0.9300 . ?
C170 C171 1.380(9) . ?
C170 H170 0.9300 . ?
C171 H171 0.9300 . ?
S16A C160 1.792(11) . ?
C160 C165 1.365(9) . ?
C160 C161 1.385(9) . ?
C161 C162 1.374(9) . ?
C161 H161 0.9300 . ?
C162 C163 1.356(9) . ?
C162 H162 0.9300 . ?
C163 C164 1.367(9) . ?
C163 H163 0.9300 . ?
C164 C165 1.381(9) . ?
C164 H164 0.9300 . ?
C165 H165 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S15 Ag1 S6 117.44(4) . . ?
S15 Ag1 S12 113.87(5) . . ?
S6 Ag1 S12 113.56(4) . . ?
S15 Ag1 S13 106.64(4) . . ?
S6 Ag1 S13 100.77(4) . . ?
S12 Ag1 S13 102.04(4) . . ?
S3 Ag2 S6 116.38(4) . . ?
S3 Ag2 S9 108.40(5) . . ?
S6 Ag2 S9 122.34(4) . . ?
S3 Ag2 S8 104.90(4) . . ?
S6 Ag2 S8 99.63(4) . . ?
S9 Ag2 S8 102.05(4) . . ?
S1 Cd5 S5 123.32(4) . . ?
S1 Cd5 S4 113.44(5) . . ?
S5 Cd5 S4 103.49(5) . . ?
S1 Cd5 S6 100.22(4) . . ?
S5 Cd5 S6 103.14(4) . . ?
S4 Cd5 S6 112.91(5) . . ?
S10 Cd6 S11 111.01(4) . . ?
S10 Cd6 S13 116.01(4) . . ?
S11 Cd6 S13 115.04(4) . . ?
S10 Cd6 S8 103.91(4) . . ?
S11 Cd6 S8 106.15(4) . . ?
S13 Cd6 S8 103.22(4) . . ?
S14 Ag3 S16 116.80(7) . . ?
S14 Ag3 S13 122.87(5) . . ?
S16 Ag3 S13 92.65(6) . . ?
S14 Ag3 S5 97.45(4) . . ?
S16 Ag3 S5 125.56(7) . . ?
S13 Ag3 S5 103.07(4) . . ?
S14 Ag3 S16A 109.26(9) . . ?
S13 Ag3 S16A 118.58(9) . . ?
S5 Ag3 S16A 99.79(8) . . ?
S7 Ag4 S8 116.91(4) . . ?
S7 Ag4 S2 109.51(4) . . ?
S8 Ag4 S2 118.58(4) . . ?
S7 Ag4 S5 102.53(4) . . ?
S8 Ag4 S5 102.71(4) . . ?
S2 Ag4 S5 104.06(4) . . ?
O3 Cd3 S7 98.22(12) . . ?
O3 Cd3 S11 100.36(13) . . ?
S7 Cd3 S11 116.86(5) . . ?
O3 Cd3 S14 105.66(14) . . ?
S7 Cd3 S14 107.03(5) . . ?
S11 Cd3 S14 124.32(5) . . ?
O1 Cd1 S2 109.17(12) . . ?
O1 Cd1 S1 98.87(12) . . ?
S2 Cd1 S1 111.05(5) . . ?
O1 Cd1 S3 96.47(12) . . ?
S2 Cd1 S3 119.57(5) . . ?
S1 Cd1 S3 117.81(5) . . ?
O4 Cd4 S15 105.65(16) . . ?
O4 Cd4 S4 101.49(16) . . ?
S15 Cd4 S4 126.27(5) . . ?
O4 Cd4 S16A 97.40(16) . . ?
S15 Cd4 S16A 126.55(9) . . ?
S4 Cd4 S16A 93.92(9) . . ?
O4 Cd4 S16 102.18(15) . . ?
S15 Cd4 S16 95.50(7) . . ?
S4 Cd4 S16 122.77(7) . . ?
O2 Cd2 S12 99.25(10) . . ?
O2 Cd2 S9 106.44(11) . . ?
S12 Cd2 S9 125.42(5) . . ?
O2 Cd2 S10 100.17(10) . . ?
S12 Cd2 S10 117.84(4) . . ?
S9 Cd2 S10 104.01(4) . . ?
C11 S1 Cd1 100.64(17) . . ?
C11 S1 Cd5 111.6(2) . . ?
Cd1 S1 Cd5 100.69(5) . . ?
C21 S2 Cd1 107.77(19) . . ?
C21 S2 Ag4 111.42(18) . . ?
Cd1 S2 Ag4 101.37(5) . . ?
C31 S3 Cd1 101.98(16) . . ?
C31 S3 Ag2 106.78(16) . . ?
Cd1 S3 Ag2 100.24(5) . . ?
C41 S4 Cd4 110.9(2) . . ?
C41 S4 Cd5 107.6(2) . . ?
Cd4 S4 Cd5 106.10(6) . . ?
C51 S5 Cd5 105.98(16) . . ?
C51 S5 Ag4 109.87(17) . . ?
Cd5 S5 Ag4 107.03(4) . . ?
C51 S5 Ag3 104.16(18) . . ?
Cd5 S5 Ag3 112.81(5) . . ?
Ag4 S5 Ag3 116.50(5) . . ?
C61 S6 Ag2 105.70(14) . . ?
C61 S6 Ag1 99.75(14) . . ?
Ag2 S6 Ag1 113.62(4) . . ?
C61 S6 Cd5 108.43(14) . . ?
Ag2 S6 Cd5 114.75(4) . . ?
Ag1 S6 Cd5 113.04(4) . . ?
C71 S7 Cd3 101.23(18) . . ?
C71 S7 Ag4 112.66(17) . . ?
Cd3 S7 Ag4 100.45(5) . . ?
C81 S8 Ag4 105.11(14) . . ?
C81 S8 Ag2 99.22(14) . . ?
Ag4 S8 Ag2 113.21(4) . . ?
C81 S8 Cd6 112.35(14) . . ?
Ag4 S8 Cd6 112.14(4) . . ?
Ag2 S8 Cd6 113.79(4) . . ?
C91 S9 Cd2 106.35(17) . . ?
C91 S9 Ag2 111.98(18) . . ?
Cd2 S9 Ag2 100.84(5) . . ?
C101 S10 Cd2 101.66(16) . . ?
C101 S10 Cd6 110.59(16) . . ?
Cd2 S10 Cd6 101.05(4) . . ?
C111 S11 Cd3 106.00(18) . . ?
C111 S11 Cd6 106.33(18) . . ?
Cd3 S11 Cd6 104.09(5) . . ?
C121 S12 Cd2 108.13(16) . . ?
C121 S12 Ag1 109.66(15) . . ?
Cd2 S12 Ag1 106.50(5) . . ?
C131 S13 Ag3 101.76(17) . . ?
C131 S13 Cd6 110.33(15) . . ?
Ag3 S13 Cd6 109.62(4) . . ?
C131 S13 Ag1 106.75(17) . . ?
Ag3 S13 Ag1 113.46(4) . . ?
Cd6 S13 Ag1 114.15(5) . . ?
C141 S14 Cd3 109.6(2) . . ?
C141 S14 Ag3 114.00(19) . . ?
Cd3 S14 Ag3 101.28(5) . . ?
C151 S15 Cd4 101.80(17) . . ?
C151 S15 Ag1 116.75(17) . . ?
Cd4 S15 Ag1 100.47(5) . . ?
C1 O1 Cd1 120.7(4) . . ?
C4 O2 Cd2 120.5(4) . . ?
C7 O3 Cd3 119.6(5) . . ?
C10 O4 Cd4 121.9(7) . . ?
C10 O4 H4O 119.0 . . ?
Cd4 O4 H4O 119.0 . . ?
C1 N1 C2 119.8(7) . . ?
C1 N1 C3 124.5(9) . . ?
C2 N1 C3 115.3(9) . . ?
C4 N2 C5 117.0(8) . . ?
C4 N2 C6 125.8(9) . . ?
C5 N2 C6 117.1(9) . . ?
C7 N3 C9 123.7(8) . . ?
C7 N3 C8 123.6(8) . . ?
C9 N3 C8 111.5(8) . . ?
O1 C1 N1 125.4(7) . . ?
O1 C1 H1 117.3 . . ?
N1 C1 H1 117.3 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 N2 128.3(7) . . ?
O2 C4 H4 115.9 . . ?
N2 C4 H4 115.9 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 O3 122.7(8) . . ?
N3 C7 H7 118.6 . . ?
O3 C7 H7 118.6 . . ?
N3 C8 H8A 109.5 . . ?
N3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 H10A 109.5 . . ?
O4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
O4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C16 117.2(6) . . ?
C15 C11 S1 119.8(5) . . ?
C16 C11 S1 122.9(4) . . ?
C13 C12 C16 119.9(8) . . ?
C13 C12 H12 120.1 . . ?
C16 C12 H12 120.1 . . ?
C14 C13 C12 120.6(8) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.7(8) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C11 C15 C14 120.7(7) . . ?
C11 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C11 C16 C12 120.8(7) . . ?
C11 C16 H16 119.6 . . ?
C12 C16 H16 119.6 . . ?
C22 C21 C26 118.9(6) . . ?
C22 C21 S2 120.5(5) . . ?
C26 C21 S2 120.5(4) . . ?
C21 C22 C23 119.1(7) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 121.6(8) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C25 C24 C23 119.0(8) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 121.2(9) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C21 C26 C25 120.3(7) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C36 C31 C32 118.4(5) . . ?
C36 C31 S3 122.9(4) . . ?
C32 C31 S3 118.7(4) . . ?
C33 C32 C31 119.7(6) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 120.9(6) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C33 C34 C35 120.5(6) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 119.7(6) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C31 C36 C35 120.7(5) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C45 C41 C42 118.5(7) . . ?
C45 C41 S4 123.1(5) . . ?
C42 C41 S4 118.4(5) . . ?
C43 C42 C41 120.0(8) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C46 121.1(9) . . ?
C42 C43 H43 119.4 . . ?
C46 C43 H43 119.4 . . ?
C46 C44 C45 121.8(9) . . ?
C46 C44 H44 119.1 . . ?
C45 C44 H44 119.1 . . ?
C41 C45 C44 119.9(7) . . ?
C41 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C44 C46 C43 118.6(9) . . ?
C44 C46 H46 120.7 . . ?
C43 C46 H46 120.7 . . ?
C52 C51 C56 119.8(6) . . ?
C52 C51 S5 121.8(4) . . ?
C56 C51 S5 118.4(5) . . ?
C51 C52 C53 121.0(6) . . ?
C51 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
C54 C53 C52 119.5(8) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C53 C54 C55 119.4(7) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C54 C55 C56 121.6(8) . . ?
C54 C55 H55 119.2 . . ?
C56 C55 H55 119.2 . . ?
C51 C56 C55 118.5(8) . . ?
C51 C56 H56 120.8 . . ?
C55 C56 H56 120.8 . . ?
C62 C61 C66 119.7(4) . . ?
C62 C61 S6 121.2(3) . . ?
C66 C61 S6 119.0(3) . . ?
C61 C62 C63 119.6(4) . . ?
C61 C62 H62 120.2 . . ?
C63 C62 H62 120.2 . . ?
C64 C63 C62 120.4(5) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C63 C64 C65 119.8(5) . . ?
C63 C64 H64 120.1 . . ?
C65 C64 H64 120.1 . . ?
C64 C65 C66 120.5(5) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C65 C66 C61 120.0(4) . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
C72 C71 C76 119.0(5) . . ?
C72 C71 S7 118.0(4) . . ?
C76 C71 S7 123.0(4) . . ?
C71 C72 C73 119.4(6) . . ?
C71 C72 H72 120.3 . . ?
C73 C72 H72 120.3 . . ?
C74 C73 C72 121.8(7) . . ?
C74 C73 H73 119.1 . . ?
C72 C73 H73 119.1 . . ?
C73 C74 C75 118.6(7) . . ?
C73 C74 H74 120.7 . . ?
C75 C74 H74 120.7 . . ?
C74 C75 C76 120.4(6) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C71 C76 C75 120.7(5) . . ?
C71 C76 H76 119.6 . . ?
C75 C76 H76 119.6 . . ?
C86 C81 C82 118.2(4) . . ?
C86 C81 S8 121.8(4) . . ?
C82 C81 S8 120.0(3) . . ?
C81 C82 C83 121.0(5) . . ?
C81 C82 H82 119.5 . . ?
C83 C82 H82 119.5 . . ?
C84 C83 C82 119.8(5) . . ?
C84 C83 H83 120.1 . . ?
C82 C83 H83 120.1 . . ?
C85 C84 C83 119.5(5) . . ?
C85 C84 H84 120.2 . . ?
C83 C84 H84 120.2 . . ?
C84 C85 C86 121.1(5) . . ?
C84 C85 H85 119.4 . . ?
C86 C85 H85 119.4 . . ?
C81 C86 C85 120.2(5) . . ?
C81 C86 H86 119.9 . . ?
C85 C86 H86 119.9 . . ?
C96 C91 C92 119.9(6) . . ?
C96 C91 S9 119.1(5) . . ?
C92 C91 S9 120.9(4) . . ?
C93 C92 C91 120.5(6) . . ?
C93 C92 H92 119.8 . . ?
C91 C92 H92 119.8 . . ?
C94 C93 C92 120.8(7) . . ?
C94 C93 H93 119.6 . . ?
C92 C93 H93 119.6 . . ?
C93 C94 C95 119.9(7) . . ?
C93 C94 H94 120.1 . . ?
C95 C94 H94 120.1 . . ?
C94 C95 C96 120.7(7) . . ?
C94 C95 H95 119.6 . . ?
C96 C95 H95 119.6 . . ?
C91 C96 C95 118.2(7) . . ?
C91 C96 H96 120.9 . . ?
C95 C96 H96 120.9 . . ?
C106 C101 C102 118.3(5) . . ?
C106 C101 S10 122.4(4) . . ?
C102 C101 S10 119.3(4) . . ?
C101 C102 C103 119.7(6) . . ?
C101 C102 H102 120.2 . . ?
C103 C102 H102 120.2 . . ?
C104 C103 C102 121.9(6) . . ?
C104 C103 H103 119.0 . . ?
C102 C103 H103 119.0 . . ?
C103 C104 C105 118.5(6) . . ?
C103 C104 H104 120.8 . . ?
C105 C104 H104 120.8 . . ?
C104 C105 C106 120.3(6) . . ?
C104 C105 H105 119.8 . . ?
C106 C105 H105 119.8 . . ?
C101 C106 C105 121.3(5) . . ?
C101 C106 H106 119.3 . . ?
C105 C106 H106 119.3 . . ?
C112 C111 C116 119.0(6) . . ?
C112 C111 S11 119.4(4) . . ?
C116 C111 S11 121.6(5) . . ?
C111 C112 C113 119.8(6) . . ?
C111 C112 H112 120.1 . . ?
C113 C112 H112 120.1 . . ?
C114 C113 C112 121.9(7) . . ?
C114 C113 H113 119.0 . . ?
C112 C113 H113 119.0 . . ?
C113 C114 C115 118.5(7) . . ?
C113 C114 H114 120.8 . . ?
C115 C114 H114 120.8 . . ?
C114 C115 C116 121.4(7) . . ?
C114 C115 H115 119.3 . . ?
C116 C115 H115 119.3 . . ?
C111 C116 C115 119.3(7) . . ?
C111 C116 H116 120.3 . . ?
C115 C116 H116 120.3 . . ?
C122 C121 C126 118.7(5) . . ?
C122 C121 S12 123.7(4) . . ?
C126 C121 S12 117.5(4) . . ?
C123 C122 C121 120.2(5) . . ?
C123 C122 H122 119.9 . . ?
C121 C122 H122 119.9 . . ?
C122 C123 C124 120.7(6) . . ?
C122 C123 H123 119.6 . . ?
C124 C123 H123 119.6 . . ?
C125 C124 C123 118.9(6) . . ?
C125 C124 H124 120.6 . . ?
C123 C124 H124 120.6 . . ?
C124 C125 C126 121.4(6) . . ?
C124 C125 H125 119.3 . . ?
C126 C125 H125 119.3 . . ?
C125 C126 C121 120.1(5) . . ?
C125 C126 H126 120.0 . . ?
C121 C126 H126 120.0 . . ?
C136 C131 C132 119.0(5) . . ?
C136 C131 S13 120.8(4) . . ?
C132 C131 S13 120.2(4) . . ?
C131 C132 C133 119.2(6) . . ?
C131 C132 H132 120.4 . . ?
C133 C132 H132 120.4 . . ?
C134 C133 C132 121.0(7) . . ?
C134 C133 H133 119.5 . . ?
C132 C133 H133 119.5 . . ?
C135 C134 C133 119.4(6) . . ?
C135 C134 H134 120.3 . . ?
C133 C134 H134 120.3 . . ?
C134 C135 C136 121.3(7) . . ?
C134 C135 H135 119.4 . . ?
C136 C135 H135 119.4 . . ?
C131 C136 C135 120.1(6) . . ?
C131 C136 H136 119.9 . . ?
C135 C136 H136 119.9 . . ?
C146 C141 C142 117.1(6) . . ?
C146 C141 S14 122.1(5) . . ?
C142 C141 S14 120.7(5) . . ?
C141 C142 C143 121.1(7) . . ?
C141 C142 H142 119.4 . . ?
C143 C142 H142 119.4 . . ?
C144 C143 C142 120.2(7) . . ?
C144 C143 H143 119.9 . . ?
C142 C143 H143 119.9 . . ?
C145 C144 C143 119.6(8) . . ?
C145 C144 H144 120.2 . . ?
C143 C144 H144 120.2 . . ?
C144 C145 C146 120.7(8) . . ?
C144 C145 H145 119.6 . . ?
C146 C145 H145 119.6 . . ?
C141 C146 C145 121.2(7) . . ?
C141 C146 H146 119.4 . . ?
C145 C146 H146 119.4 . . ?
C152 C151 C156 118.3(5) . . ?
C152 C151 S15 122.8(4) . . ?
C156 C151 S15 118.8(4) . . ?
C151 C152 C153 120.7(5) . . ?
C151 C152 H152 119.6 . . ?
C153 C152 H152 119.6 . . ?
C154 C153 C152 120.3(6) . . ?
C154 C153 H153 119.9 . . ?
C152 C153 H153 119.9 . . ?
C155 C154 C153 119.9(6) . . ?
C155 C154 H154 120.0 . . ?
C153 C154 H154 120.0 . . ?
C154 C155 C156 120.4(6) . . ?
C154 C155 H155 119.8 . . ?
C156 C155 H155 119.8 . . ?
C155 C156 C151 120.4(6) . . ?
C155 C156 H156 119.8 . . ?
C151 C156 H156 119.8 . . ?
C166 S16 Ag3 112.7(4) . . ?
C166 S16 Cd4 108.6(5) . . ?
Ag3 S16 Cd4 100.50(9) . . ?
C167 C166 C171 118.8(12) . . ?
C167 C166 S16 119.3(10) . . ?
C171 C166 S16 121.1(8) . . ?
C166 C167 C168 122.6(14) . . ?
C166 C167 H167 118.7 . . ?
C168 C167 H167 118.7 . . ?
C169 C168 C167 117.5(15) . . ?
C169 C168 H168 121.3 . . ?
C167 C168 H168 121.3 . . ?
C168 C169 C170 121.0(15) . . ?
C168 C169 H169 119.5 . . ?
C170 C169 H169 119.5 . . ?
C169 C170 C171 120.1(14) . . ?
C169 C170 H170 120.0 . . ?
C171 C170 H170 120.0 . . ?
C166 C171 C170 119.5(13) . . ?
C166 C171 H171 120.3 . . ?
C170 C171 H171 120.3 . . ?
C160 S16A Cd4 104.7(5) . . ?
C160 S16A Ag3 109.9(5) . . ?
Cd4 S16A Ag3 101.14(12) . . ?
C165 C160 C161 119.6(10) . . ?
C165 C160 S16A 119.7(10) . . ?
C161 C160 S16A 120.4(9) . . ?
C162 C161 C160 119.1(10) . . ?
C162 C161 H161 120.4 . . ?
C160 C161 H161 120.4 . . ?
C163 C162 C161 118.3(10) . . ?
C163 C162 H162 120.9 . . ?
C161 C162 H162 120.9 . . ?
C162 C163 C164 121.5(11) . . ?
C162 C163 H163 119.2 . . ?
C164 C163 H163 119.2 . . ?
C163 C164 C165 116.0(11) . . ?
C163 C164 H164 122.0 . . ?
C165 C164 H164 122.0 . . ?
C160 C165 C164 121.1(11) . . ?
C160 C165 H165 119.5 . . ?
C164 C165 H165 119.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cd1 O1 C1 N1 158.1(6) . . . . ?
C2 N1 C1 O1 -5.6(13) . . . . ?
C3 N1 C1 O1 -177.8(9) . . . . ?
Cd2 O2 C4 N2 175.7(7) . . . . ?
C5 N2 C4 O2 0.5(16) . . . . ?
C6 N2 C4 O2 -176.7(10) . . . . ?
C9 N3 C7 O3 7.8(15) . . . . ?
C8 N3 C7 O3 174.0(10) . . . . ?
Cd3 O3 C7 N3 -169.5(7) . . . . ?
Cd1 S1 C11 C15 -105.0(5) . . . . ?
Cd5 S1 C11 C15 148.8(5) . . . . ?
Cd1 S1 C11 C16 72.8(5) . . . . ?
Cd5 S1 C11 C16 -33.3(6) . . . . ?
C16 C12 C13 C14 0.9(15) . . . . ?
C12 C13 C14 C15 0.3(15) . . . . ?
C16 C11 C15 C14 2.1(10) . . . . ?
S1 C11 C15 C14 -179.9(6) . . . . ?
C13 C14 C15 C11 -1.9(14) . . . . ?
C15 C11 C16 C12 -1.0(10) . . . . ?
S1 C11 C16 C12 -178.8(6) . . . . ?
C13 C12 C16 C11 -0.6(12) . . . . ?
Cd1 S2 C21 C22 -43.1(5) . . . . ?
Ag4 S2 C21 C22 -153.5(4) . . . . ?
Cd1 S2 C21 C26 141.1(4) . . . . ?
Ag4 S2 C21 C26 30.7(5) . . . . ?
C26 C21 C22 C23 -0.7(10) . . . . ?
S2 C21 C22 C23 -176.6(6) . . . . ?
C21 C22 C23 C24 -0.1(13) . . . . ?
C22 C23 C24 C25 0.6(15) . . . . ?
C23 C24 C25 C26 -0.3(14) . . . . ?
C22 C21 C26 C25 1.0(10) . . . . ?
S2 C21 C26 C25 176.9(5) . . . . ?
C24 C25 C26 C21 -0.5(12) . . . . ?
Cd1 S3 C31 C36 53.5(4) . . . . ?
Ag2 S3 C31 C36 -51.2(4) . . . . ?
Cd1 S3 C31 C32 -126.9(4) . . . . ?
Ag2 S3 C31 C32 128.4(4) . . . . ?
C36 C31 C32 C33 -1.0(8) . . . . ?
S3 C31 C32 C33 179.3(5) . . . . ?
C31 C32 C33 C34 0.4(11) . . . . ?
C32 C33 C34 C35 0.8(12) . . . . ?
C33 C34 C35 C36 -1.4(11) . . . . ?
C32 C31 C36 C35 0.4(8) . . . . ?
S3 C31 C36 C35 -180.0(4) . . . . ?
C34 C35 C36 C31 0.8(9) . . . . ?
Cd4 S4 C41 C45 -6.9(6) . . . . ?
Cd5 S4 C41 C45 -122.6(5) . . . . ?
Cd4 S4 C41 C42 173.8(4) . . . . ?
Cd5 S4 C41 C42 58.2(5) . . . . ?
C45 C41 C42 C43 -0.1(10) . . . . ?
S4 C41 C42 C43 179.2(5) . . . . ?
C41 C42 C43 C46 -0.6(12) . . . . ?
C42 C41 C45 C44 -0.3(10) . . . . ?
S4 C41 C45 C44 -179.5(5) . . . . ?
C46 C44 C45 C41 1.4(12) . . . . ?
C45 C44 C46 C43 -2.1(13) . . . . ?
C42 C43 C46 C44 1.6(13) . . . . ?
Cd5 S5 C51 C52 108.3(5) . . . . ?
Ag4 S5 C51 C52 -7.0(5) . . . . ?
Ag3 S5 C51 C52 -132.5(5) . . . . ?
Cd5 S5 C51 C56 -72.8(5) . . . . ?
Ag4 S5 C51 C56 171.9(5) . . . . ?
Ag3 S5 C51 C56 46.4(5) . . . . ?
C56 C51 C52 C53 2.3(10) . . . . ?
S5 C51 C52 C53 -178.8(5) . . . . ?
C51 C52 C53 C54 -2.7(12) . . . . ?
C52 C53 C54 C55 3.4(14) . . . . ?
C53 C54 C55 C56 -4.0(16) . . . . ?
C52 C51 C56 C55 -2.7(11) . . . . ?
S5 C51 C56 C55 178.4(7) . . . . ?
C54 C55 C56 C51 3.6(15) . . . . ?
Ag2 S6 C61 C62 126.0(3) . . . . ?
Ag1 S6 C61 C62 -116.0(3) . . . . ?
Cd5 S6 C61 C62 2.4(4) . . . . ?
Ag2 S6 C61 C66 -54.9(4) . . . . ?
Ag1 S6 C61 C66 63.2(4) . . . . ?
Cd5 S6 C61 C66 -178.4(3) . . . . ?
C66 C61 C62 C63 0.2(7) . . . . ?
S6 C61 C62 C63 179.3(4) . . . . ?
C61 C62 C63 C64 0.1(8) . . . . ?
C62 C63 C64 C65 -0.8(9) . . . . ?
C63 C64 C65 C66 1.1(9) . . . . ?
C64 C65 C66 C61 -0.8(8) . . . . ?
C62 C61 C66 C65 0.2(7) . . . . ?
S6 C61 C66 C65 -179.0(4) . . . . ?
Cd3 S7 C71 C72 115.8(5) . . . . ?
Ag4 S7 C71 C72 -137.8(5) . . . . ?
Cd3 S7 C71 C76 -66.0(5) . . . . ?
Ag4 S7 C71 C76 40.4(5) . . . . ?
C76 C71 C72 C73 0.1(12) . . . . ?
S7 C71 C72 C73 178.3(7) . . . . ?
C71 C72 C73 C74 1.7(16) . . . . ?
C72 C73 C74 C75 -2.6(16) . . . . ?
C73 C74 C75 C76 1.6(14) . . . . ?
C72 C71 C76 C75 -1.0(9) . . . . ?
S7 C71 C76 C75 -179.1(5) . . . . ?
C74 C75 C76 C71 0.1(11) . . . . ?
Ag4 S8 C81 C86 -149.3(4) . . . . ?
Ag2 S8 C81 C86 93.5(4) . . . . ?
Cd6 S8 C81 C86 -27.1(5) . . . . ?
Ag4 S8 C81 C82 31.8(4) . . . . ?
Ag2 S8 C81 C82 -85.4(4) . . . . ?
Cd6 S8 C81 C82 154.1(3) . . . . ?
C86 C81 C82 C83 2.3(8) . . . . ?
S8 C81 C82 C83 -178.8(4) . . . . ?
C81 C82 C83 C84 -0.4(9) . . . . ?
C82 C83 C84 C85 -2.1(9) . . . . ?
C83 C84 C85 C86 2.7(10) . . . . ?
C82 C81 C86 C85 -1.7(8) . . . . ?
S8 C81 C86 C85 179.4(5) . . . . ?
C84 C85 C86 C81 -0.8(10) . . . . ?
Cd2 S9 C91 C96 60.6(5) . . . . ?
Ag2 S9 C91 C96 169.9(4) . . . . ?
Cd2 S9 C91 C92 -120.6(4) . . . . ?
Ag2 S9 C91 C92 -11.3(5) . . . . ?
C96 C91 C92 C93 0.0(8) . . . . ?
S9 C91 C92 C93 -178.8(4) . . . . ?
C91 C92 C93 C94 0.3(9) . . . . ?
C92 C93 C94 C95 0.6(11) . . . . ?
C93 C94 C95 C96 -1.8(12) . . . . ?
C92 C91 C96 C95 -1.2(9) . . . . ?
S9 C91 C96 C95 177.6(5) . . . . ?
C94 C95 C96 C91 2.1(11) . . . . ?
Cd2 S10 C101 C106 58.3(5) . . . . ?
Cd6 S10 C101 C106 -48.4(5) . . . . ?
Cd2 S10 C101 C102 -122.9(5) . . . . ?
Cd6 S10 C101 C102 130.4(4) . . . . ?
C106 C101 C102 C103 -0.8(10) . . . . ?
S10 C101 C102 C103 -179.6(6) . . . . ?
C101 C102 C103 C104 1.0(13) . . . . ?
C102 C103 C104 C105 -1.6(14) . . . . ?
C103 C104 C105 C106 2.0(13) . . . . ?
C102 C101 C106 C105 1.1(9) . . . . ?
S10 C101 C106 C105 179.9(5) . . . . ?
C104 C105 C106 C101 -1.8(11) . . . . ?
Cd3 S11 C111 C112 -156.3(4) . . . . ?
Cd6 S11 C111 C112 -46.0(5) . . . . ?
Cd3 S11 C111 C116 23.8(5) . . . . ?
Cd6 S11 C111 C116 134.1(5) . . . . ?
C116 C111 C112 C113 1.9(10) . . . . ?
S11 C111 C112 C113 -178.0(5) . . . . ?
C111 C112 C113 C114 -0.9(12) . . . . ?
C112 C113 C114 C115 -1.7(14) . . . . ?
C113 C114 C115 C116 3.3(14) . . . . ?
C112 C111 C116 C115 -0.3(10) . . . . ?
S11 C111 C116 C115 179.6(6) . . . . ?
C114 C115 C116 C111 -2.4(13) . . . . ?
Cd2 S12 C121 C122 -9.1(4) . . . . ?
Ag1 S12 C121 C122 -124.8(4) . . . . ?
Cd2 S12 C121 C126 173.2(3) . . . . ?
Ag1 S12 C121 C126 57.4(4) . . . . ?
C126 C121 C122 C123 -1.0(7) . . . . ?
S12 C121 C122 C123 -178.7(4) . . . . ?
C121 C122 C123 C124 0.9(8) . . . . ?
C122 C123 C124 C125 -0.6(9) . . . . ?
C123 C124 C125 C126 0.3(9) . . . . ?
C124 C125 C126 C121 -0.4(9) . . . . ?
C122 C121 C126 C125 0.7(7) . . . . ?
S12 C121 C126 C125 178.6(4) . . . . ?
Ag3 S13 C131 C136 -127.3(4) . . . . ?
Cd6 S13 C131 C136 116.4(4) . . . . ?
Ag1 S13 C131 C136 -8.2(5) . . . . ?
Ag3 S13 C131 C132 52.5(5) . . . . ?
Cd6 S13 C131 C132 -63.8(5) . . . . ?
Ag1 S13 C131 C132 171.7(4) . . . . ?
C136 C131 C132 C133 1.0(9) . . . . ?
S13 C131 C132 C133 -178.9(5) . . . . ?
C131 C132 C133 C134 -1.2(11) . . . . ?
C132 C133 C134 C135 0.1(11) . . . . ?
C133 C134 C135 C136 1.3(11) . . . . ?
C132 C131 C136 C135 0.3(8) . . . . ?
S13 C131 C136 C135 -179.8(4) . . . . ?
C134 C135 C136 C131 -1.5(9) . . . . ?
Cd3 S14 C141 C146 130.2(6) . . . . ?
Ag3 S14 C141 C146 17.5(7) . . . . ?
Cd3 S14 C141 C142 -53.9(6) . . . . ?
Ag3 S14 C141 C142 -166.7(5) . . . . ?
C146 C141 C142 C143 -0.7(11) . . . . ?
S14 C141 C142 C143 -176.8(6) . . . . ?
C141 C142 C143 C144 -0.1(12) . . . . ?
C142 C143 C144 C145 0.4(14) . . . . ?
C143 C144 C145 C146 0.1(15) . . . . ?
C142 C141 C146 C145 1.3(12) . . . . ?
S14 C141 C146 C145 177.3(7) . . . . ?
C144 C145 C146 C141 -1.0(15) . . . . ?
Cd4 S15 C151 C152 -105.7(4) . . . . ?
Ag1 S15 C151 C152 2.6(5) . . . . ?
Cd4 S15 C151 C156 77.5(4) . . . . ?
Ag1 S15 C151 C156 -174.3(4) . . . . ?
C156 C151 C152 C153 -1.9(8) . . . . ?
S15 C151 C152 C153 -178.8(4) . . . . ?
C151 C152 C153 C154 1.3(9) . . . . ?
C152 C153 C154 C155 -0.4(10) . . . . ?
C153 C154 C155 C156 0.2(11) . . . . ?
C154 C155 C156 C151 -0.9(10) . . . . ?
C152 C151 C156 C155 1.8(8) . . . . ?
S15 C151 C156 C155 178.8(5) . . . . ?
Ag3 S16 C166 C167 179.5(10) . . . . ?
Cd4 S16 C166 C167 -70.1(12) . . . . ?
Ag3 S16 C166 C171 9.8(13) . . . . ?
Cd4 S16 C166 C171 120.2(11) . . . . ?
C171 C166 C167 C168 -1(2) . . . . ?
S16 C166 C167 C168 -171.3(14) . . . . ?
C166 C167 C168 C169 -4(3) . . . . ?
C167 C168 C169 C170 8(3) . . . . ?
C168 C169 C170 C171 -7(3) . . . . ?
C167 C166 C171 C170 3(2) . . . . ?
S16 C166 C171 C170 172.6(11) . . . . ?
C169 C170 C171 C166 1(2) . . . . ?
Cd4 S16A C160 C165 121.3(14) . . . . ?
Ag3 S16A C160 C165 -130.9(14) . . . . ?
Cd4 S16A C160 C161 -64.9(13) . . . . ?
Ag3 S16A C160 C161 42.9(14) . . . . ?
C165 C160 C161 C162 -4(3) . . . . ?
S16A C160 C161 C162 -177.5(13) . . . . ?
C160 C161 C162 C163 -8(3) . . . . ?
C161 C162 C163 C164 23(3) . . . . ?
C162 C163 C164 C165 -25(3) . . . . ?
C161 C160 C165 C164 1(3) . . . . ?
S16A C160 C165 C164 175.3(14) . . . . ?
C163 C164 C165 C160 12(3) . . . . ?

_refine_diff_density_max         1.843
_refine_diff_density_min         -1.132
_refine_diff_density_rms         0.070



####################################################################### 
# 
# 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_P-1_Se
_database_code_depnum_ccdc_archive 'CCDC 1894747'
loop_
_audit_author_name
_audit_author_address
'Hua-Tian Shi'
;Anhui University of Technology
China
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C106 H105 Ag4 Cd6 N3 O4 Se16, C6 H14 N2 O2, C1 H4 O1'
_chemical_formula_sum            'C113 H123 Ag4 Cd6 N5 O7 Se16'
_chemical_formula_weight         4032.40

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'
Se Se -0.0929 2.2259 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.2015(14)
_cell_length_b                   20.1673(17)
_cell_length_c                   21.5676(19)
_cell_angle_alpha                67.211(6)
_cell_angle_beta                 86.452(6)
_cell_angle_gamma                68.354(5)
_cell_volume                     6753.8(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4303
_cell_measurement_theta_min      0.96
_cell_measurement_theta_max      27.98

_exptl_crystal_description       flake
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_F_000             3824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.322
_exptl_crystal_size_mid          0.298
_exptl_crystal_size_min          0.057
_exptl_absorpt_coefficient_mu    5.851
_shelx_estimated_absorpt_T_min   0.255
_shelx_estimated_absorpt_T_max   0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.348.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77330
_diffrn_reflns_av_unetI/netI     0.2518
_diffrn_reflns_av_R_equivalents  0.2032
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.660
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             23759
_reflns_number_gt                7574
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         23759
_refine_ls_number_parameters     1281
_refine_ls_number_restraints     1369
_refine_ls_R_factor_all          0.2560
_refine_ls_R_factor_gt           0.0849
_refine_ls_wR_factor_ref         0.2152
_refine_ls_wR_factor_gt          0.1838
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_restrained_S_all      0.979
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ag2 Ag 0.68769(8) 0.23985(8) 0.56785(7) 0.0721(4) Uani 1 1 d . U . . .
Ag8 Ag 0.92191(7) 0.06623(8) 0.68369(7) 0.0711(4) Uani 1 1 d . U . . .
Ag9 Ag 0.55581(8) 0.17391(8) 0.75531(8) 0.0785(5) Uani 1 1 d . U . . .
Ag10 Ag 0.79234(8) 0.01009(8) 0.87321(7) 0.0716(4) Uani 1 1 d . U . . .
C1 C 0.3593(12) 0.1478(12) 0.5311(11) 0.098(6) Uani 1 1 d . U . . .
H1 H 0.360375 0.120250 0.577240 0.117 Uiso 1 1 calc R U . . .
C2 C 0.2665(15) 0.0999(16) 0.5160(14) 0.163(10) Uani 1 1 d . U . . .
H2A H 0.280391 0.073235 0.563920 0.244 Uiso 1 1 calc R U . . .
H2B H 0.279589 0.062762 0.495666 0.244 Uiso 1 1 calc R U . . .
H2C H 0.210591 0.130323 0.507219 0.244 Uiso 1 1 calc R U . . .
C3 C 0.3056(13) 0.1896(13) 0.4151(12) 0.133(9) Uani 1 1 d . U . . .
H3A H 0.270919 0.242921 0.402147 0.200 Uiso 1 1 calc R U . . .
H3B H 0.286321 0.166257 0.391829 0.200 Uiso 1 1 calc R U . . .
H3C H 0.358095 0.186710 0.403440 0.200 Uiso 1 1 calc R U . . .
C4 C 0.5960(14) 0.2907(9) 1.0028(9) 0.226(10) Uani 1 1 d D U . . .
H4 H 0.611917 0.325131 0.967122 0.271 Uiso 1 1 calc R U . . .
C5 C 0.5360(10) 0.2608(10) 1.1107(9) 0.0917(5) Uani 1 1 d D U . . .
H5A H 0.479005 0.279667 1.106195 0.138 Uiso 1 1 calc R U . . .
H5B H 0.553986 0.259507 1.152188 0.138 Uiso 1 1 calc R U . . .
H5C H 0.557136 0.209440 1.111002 0.138 Uiso 1 1 calc R U . . .
C6 C 0.5717(10) 0.3762(9) 1.0564(9) 0.0917(5) Uani 1 1 d D U . . .
H6A H 0.525386 0.421408 1.033499 0.138 Uiso 1 1 calc R U . . .
H6B H 0.617403 0.381569 1.033534 0.138 Uiso 1 1 calc R U . . .
H6C H 0.578969 0.370493 1.102102 0.138 Uiso 1 1 calc R U . . .
C10 C 0.9422(11) 0.4420(10) 0.5108(10) 0.0917(5) Uani 1 1 d D U . . .
H10A H 0.891726 0.484343 0.495649 0.138 Uiso 1 1 calc R U . . .
H10B H 0.982553 0.457554 0.485722 0.138 Uiso 1 1 calc R U . . .
H10C H 0.954470 0.427441 0.558008 0.138 Uiso 1 1 calc R U . . .
C11 C 0.3640(10) 0.2736(9) 0.6574(11) 0.104(6) Uani 1 1 d D U . . .
C12 C 0.3349(16) 0.3213(15) 0.5922(9) 0.226(14) Uani 1 1 d D U . . .
H12 H 0.356847 0.306065 0.557462 0.271 Uiso 1 1 calc R U . . .
C13 C 0.2736(19) 0.3914(15) 0.5772(10) 0.223(13) Uani 1 1 d D U . . .
H13 H 0.253626 0.423361 0.532581 0.267 Uiso 1 1 calc R U . . .
C14 C 0.2419(17) 0.4143(13) 0.6278(15) 0.224(14) Uani 1 1 d D U . . .
H14 H 0.200097 0.461724 0.617816 0.269 Uiso 1 1 calc R U . . .
C15 C 0.2719(19) 0.3672(15) 0.6936(12) 0.244(14) Uani 1 1 d D U . . .
H15 H 0.253942 0.384627 0.727899 0.293 Uiso 1 1 calc R U . . .
C16 C 0.3282(17) 0.2944(14) 0.7086(8) 0.220(13) Uani 1 1 d D U . . .
H16 H 0.342177 0.259132 0.753290 0.264 Uiso 1 1 calc R U . . .
C21 C 0.5600(11) 0.2776(10) 0.4168(10) 0.082(5) Uani 1 1 d . U . . .
C22 C 0.6274(14) 0.2881(13) 0.3857(11) 0.117(6) Uani 1 1 d . U . . .
H22 H 0.666174 0.295215 0.405688 0.141 Uiso 1 1 calc R U . . .
C23 C 0.6294(17) 0.2865(17) 0.3186(13) 0.151(8) Uani 1 1 d . U . . .
H23 H 0.671277 0.296588 0.295228 0.181 Uiso 1 1 calc R U . . .
C24 C 0.5836(18) 0.2735(17) 0.2872(15) 0.142(9) Uani 1 1 d . U . . .
H24 H 0.592849 0.268437 0.246065 0.170 Uiso 1 1 calc R U . . .
C25 C 0.5257(18) 0.2686(16) 0.3174(13) 0.144(8) Uani 1 1 d . U . . .
H25 H 0.485790 0.267389 0.293417 0.173 Uiso 1 1 calc R U . . .
C26 C 0.5103(14) 0.2643(13) 0.3848(11) 0.119(6) Uani 1 1 d . U . . .
H26 H 0.467515 0.252747 0.405016 0.143 Uiso 1 1 calc R U . . .
C31 C 0.5309(12) -0.0209(11) 0.6389(11) 0.087(5) Uani 1 1 d . U . . .
C32 C 0.4922(14) -0.0409(13) 0.6004(13) 0.125(7) Uani 1 1 d . U . . .
H32 H 0.507140 -0.035670 0.557275 0.150 Uiso 1 1 calc R U . . .
C33 C 0.4314(18) -0.0686(17) 0.6229(17) 0.171(9) Uani 1 1 d . U . . .
H33 H 0.405302 -0.081241 0.596008 0.206 Uiso 1 1 calc R U . . .
C34 C 0.4118(16) -0.0762(17) 0.6907(17) 0.162(9) Uani 1 1 d . U . . .
H34 H 0.371942 -0.094589 0.708727 0.195 Uiso 1 1 calc R U . . .
C35 C 0.4538(14) -0.0554(14) 0.7311(15) 0.143(8) Uani 1 1 d . U . . .
H35 H 0.441326 -0.059653 0.774642 0.172 Uiso 1 1 calc R U . . .
C36 C 0.5123(12) -0.0294(12) 0.7026(11) 0.101(6) Uani 1 1 d . U . . .
H36 H 0.540532 -0.016928 0.728059 0.121 Uiso 1 1 calc R U . . .
C41 C 0.4447(12) 0.2954(11) 0.8473(12) 0.125(7) Uani 1 1 d D U . . .
C42 C 0.3888(19) 0.3222(14) 0.8865(14) 0.273(16) Uani 1 1 d D U . . .
H42 H 0.389828 0.285786 0.929499 0.327 Uiso 1 1 calc R U . . .
C43 C 0.331(2) 0.3951(16) 0.8715(17) 0.273(17) Uani 1 1 d D U . . .
H43 H 0.291291 0.407883 0.898507 0.328 Uiso 1 1 calc R U . . .
C44 C 0.342(2) 0.4457(13) 0.8109(18) 0.310(19) Uani 1 1 d D U . . .
H44 H 0.299619 0.492925 0.792151 0.372 Uiso 1 1 calc R U . . .
C45 C 0.4069(18) 0.4370(12) 0.7736(15) 0.242(15) Uani 1 1 d D U . . .
H45 H 0.418002 0.477007 0.740084 0.290 Uiso 1 1 calc R U . . .
C46 C 0.4525(16) 0.3584(12) 0.7947(14) 0.215(14) Uani 1 1 d D U . . .
H46 H 0.495061 0.346118 0.769614 0.258 Uiso 1 1 calc R U . . .
C51 C 0.5652(8) 0.3644(6) 0.6467(9) 0.080(4) Uani 1 1 d D U . . .
C52 C 0.5914(7) 0.4240(9) 0.6261(13) 0.157(9) Uani 1 1 d D U . . .
H52 H 0.645436 0.414106 0.629731 0.188 Uiso 1 1 calc DR U . . .
C53 C 0.5369(11) 0.4993(8) 0.5999(15) 0.180(10) Uani 1 1 d D U . . .
H53 H 0.553251 0.540628 0.589997 0.216 Uiso 1 1 calc DR U . . .
C54 C 0.4589(10) 0.5127(7) 0.5885(14) 0.169(10) Uani 1 1 d D U . . .
H54 H 0.420137 0.561487 0.580272 0.203 Uiso 1 1 calc R U . . .
C55 C 0.4384(9) 0.4538(10) 0.5895(15) 0.176(10) Uani 1 1 d D U . . .
H55 H 0.388985 0.464386 0.570202 0.211 Uiso 1 1 calc R U . . .
C56 C 0.4919(10) 0.3783(8) 0.6194(13) 0.158(9) Uani 1 1 d D U . . .
H56 H 0.478674 0.337301 0.621077 0.189 Uiso 1 1 calc R U . . .
C61 C 0.7975(12) 0.3185(13) 0.4295(11) 0.094(5) Uani 1 1 d . U . . .
C62 C 0.7856(19) 0.3785(15) 0.3706(13) 0.185(11) Uani 1 1 d . U . . .
H62 H 0.753889 0.428995 0.365113 0.222 Uiso 1 1 calc R U . . .
C63 C 0.827(2) 0.3593(17) 0.3135(13) 0.196(12) Uani 1 1 d . U . . .
H63 H 0.826562 0.398378 0.272325 0.235 Uiso 1 1 calc R U . . .
C64 C 0.8640(17) 0.2842(17) 0.3238(14) 0.166(10) Uani 1 1 d . U . . .
H64 H 0.884976 0.273149 0.286956 0.199 Uiso 1 1 calc R U . . .
C65 C 0.8734(14) 0.2239(15) 0.3824(12) 0.117(7) Uani 1 1 d . U . . .
H65 H 0.900120 0.173053 0.386385 0.141 Uiso 1 1 calc R U . . .
C66 C 0.8419(11) 0.2407(12) 0.4360(11) 0.089(5) Uani 1 1 d . U . . .
H66 H 0.849412 0.200370 0.478055 0.107 Uiso 1 1 calc R U . . .
C71 C 0.6281(10) -0.0417(11) 0.8500(9) 0.071(4) Uani 1 1 d . U . . .
C72 C 0.6749(12) -0.1189(11) 0.8787(10) 0.091(6) Uani 1 1 d . U . . .
H72 H 0.727659 -0.133479 0.869207 0.110 Uiso 1 1 calc R U . . .
C73 C 0.6497(15) -0.1783(13) 0.9215(12) 0.119(7) Uani 1 1 d . U . . .
H73 H 0.683600 -0.229905 0.942445 0.143 Uiso 1 1 calc R U . . .
C74 C 0.5680(16) -0.1514(15) 0.9293(12) 0.113(7) Uani 1 1 d . U . . .
H74 H 0.544909 -0.186906 0.953265 0.135 Uiso 1 1 calc R U . . .
C75 C 0.5239(14) -0.0775(15) 0.9034(12) 0.112(7) Uani 1 1 d . U . . .
H75 H 0.472686 -0.061159 0.916097 0.134 Uiso 1 1 calc R U . . .
C76 C 0.5495(12) -0.0246(12) 0.8596(10) 0.097(6) Uani 1 1 d . U . . .
H76 H 0.512943 0.024973 0.834978 0.116 Uiso 1 1 calc R U . . .
C81 C 0.8112(9) 0.0675(9) 0.5384(8) 0.056(3) Uani 1 1 d . U . . .
C82 C 0.7547(10) 0.0941(11) 0.4873(9) 0.079(5) Uani 1 1 d . U . . .
H82 H 0.703015 0.125279 0.489702 0.095 Uiso 1 1 calc R U . . .
C83 C 0.7731(13) 0.0754(13) 0.4316(10) 0.097(6) Uani 1 1 d . U . . .
H83 H 0.733703 0.094802 0.396735 0.116 Uiso 1 1 calc R U . . .
C84 C 0.8454(14) 0.0307(13) 0.4267(11) 0.108(7) Uani 1 1 d . U . . .
H84 H 0.857769 0.020256 0.388165 0.129 Uiso 1 1 calc R U . . .
C85 C 0.9039(14) -0.0010(15) 0.4814(13) 0.141(8) Uani 1 1 d . U . . .
H85 H 0.955475 -0.032882 0.479764 0.169 Uiso 1 1 calc R U . . .
C86 C 0.8822(11) 0.0166(12) 0.5367(11) 0.108(7) Uani 1 1 d . U . . .
H86 H 0.918562 -0.007971 0.574651 0.130 Uiso 1 1 calc R U . . .
C101 C 0.7661(11) 0.2995(13) 0.8935(10) 0.117(6) Uani 1 1 d D U . . .
C102 C 0.8196(14) 0.2407(11) 0.9440(13) 0.232(12) Uani 1 1 d D U . . .
H102 H 0.821330 0.190510 0.956164 0.279 Uiso 1 1 calc R U . . .
C103 C 0.8713(15) 0.2526(15) 0.9779(13) 0.273(15) Uani 1 1 d D U . . .
H103 H 0.909312 0.211017 1.011249 0.328 Uiso 1 1 calc R U . . .
C104 C 0.8663(19) 0.3271(17) 0.9620(18) 0.315(16) Uani 1 1 d D U . . .
H104 H 0.891719 0.338620 0.990294 0.377 Uiso 1 1 calc R U . . .
C105 C 0.823(2) 0.3843(13) 0.9030(18) 0.320(15) Uani 1 1 d D U . . .
H105 H 0.834186 0.428506 0.880687 0.384 Uiso 1 1 calc R U . . .
C106 C 0.7611(16) 0.3745(11) 0.8775(15) 0.243(13) Uani 1 1 d D U . . .
H106 H 0.717913 0.416980 0.850522 0.291 Uiso 1 1 calc R U . . .
C111 C 0.7954(14) 0.4310(13) 0.6568(12) 0.121(6) Uani 1 1 d D U . . .
C112 C 0.8150(18) 0.4861(13) 0.6658(18) 0.209(11) Uani 1 1 d D U . . .
H112 H 0.863955 0.467217 0.689999 0.251 Uiso 1 1 calc R U . . .
C113 C 0.774(2) 0.5654(14) 0.645(2) 0.237(13) Uani 1 1 d D U . . .
H113 H 0.791008 0.596409 0.658258 0.285 Uiso 1 1 calc R U . . .
C114 C 0.707(2) 0.5943(18) 0.603(2) 0.233(13) Uani 1 1 d D U . . .
H114 H 0.674279 0.646130 0.591505 0.279 Uiso 1 1 calc R U . . .
C115 C 0.6842(14) 0.5527(13) 0.5768(17) 0.255(14) Uani 1 1 d D U . . .
H115 H 0.641012 0.572169 0.545314 0.306 Uiso 1 1 calc DR U . . .
C116 C 0.7359(13) 0.4772(13) 0.6049(13) 0.210(11) Uani 1 1 d D U . . .
H116 H 0.728625 0.448711 0.582335 0.251 Uiso 1 1 calc DR U . . .
C121 C 0.7039(10) 0.0010(10) 1.0302(9) 0.073(4) Uani 1 1 d . U . . .
C122 C 0.6496(10) -0.0222(11) 1.0068(9) 0.077(5) Uani 1 1 d . U . . .
H122 H 0.637049 -0.005007 0.960696 0.092 Uiso 1 1 calc R U . . .
C123 C 0.6165(11) -0.0689(11) 1.0513(10) 0.090(6) Uani 1 1 d . U . . .
H123 H 0.579233 -0.081043 1.034963 0.108 Uiso 1 1 calc R U . . .
C124 C 0.6357(12) -0.0990(12) 1.1197(11) 0.109(7) Uani 1 1 d . U . . .
H124 H 0.613676 -0.133204 1.148749 0.130 Uiso 1 1 calc R U . . .
C125 C 0.6859(13) -0.0792(14) 1.1443(10) 0.114(7) Uani 1 1 d . U . . .
H125 H 0.698993 -0.099352 1.190674 0.137 Uiso 1 1 calc R U . . .
C126 C 0.7185(12) -0.0285(13) 1.1008(10) 0.104(6) Uani 1 1 d . U . . .
H126 H 0.751424 -0.013412 1.119027 0.125 Uiso 1 1 calc R U . . .
C131 C 0.9397(10) 0.1043(11) 0.8336(9) 0.073(4) Uani 1 1 d . U . . .
C132 C 0.9973(11) 0.1323(13) 0.7985(11) 0.106(6) Uani 1 1 d . U . . .
H132 H 0.994187 0.146762 0.751970 0.127 Uiso 1 1 calc R U . . .
C133 C 1.0566(13) 0.1400(16) 0.8267(13) 0.139(8) Uani 1 1 d . U . . .
H133 H 1.089831 0.163600 0.800998 0.167 Uiso 1 1 calc R U . . .
C134 C 1.0645(13) 0.1078(16) 0.9016(13) 0.131(8) Uani 1 1 d . U . . .
H134 H 1.106371 0.104179 0.926977 0.157 Uiso 1 1 calc R U . . .
C135 C 1.0113(15) 0.0867(17) 0.9269(13) 0.159(9) Uani 1 1 d . U . . .
H135 H 1.013814 0.070005 0.973642 0.191 Uiso 1 1 calc R U . . .
C136 C 0.9462(13) 0.0831(16) 0.8976(11) 0.144(8) Uani 1 1 d . U . . .
H136 H 0.909442 0.065972 0.924071 0.173 Uiso 1 1 calc R U . . .
C141 C 1.0745(11) 0.1556(13) 0.6318(10) 0.085(5) Uani 1 1 d . U . . .
C142 C 1.1263(10) 0.0886(12) 0.6768(10) 0.090(6) Uani 1 1 d . U . . .
H142 H 1.111805 0.045581 0.693373 0.108 Uiso 1 1 calc R U . . .
C143 C 1.2003(12) 0.0802(15) 0.6997(13) 0.118(7) Uani 1 1 d . U . . .
H143 H 1.234345 0.031714 0.729233 0.141 Uiso 1 1 calc R U . . .
C144 C 1.2228(14) 0.1393(16) 0.6804(14) 0.138(9) Uani 1 1 d . U . . .
H144 H 1.270334 0.133988 0.699084 0.165 Uiso 1 1 calc R U . . .
C145 C 1.1747(13) 0.2101(16) 0.6316(14) 0.149(9) Uani 1 1 d . U . . .
H145 H 1.187049 0.254212 0.617767 0.178 Uiso 1 1 calc R U . . .
C146 C 1.1031(13) 0.2104(14) 0.6034(13) 0.131(8) Uani 1 1 d . U . . .
H146 H 1.076624 0.251423 0.563484 0.157 Uiso 1 1 calc R U . . .
C151 C 1.1003(11) -0.1020(11) 0.7758(11) 0.084(5) Uani 1 1 d . U . . .
C152 C 1.1752(11) -0.1434(13) 0.7621(13) 0.123(7) Uani 1 1 d . U . . .
H152 H 1.183691 -0.163407 0.728844 0.147 Uiso 1 1 calc R U . . .
C153 C 1.2365(13) -0.1515(16) 0.8044(15) 0.143(8) Uani 1 1 d . U . . .
H153 H 1.288442 -0.171774 0.794331 0.172 Uiso 1 1 calc R U . . .
C154 C 1.2262(17) -0.1331(19) 0.8557(16) 0.172(10) Uani 1 1 d . U . . .
H154 H 1.269569 -0.150091 0.886262 0.207 Uiso 1 1 calc R U . . .
C155 C 1.1486(14) -0.0863(15) 0.8672(13) 0.134(7) Uani 1 1 d . U . . .
H155 H 1.139997 -0.065479 0.899884 0.161 Uiso 1 1 calc R U . . .
C156 C 1.0912(12) -0.0768(13) 0.8257(11) 0.106(6) Uani 1 1 d . U . . .
H156 H 1.039475 -0.049715 0.831930 0.127 Uiso 1 1 calc R U . . .
C161 C 0.8723(11) -0.2055(11) 0.9699(10) 0.092(5) Uani 1 1 d D U . . .
C162 C 0.8978(16) -0.2767(11) 0.9659(13) 0.181(10) Uani 1 1 d D U . . .
H162 H 0.921904 -0.284947 0.928823 0.217 Uiso 1 1 calc R U . . .
C163 C 0.8858(18) -0.3346(15) 1.0196(15) 0.201(11) Uani 1 1 d D U . . .
H163 H 0.919910 -0.385624 1.029370 0.241 Uiso 1 1 calc R U . . .
C164 C 0.8256(17) -0.3207(16) 1.0596(16) 0.209(12) Uani 1 1 d D U . . .
H164 H 0.803919 -0.357635 1.082968 0.251 Uiso 1 1 calc R U . . .
C165 C 0.7987(16) -0.2496(14) 1.0637(14) 0.173(11) Uani 1 1 d D U . . .
H165 H 0.766394 -0.240306 1.096857 0.208 Uiso 1 1 calc R U . . .
C166 C 0.8208(13) -0.1925(14) 1.0175(11) 0.131(7) Uani 1 1 d D U . . .
H166 H 0.800275 -0.143229 1.018268 0.157 Uiso 1 1 calc R U . . .
Cd1 Cd 0.51002(8) 0.16591(8) 0.57872(7) 0.0790(5) Uani 1 1 d . U . . .
Cd3 Cd 0.87765(8) 0.29665(8) 0.58086(8) 0.0827(5) Uani 1 1 d . U . . .
Cd4 Cd 0.71482(8) -0.00830(8) 0.68782(7) 0.0788(4) Uani 1 1 d . U . . .
Cd6 Cd 0.76156(8) 0.25723(8) 0.74682(7) 0.0776(4) Uani 1 1 d . U . . .
Cd7 Cd 0.64465(8) 0.19430(9) 0.91064(8) 0.0862(5) Uani 1 1 d . U . . .
Cd9 Cd 0.92651(8) -0.14738(9) 0.79960(8) 0.0917(5) Uani 1 1 d . U . . .
N1 N 0.3077(9) 0.1474(10) 0.4895(10) 0.097(5) Uani 1 1 d . U . . .
N2 N 0.5618(13) 0.3100(9) 1.0563(9) 0.237(10) Uani 1 1 d D U . . .
O1 O 0.4043(7) 0.1814(7) 0.5127(6) 0.082(3) Uani 1 1 d . U . . .
O2 O 0.6041(8) 0.2279(7) 1.0042(6) 0.106(4) Uani 1 1 d D U . . .
O3 O 1.0165(6) -0.2855(6) 0.8352(7) 0.110(4) Uani 1 1 d D U . . .
O4 O 0.9389(8) 0.3807(8) 0.5009(8) 0.124(4) Uani 1 1 d D U . . .
H4O H 0.960033 0.370609 0.463715 0.149 Uiso 1 1 calc R U . . .
Se1 Se 0.44032(11) 0.17205(11) 0.68658(10) 0.0764(6) Uani 1 1 d . U . . .
Se2 Se 0.54686(10) 0.28267(11) 0.50293(10) 0.0709(6) Uani 1 1 d . U . . .
Se3 Se 0.60437(11) 0.02501(12) 0.59357(10) 0.0780(6) Uani 1 1 d . U . . .
Se4 Se 0.51601(11) 0.19022(12) 0.87133(10) 0.0785(6) Uani 1 1 d . U . . .
Se5 Se 0.64092(9) 0.25796(9) 0.68199(8) 0.0565(5) Uani 1 1 d . U . . .
Se6 Se 0.74907(10) 0.34667(11) 0.50234(10) 0.0765(6) Uani 1 1 d . U . . .
Se7 Se 0.67140(9) 0.03144(10) 0.79373(9) 0.0586(5) Uani 1 1 d . U . . .
Se8 Se 0.78529(9) 0.09151(10) 0.61853(8) 0.0555(5) Uani 1 1 d . U . . .
Se9 Se 0.8067(2) -0.1592(2) 0.7548(2) 0.0812(10) Uani 0.575(3) 1 d . U P A 1
C91 C 0.8664(18) -0.2043(19) 0.6928(16) 0.086(6) Uani 0.575(3) 1 d D U P A 1
C92 C 0.890(2) -0.2815(19) 0.7050(19) 0.110(9) Uani 0.575(3) 1 d D U P A 1
H92 H 0.882189 -0.313735 0.747317 0.132 Uiso 0.575(3) 1 calc R U P A 1
C93 C 0.923(2) -0.316(2) 0.6606(19) 0.136(11) Uani 0.575(3) 1 d D U P A 1
H93 H 0.925744 -0.365469 0.668642 0.163 Uiso 0.575(3) 1 calc R U P A 1
C94 C 0.953(2) -0.2768(19) 0.6047(19) 0.114(11) Uani 0.575(3) 1 d D U P A 1
H94 H 0.986601 -0.299212 0.578010 0.137 Uiso 0.575(3) 1 calc R U P A 1
C95 C 0.9257(17) -0.200(2) 0.5936(17) 0.097(8) Uani 0.575(3) 1 d D U P A 1
H95 H 0.935927 -0.168274 0.552016 0.116 Uiso 0.575(3) 1 calc R U P A 1
C96 C 0.8863(17) -0.1602(19) 0.6327(15) 0.083(7) Uani 0.575(3) 1 d D U P A 1
H96 H 0.873816 -0.107292 0.619491 0.099 Uiso 0.575(3) 1 calc R U P A 1
Se9A Se 0.8267(3) -0.1429(3) 0.7074(3) 0.0812(10) Uani 0.425(3) 1 d . U P A 2
C91A C 0.693(2) -0.2088(15) 0.7622(18) 0.098(10) Uani 0.425(3) 1 d D U P A 2
H91A H 0.657131 -0.158417 0.739802 0.118 Uiso 0.425(3) 1 calc R U P A 2
C92A C 0.6665(18) -0.268(2) 0.793(2) 0.124(12) Uani 0.425(3) 1 d D U P A 2
H92A H 0.613042 -0.259528 0.787062 0.149 Uiso 0.425(3) 1 calc R U P A 2
C93A C 0.720(3) -0.3407(19) 0.832(2) 0.152(16) Uani 0.425(3) 1 d D U P A 2
H93A H 0.702430 -0.377013 0.863900 0.182 Uiso 0.425(3) 1 calc R U P A 2
C94A C 0.799(2) -0.3584(15) 0.822(3) 0.158(16) Uani 0.425(3) 1 d D U P A 2
H94A H 0.834074 -0.409844 0.837495 0.189 Uiso 0.425(3) 1 calc R U P A 2
C95A C 0.8260(17) -0.299(2) 0.790(3) 0.163(17) Uani 0.425(3) 1 d D U P A 2
H95A H 0.879850 -0.310451 0.785656 0.195 Uiso 0.425(3) 1 calc R U P A 2
C96A C 0.773(2) -0.2238(19) 0.765(2) 0.102(9) Uani 0.425(3) 1 d D U P A 2
Se10 Se 0.68567(14) 0.30915(14) 0.83705(12) 0.1044(8) Uani 1 1 d . U . . .
Se11 Se 0.85675(12) 0.33109(13) 0.68722(12) 0.0948(7) Uani 1 1 d . U . . .
Se12 Se 0.75869(10) 0.06136(11) 0.97231(10) 0.0738(6) Uani 1 1 d . U . . .
Se13 Se 0.85536(9) 0.10701(9) 0.78459(8) 0.0550(5) Uani 1 1 d . U . . .
Se14 Se 0.98082(10) 0.16141(11) 0.59279(10) 0.0715(6) Uani 1 1 d . U . . .
Se15 Se 1.01238(10) -0.08229(11) 0.71587(10) 0.0740(6) Uani 1 1 d . U . . .
Se16 Se 0.91103(11) -0.12751(11) 0.91285(11) 0.0816(6) Uani 1 1 d . U . . .
C7 C 1.0857(7) -0.2963(8) 0.8509(10) 0.0917(5) Uani 1 1 d D U . . .
H7 H 1.102548 -0.255282 0.840914 0.110 Uiso 1 1 calc R U . . .
N3 N 1.1368(8) -0.3731(7) 0.8842(15) 0.216(10) Uani 1 1 d D U . . .
C9 C 1.1151(9) -0.4368(6) 0.8985(10) 0.0917(5) Uani 1 1 d D U . . .
H9A H 1.158427 -0.483574 0.924549 0.138 Uiso 1 1 calc R U . . .
H9B H 1.102499 -0.439163 0.857067 0.138 Uiso 1 1 calc R U . . .
H9C H 1.069573 -0.431458 0.923880 0.138 Uiso 1 1 calc R U . . .
C8 C 1.2159(7) -0.3837(9) 0.8959(10) 0.0917(5) Uani 1 1 d D U . . .
H8A H 1.231303 -0.350168 0.856590 0.138 Uiso 1 1 calc R U . . .
H8B H 1.249336 -0.436713 0.905315 0.138 Uiso 1 1 calc R U . . .
H8C H 1.221212 -0.371541 0.933809 0.138 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 Se8 2.662(2) . ?
Ag2 Se6 2.666(3) . ?
Ag2 Se5 2.670(2) . ?
Ag2 Se2 2.674(2) . ?
Ag8 Se14 2.650(2) . ?
Ag8 Se15 2.657(2) . ?
Ag8 Se13 2.684(2) . ?
Ag8 Se8 2.7130(19) . ?
Ag9 Se1 2.665(2) . ?
Ag9 Se4 2.671(3) . ?
Ag9 Se7 2.698(2) . ?
Ag9 Se5 2.707(2) . ?
Ag10 Se16 2.658(2) . ?
Ag10 Se12 2.664(2) . ?
Ag10 Se7 2.677(2) . ?
Ag10 Se13 2.698(2) . ?
C1 O1 1.203(19) . ?
C1 N1 1.34(2) . ?
C1 H1 0.9300 . ?
C2 N1 1.36(2) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 N1 1.49(3) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 O2 1.208(9) . ?
C4 N2 1.397(10) . ?
C4 H4 0.9300 . ?
C5 N2 1.399(9) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 N2 1.411(9) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C10 O4 1.354(9) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.360(8) . ?
C11 C16 1.374(8) . ?
C11 Se1 1.880(13) . ?
C12 C13 1.371(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.360(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.372(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.368(8) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.33(2) . ?
C21 C22 1.41(3) . ?
C21 Se2 1.90(2) . ?
C22 C23 1.46(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.26(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.22(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.44(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C36 1.36(3) . ?
C31 C32 1.37(2) . ?
C31 Se3 1.91(2) . ?
C32 C33 1.40(3) . ?
C32 H32 0.9300 . ?
C33 C34 1.45(4) . ?
C33 H33 0.9300 . ?
C34 C35 1.46(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.37(3) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.372(10) . ?
C41 C46 1.385(10) . ?
C41 Se4 1.911(17) . ?
C42 C43 1.377(10) . ?
C42 H42 0.9300 . ?
C43 C44 1.367(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.381(10) . ?
C44 H44 0.9300 . ?
C45 C46 1.388(10) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C52 1.362(8) . ?
C51 C56 1.377(8) . ?
C51 Se5 1.942(10) . ?
C52 C53 1.379(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.362(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.363(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.381(8) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C62 1.33(3) . ?
C61 C66 1.43(2) . ?
C61 Se6 1.93(2) . ?
C62 C63 1.51(3) . ?
C62 H62 0.9300 . ?
C63 C64 1.34(3) . ?
C63 H63 0.9300 . ?
C64 C65 1.34(3) . ?
C64 H64 0.9300 . ?
C65 C66 1.36(3) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C76 1.37(2) . ?
C71 C72 1.37(2) . ?
C71 Se7 1.903(18) . ?
C72 C73 1.41(2) . ?
C72 H72 0.9300 . ?
C73 C74 1.41(3) . ?
C73 H73 0.9300 . ?
C74 C75 1.31(3) . ?
C74 H74 0.9300 . ?
C75 C76 1.33(2) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C86 1.33(2) . ?
C81 C82 1.36(2) . ?
C81 Se8 1.954(17) . ?
C82 C83 1.38(2) . ?
C82 H82 0.9300 . ?
C83 C84 1.32(2) . ?
C83 H83 0.9300 . ?
C84 C85 1.41(3) . ?
C84 H84 0.9300 . ?
C85 C86 1.37(3) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C101 C102 1.351(8) . ?
C101 C106 1.383(9) . ?
C101 Se10 1.867(15) . ?
C102 C103 1.367(8) . ?
C102 H102 0.9300 . ?
C103 C104 1.373(9) . ?
C103 H103 0.9300 . ?
C104 C105 1.376(9) . ?
C104 H104 0.9300 . ?
C105 C106 1.384(9) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C111 C112 1.366(10) . ?
C111 C116 1.375(10) . ?
C111 Se11 1.77(2) . ?
C112 C113 1.386(10) . ?
C112 H112 0.9300 . ?
C113 C114 1.360(10) . ?
C113 H113 0.9300 . ?
C114 C115 1.358(10) . ?
C114 H114 0.9300 . ?
C115 C116 1.368(10) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C126 1.41(2) . ?
C121 C122 1.43(2) . ?
C121 Se12 1.896(18) . ?
C122 C123 1.35(2) . ?
C122 H122 0.9300 . ?
C123 C124 1.37(2) . ?
C123 H123 0.9300 . ?
C124 C125 1.33(2) . ?
C124 H124 0.9300 . ?
C125 C126 1.38(2) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C136 1.28(2) . ?
C131 C132 1.41(2) . ?
C131 Se13 1.890(16) . ?
C132 C133 1.35(2) . ?
C132 H132 0.9300 . ?
C133 C134 1.48(3) . ?
C133 H133 0.9300 . ?
C134 C135 1.21(3) . ?
C134 H134 0.9300 . ?
C135 C136 1.41(2) . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C141 C146 1.31(2) . ?
C141 C142 1.35(2) . ?
C141 Se14 1.892(18) . ?
C142 C143 1.39(2) . ?
C142 H142 0.9300 . ?
C143 C144 1.31(3) . ?
C143 H143 0.9300 . ?
C144 C145 1.39(3) . ?
C144 H144 0.9300 . ?
C145 C146 1.47(3) . ?
C145 H145 0.9300 . ?
C146 H146 0.9300 . ?
C151 C156 1.34(3) . ?
C151 C152 1.39(3) . ?
C151 Se15 1.943(17) . ?
C152 C153 1.41(3) . ?
C152 H152 0.9300 . ?
C153 C154 1.28(3) . ?
C153 H153 0.9300 . ?
C154 C155 1.45(3) . ?
C154 H154 0.9300 . ?
C155 C156 1.33(2) . ?
C155 H155 0.9300 . ?
C156 H156 0.9300 . ?
C161 C162 1.372(10) . ?
C161 C166 1.383(10) . ?
C161 Se16 1.92(2) . ?
C162 C163 1.366(10) . ?
C162 H162 0.9300 . ?
C163 C164 1.367(10) . ?
C163 H163 0.9300 . ?
C164 C165 1.370(10) . ?
C164 H164 0.9300 . ?
C165 C166 1.372(10) . ?
C165 H165 0.9300 . ?
C166 H166 0.9300 . ?
Cd1 O1 2.319(11) . ?
Cd1 Se2 2.591(2) . ?
Cd1 Se1 2.604(3) . ?
Cd1 Se3 2.625(2) . ?
Cd3 O4 2.446(14) . ?
Cd3 Se14 2.602(2) . ?
Cd3 Se6 2.605(2) . ?
Cd3 Se11 2.612(3) . ?
Cd4 Se9A 2.614(6) . ?
Cd4 Se3 2.660(2) . ?
Cd4 Se7 2.686(2) . ?
Cd4 Se8 2.696(2) . ?
Cd4 Se9 2.698(4) . ?
Cd6 Se10 2.640(3) . ?
Cd6 Se11 2.649(3) . ?
Cd6 Se5 2.668(2) . ?
Cd6 Se13 2.684(2) . ?
Cd7 O2 2.362(12) . ?
Cd7 Se4 2.579(2) . ?
Cd7 Se10 2.593(3) . ?
Cd7 Se12 2.596(2) . ?
Cd9 O3 2.483(10) . ?
Cd9 Se9 2.563(4) . ?
Cd9 Se15 2.599(3) . ?
Cd9 Se16 2.607(3) . ?
Cd9 Se9A 2.730(6) . ?
O3 C7 1.242(9) . ?
O4 H4O 0.9300 . ?
Se9 C91 1.96(3) . ?
C91 C92 1.371(10) . ?
C91 C96 1.373(10) . ?
C92 C93 1.380(10) . ?
C92 H92 0.9300 . ?
C93 C94 1.364(10) . ?
C93 H93 0.9300 . ?
C94 C95 1.373(10) . ?
C94 H94 0.9300 . ?
C95 C96 1.371(10) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
Se9A C96A 2.15(3) . ?
C91A C96A 1.367(8) . ?
C91A C92A 1.373(8) . ?
C91A H91A 0.9300 . ?
C92A C93A 1.372(9) . ?
C92A H92A 0.9300 . ?
C93A C94A 1.377(9) . ?
C93A H93A 0.9300 . ?
C94A C95A 1.374(8) . ?
C94A H94A 0.9300 . ?
C95A C96A 1.374(9) . ?
C95A H95A 0.9300 . ?
C7 N3 1.392(9) . ?
C7 H7 0.9300 . ?
N3 C9 1.398(9) . ?
N3 C8 1.398(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?

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
Se8 Ag2 Se6 118.22(7) . . ?
Se8 Ag2 Se5 99.89(7) . . ?
Se6 Ag2 Se5 106.91(8) . . ?
Se8 Ag2 Se2 120.49(7) . . ?
Se6 Ag2 Se2 108.14(7) . . ?
Se5 Ag2 Se2 100.14(7) . . ?
Se14 Ag8 Se15 112.79(8) . . ?
Se14 Ag8 Se13 117.05(8) . . ?
Se15 Ag8 Se13 117.06(8) . . ?
Se14 Ag8 Se8 103.80(7) . . ?
Se15 Ag8 Se8 106.30(7) . . ?
Se13 Ag8 Se8 96.75(6) . . ?
Se1 Ag9 Se4 114.28(8) . . ?
Se1 Ag9 Se7 106.21(8) . . ?
Se4 Ag9 Se7 104.16(7) . . ?
Se1 Ag9 Se5 116.31(8) . . ?
Se4 Ag9 Se5 114.81(8) . . ?
Se7 Ag9 Se5 98.43(7) . . ?
Se16 Ag10 Se12 111.68(8) . . ?
Se16 Ag10 Se7 116.55(8) . . ?
Se12 Ag10 Se7 118.15(7) . . ?
Se16 Ag10 Se13 103.63(7) . . ?
Se12 Ag10 Se13 103.63(8) . . ?
Se7 Ag10 Se13 100.29(7) . . ?
O1 C1 N1 124(2) . . ?
O1 C1 H1 117.8 . . ?
N1 C1 H1 117.8 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 N2 117.9(12) . . ?
O2 C4 H4 121.0 . . ?
N2 C4 H4 121.0 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O4 C10 H10A 109.5 . . ?
O4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
O4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 119.3(6) . . ?
C12 C11 Se1 125.6(14) . . ?
C16 C11 Se1 114.3(14) . . ?
C11 C12 C13 120.6(6) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 119.9(6) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 119.8(6) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 119.8(6) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C11 119.7(6) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C26 C21 C22 119(2) . . ?
C26 C21 Se2 124.3(18) . . ?
C22 C21 Se2 117.0(16) . . ?
C21 C22 C23 112(2) . . ?
C21 C22 H22 123.9 . . ?
C23 C22 H22 123.9 . . ?
C24 C23 C22 131(3) . . ?
C24 C23 H23 114.7 . . ?
C22 C23 H23 114.7 . . ?
C25 C24 C23 112(3) . . ?
C25 C24 H24 124.2 . . ?
C23 C24 H24 124.2 . . ?
C24 C25 C26 129(3) . . ?
C24 C25 H25 115.4 . . ?
C26 C25 H25 115.4 . . ?
C21 C26 C25 117(3) . . ?
C21 C26 H26 121.5 . . ?
C25 C26 H26 121.5 . . ?
C36 C31 C32 120(2) . . ?
C36 C31 Se3 124.4(17) . . ?
C32 C31 Se3 115.1(18) . . ?
C31 C32 C33 123(3) . . ?
C31 C32 H32 118.4 . . ?
C33 C32 H32 118.4 . . ?
C32 C33 C34 116(3) . . ?
C32 C33 H33 122.2 . . ?
C34 C33 H33 122.2 . . ?
C33 C34 C35 121(3) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C36 C35 C34 117(3) . . ?
C36 C35 H35 121.3 . . ?
C34 C35 H35 121.3 . . ?
C31 C36 C35 123(2) . . ?
C31 C36 H36 118.6 . . ?
C35 C36 H36 118.6 . . ?
C42 C41 C46 109(2) . . ?
C42 C41 Se4 125.6(18) . . ?
C46 C41 Se4 124.5(16) . . ?
C41 C42 C43 130(2) . . ?
C41 C42 H42 115.2 . . ?
C43 C42 H42 115.2 . . ?
C44 C43 C42 110(2) . . ?
C44 C43 H43 125.0 . . ?
C42 C43 H43 125.0 . . ?
C43 C44 C45 129(2) . . ?
C43 C44 H44 115.3 . . ?
C45 C44 H44 115.3 . . ?
C44 C45 C46 108(2) . . ?
C44 C45 H45 125.8 . . ?
C46 C45 H45 125.8 . . ?
C41 C46 C45 130(2) . . ?
C41 C46 H46 114.9 . . ?
C45 C46 H46 114.9 . . ?
C52 C51 C56 118.2(7) . . ?
C52 C51 Se5 119.9(10) . . ?
C56 C51 Se5 117.4(9) . . ?
C51 C52 C53 119.2(6) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
C54 C53 C52 119.5(6) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C53 C54 C55 119.2(8) . . ?
C53 C54 H54 120.4 . . ?
C55 C54 H54 120.4 . . ?
C54 C55 C56 119.3(6) . . ?
C54 C55 H55 120.4 . . ?
C56 C55 H55 120.4 . . ?
C51 C56 C55 119.1(6) . . ?
C51 C56 H56 120.5 . . ?
C55 C56 H56 120.5 . . ?
C62 C61 C66 122(2) . . ?
C62 C61 Se6 114.1(18) . . ?
C66 C61 Se6 124.3(16) . . ?
C61 C62 C63 116(2) . . ?
C61 C62 H62 122.2 . . ?
C63 C62 H62 122.2 . . ?
C64 C63 C62 118(3) . . ?
C64 C63 H63 121.0 . . ?
C62 C63 H63 121.0 . . ?
C65 C64 C63 126(3) . . ?
C65 C64 H64 117.1 . . ?
C63 C64 H64 117.1 . . ?
C64 C65 C66 117(3) . . ?
C64 C65 H65 121.7 . . ?
C66 C65 H65 121.7 . . ?
C65 C66 C61 122(2) . . ?
C65 C66 H66 119.0 . . ?
C61 C66 H66 119.0 . . ?
C76 C71 C72 114.8(18) . . ?
C76 C71 Se7 124.5(14) . . ?
C72 C71 Se7 120.3(14) . . ?
C71 C72 C73 125(2) . . ?
C71 C72 H72 117.3 . . ?
C73 C72 H72 117.3 . . ?
C74 C73 C72 113(2) . . ?
C74 C73 H73 123.5 . . ?
C72 C73 H73 123.5 . . ?
C75 C74 C73 121(2) . . ?
C75 C74 H74 119.4 . . ?
C73 C74 H74 119.4 . . ?
C74 C75 C76 123(3) . . ?
C74 C75 H75 118.7 . . ?
C76 C75 H75 118.7 . . ?
C75 C76 C71 121(2) . . ?
C75 C76 H76 119.3 . . ?
C71 C76 H76 119.3 . . ?
C86 C81 C82 118.1(17) . . ?
C86 C81 Se8 120.4(13) . . ?
C82 C81 Se8 121.0(13) . . ?
C81 C82 C83 120.6(18) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C84 C83 C82 121(2) . . ?
C84 C83 H83 119.3 . . ?
C82 C83 H83 119.3 . . ?
C83 C84 C85 119(2) . . ?
C83 C84 H84 120.7 . . ?
C85 C84 H84 120.7 . . ?
C86 C85 C84 118(2) . . ?
C86 C85 H85 121.0 . . ?
C84 C85 H85 121.0 . . ?
C81 C86 C85 123(2) . . ?
C81 C86 H86 118.6 . . ?
C85 C86 H86 118.6 . . ?
C102 C101 C106 119.0(8) . . ?
C102 C101 Se10 135.7(14) . . ?
C106 C101 Se10 105.3(14) . . ?
C101 C102 C103 121.9(8) . . ?
C101 C102 H102 119.0 . . ?
C103 C102 H102 119.0 . . ?
C102 C103 C104 118.9(8) . . ?
C102 C103 H103 120.5 . . ?
C104 C103 H103 120.5 . . ?
C103 C104 C105 118.2(9) . . ?
C103 C104 H104 120.9 . . ?
C105 C104 H104 120.9 . . ?
C104 C105 C106 118.6(10) . . ?
C104 C105 H105 120.7 . . ?
C106 C105 H105 120.7 . . ?
C101 C106 C105 117.9(9) . . ?
C101 C106 H106 121.1 . . ?
C105 C106 H106 121.1 . . ?
C112 C111 C116 100(2) . . ?
C112 C111 Se11 124.1(19) . . ?
C116 C111 Se11 132.4(19) . . ?
C111 C112 C113 131(3) . . ?
C111 C112 H112 114.7 . . ?
C113 C112 H112 114.7 . . ?
C114 C113 C112 115(3) . . ?
C114 C113 H113 122.7 . . ?
C112 C113 H113 122.7 . . ?
C115 C114 C113 124(3) . . ?
C115 C114 H114 117.8 . . ?
C113 C114 H114 117.8 . . ?
C114 C115 C116 108(3) . . ?
C114 C115 H115 126.0 . . ?
C116 C115 H115 126.0 . . ?
C115 C116 C111 139(3) . . ?
C115 C116 H116 110.7 . . ?
C111 C116 H116 110.7 . . ?
C126 C121 C122 114.7(17) . . ?
C126 C121 Se12 121.3(14) . . ?
C122 C121 Se12 123.9(14) . . ?
C123 C122 C121 120.3(18) . . ?
C123 C122 H122 119.8 . . ?
C121 C122 H122 119.8 . . ?
C122 C123 C124 122.5(19) . . ?
C122 C123 H123 118.7 . . ?
C124 C123 H123 118.7 . . ?
C125 C124 C123 120(2) . . ?
C125 C124 H124 120.2 . . ?
C123 C124 H124 120.2 . . ?
C124 C125 C126 120(2) . . ?
C124 C125 H125 120.1 . . ?
C126 C125 H125 120.1 . . ?
C125 C126 C121 122.8(18) . . ?
C125 C126 H126 118.6 . . ?
C121 C126 H126 118.6 . . ?
C136 C131 C132 116.0(17) . . ?
C136 C131 Se13 124.2(16) . . ?
C132 C131 Se13 119.6(14) . . ?
C133 C132 C131 126(2) . . ?
C133 C132 H132 117.1 . . ?
C131 C132 H132 117.1 . . ?
C132 C133 C134 115(2) . . ?
C132 C133 H133 122.6 . . ?
C134 C133 H133 122.6 . . ?
C135 C134 C133 114(2) . . ?
C135 C134 H134 123.0 . . ?
C133 C134 H134 123.0 . . ?
C134 C135 C136 131(3) . . ?
C134 C135 H135 114.3 . . ?
C136 C135 H135 114.3 . . ?
C131 C136 C135 118(2) . . ?
C131 C136 H136 121.2 . . ?
C135 C136 H136 121.2 . . ?
C146 C141 C142 114.7(19) . . ?
C146 C141 Se14 120.6(16) . . ?
C142 C141 Se14 122.2(17) . . ?
C141 C142 C143 124(2) . . ?
C141 C142 H142 118.2 . . ?
C143 C142 H142 118.2 . . ?
C144 C143 C142 121(2) . . ?
C144 C143 H143 119.4 . . ?
C142 C143 H143 119.4 . . ?
C143 C144 C145 119(2) . . ?
C143 C144 H144 120.4 . . ?
C145 C144 H144 120.4 . . ?
C144 C145 C146 115(2) . . ?
C144 C145 H145 122.3 . . ?
C146 C145 H145 122.3 . . ?
C141 C146 C145 123(2) . . ?
C141 C146 H146 118.3 . . ?
C145 C146 H146 118.3 . . ?
C156 C151 C152 122(2) . . ?
C156 C151 Se15 123.4(16) . . ?
C152 C151 Se15 115.1(17) . . ?
C151 C152 C153 112(2) . . ?
C151 C152 H152 123.9 . . ?
C153 C152 H152 123.9 . . ?
C154 C153 C152 125(3) . . ?
C154 C153 H153 117.6 . . ?
C152 C153 H153 117.6 . . ?
C153 C154 C155 122(3) . . ?
C153 C154 H154 119.2 . . ?
C155 C154 H154 119.2 . . ?
C156 C155 C154 112(2) . . ?
C156 C155 H155 124.0 . . ?
C154 C155 H155 124.0 . . ?
C155 C156 C151 127(2) . . ?
C155 C156 H156 116.7 . . ?
C151 C156 H156 116.7 . . ?
C162 C161 C166 118(2) . . ?
C162 C161 Se16 120.4(16) . . ?
C166 C161 Se16 121.1(17) . . ?
C163 C162 C161 116(2) . . ?
C163 C162 H162 122.0 . . ?
C161 C162 H162 122.0 . . ?
C162 C163 C164 123(3) . . ?
C162 C163 H163 118.7 . . ?
C164 C163 H163 118.7 . . ?
C163 C164 C165 117(3) . . ?
C163 C164 H164 121.7 . . ?
C165 C164 H164 121.7 . . ?
C164 C165 C166 118(3) . . ?
C164 C165 H165 120.8 . . ?
C166 C165 H165 120.8 . . ?
C165 C166 C161 122(3) . . ?
C165 C166 H166 118.8 . . ?
C161 C166 H166 118.8 . . ?
O1 Cd1 Se2 101.4(3) . . ?
O1 Cd1 Se1 99.7(3) . . ?
Se2 Cd1 Se1 117.97(8) . . ?
O1 Cd1 Se3 99.6(3) . . ?
Se2 Cd1 Se3 119.45(8) . . ?
Se1 Cd1 Se3 113.28(8) . . ?
O4 Cd3 Se14 100.1(3) . . ?
O4 Cd3 Se6 96.1(3) . . ?
Se14 Cd3 Se6 115.07(8) . . ?
O4 Cd3 Se11 107.4(4) . . ?
Se14 Cd3 Se11 118.56(8) . . ?
Se6 Cd3 Se11 115.11(8) . . ?
Se9A Cd4 Se3 109.49(15) . . ?
Se9A Cd4 Se7 119.25(15) . . ?
Se3 Cd4 Se7 119.59(7) . . ?
Se9A Cd4 Se8 102.38(15) . . ?
Se3 Cd4 Se8 100.55(7) . . ?
Se7 Cd4 Se8 101.55(7) . . ?
Se3 Cd4 Se9 117.29(11) . . ?
Se7 Cd4 Se9 99.18(11) . . ?
Se8 Cd4 Se9 118.66(11) . . ?
Se10 Cd6 Se11 110.99(9) . . ?
Se10 Cd6 Se5 100.04(8) . . ?
Se11 Cd6 Se5 124.20(8) . . ?
Se10 Cd6 Se13 120.16(8) . . ?
Se11 Cd6 Se13 103.59(7) . . ?
Se5 Cd6 Se13 98.70(7) . . ?
O2 Cd7 Se4 100.8(3) . . ?
O2 Cd7 Se10 100.1(3) . . ?
Se4 Cd7 Se10 117.96(9) . . ?
O2 Cd7 Se12 99.0(3) . . ?
Se4 Cd7 Se12 116.42(9) . . ?
Se10 Cd7 Se12 116.82(9) . . ?
O3 Cd9 Se9 97.1(3) . . ?
O3 Cd9 Se15 99.5(3) . . ?
Se9 Cd9 Se15 120.14(13) . . ?
O3 Cd9 Se16 103.0(3) . . ?
Se9 Cd9 Se16 115.02(13) . . ?
Se15 Cd9 Se16 116.30(9) . . ?
O3 Cd9 Se9A 98.0(3) . . ?
Se15 Cd9 Se9A 98.28(15) . . ?
Se16 Cd9 Se9A 135.21(16) . . ?
C1 N1 C2 118(2) . . ?
C1 N1 C3 119.2(19) . . ?
C2 N1 C3 122(2) . . ?
C4 N2 C5 123.4(13) . . ?
C4 N2 C6 112.0(10) . . ?
C5 N2 C6 123.4(14) . . ?
C1 O1 Cd1 125.8(13) . . ?
C4 O2 Cd7 121.4(10) . . ?
C7 O3 Cd9 112.3(9) . . ?
C10 O4 Cd3 120.1(13) . . ?
C10 O4 H4O 119.9 . . ?
Cd3 O4 H4O 119.9 . . ?
C11 Se1 Cd1 104.1(7) . . ?
C11 Se1 Ag9 104.5(6) . . ?
Cd1 Se1 Ag9 99.59(8) . . ?
C21 Se2 Cd1 106.7(6) . . ?
C21 Se2 Ag2 110.6(6) . . ?
Cd1 Se2 Ag2 98.57(7) . . ?
C31 Se3 Cd1 94.0(6) . . ?
C31 Se3 Cd4 106.7(6) . . ?
Cd1 Se3 Cd4 101.69(8) . . ?
C41 Se4 Cd7 101.4(7) . . ?
C41 Se4 Ag9 106.3(7) . . ?
Cd7 Se4 Ag9 100.26(8) . . ?
C51 Se5 Cd6 106.1(5) . . ?
C51 Se5 Ag2 101.0(6) . . ?
Cd6 Se5 Ag2 108.94(7) . . ?
C51 Se5 Ag9 104.5(5) . . ?
Cd6 Se5 Ag9 117.87(7) . . ?
Ag2 Se5 Ag9 116.31(8) . . ?
C61 Se6 Cd3 98.4(6) . . ?
C61 Se6 Ag2 104.2(6) . . ?
Cd3 Se6 Ag2 101.38(8) . . ?
C71 Se7 Ag10 103.5(5) . . ?
C71 Se7 Cd4 104.9(6) . . ?
Ag10 Se7 Cd4 114.54(7) . . ?
C71 Se7 Ag9 107.8(5) . . ?
Ag10 Se7 Ag9 113.78(8) . . ?
Cd4 Se7 Ag9 111.38(7) . . ?
C81 Se8 Ag2 103.3(5) . . ?
C81 Se8 Cd4 101.9(5) . . ?
Ag2 Se8 Cd4 114.42(7) . . ?
C81 Se8 Ag8 108.6(4) . . ?
Ag2 Se8 Ag8 113.49(7) . . ?
Cd4 Se8 Ag8 113.71(7) . . ?
C91 Se9 Cd9 94.0(9) . . ?
C91 Se9 Cd4 111.1(9) . . ?
Cd9 Se9 Cd4 100.91(14) . . ?
C92 C91 C96 115(3) . . ?
C92 C91 Se9 123(3) . . ?
C96 C91 Se9 122(3) . . ?
C91 C92 C93 126(4) . . ?
C91 C92 H92 116.9 . . ?
C93 C92 H92 116.9 . . ?
C94 C93 C92 120(4) . . ?
C94 C93 H93 120.2 . . ?
C92 C93 H93 120.2 . . ?
C93 C94 C95 110(4) . . ?
C93 C94 H94 124.9 . . ?
C95 C94 H94 124.9 . . ?
C96 C95 C94 132(4) . . ?
C96 C95 H95 114.1 . . ?
C94 C95 H95 114.1 . . ?
C95 C96 C91 115(3) . . ?
C95 C96 H96 122.3 . . ?
C91 C96 H96 122.3 . . ?
C96A Se9A Cd4 103.1(11) . . ?
C96A Se9A Cd9 105.0(11) . . ?
Cd4 Se9A Cd9 98.8(2) . . ?
C96A C91A C92A 120.0(6) . . ?
C96A C91A H91A 120.0 . . ?
C92A C91A H91A 120.0 . . ?
C93A C92A C91A 119.2(8) . . ?
C93A C92A H92A 120.4 . . ?
C91A C92A H92A 120.4 . . ?
C92A C93A C94A 118.6(10) . . ?
C92A C93A H93A 120.7 . . ?
C94A C93A H93A 120.7 . . ?
C95A C94A C93A 119.4(8) . . ?
C95A C94A H94A 120.3 . . ?
C93A C94A H94A 120.3 . . ?
C94A C95A C96A 119.7(6) . . ?
C94A C95A H95A 120.2 . . ?
C96A C95A H95A 120.2 . . ?
C91A C96A C95A 119.4(8) . . ?
C91A C96A Se9A 125(2) . . ?
C95A C96A Se9A 113(2) . . ?
C101 Se10 Cd7 102.3(7) . . ?
C101 Se10 Cd6 104.4(7) . . ?
Cd7 Se10 Cd6 100.60(9) . . ?
C111 Se11 Cd3 105.3(8) . . ?
C111 Se11 Cd6 105.0(8) . . ?
Cd3 Se11 Cd6 99.02(9) . . ?
C121 Se12 Cd7 102.5(5) . . ?
C121 Se12 Ag10 104.1(6) . . ?
Cd7 Se12 Ag10 100.55(8) . . ?
C131 Se13 Cd6 99.4(6) . . ?
C131 Se13 Ag8 104.9(6) . . ?
Cd6 Se13 Ag8 114.97(7) . . ?
C131 Se13 Ag10 106.5(6) . . ?
Cd6 Se13 Ag10 113.24(7) . . ?
Ag8 Se13 Ag10 115.61(8) . . ?
C141 Se14 Cd3 103.7(7) . . ?
C141 Se14 Ag8 109.5(6) . . ?
Cd3 Se14 Ag8 101.92(8) . . ?
C151 Se15 Cd9 102.2(6) . . ?
C151 Se15 Ag8 104.7(6) . . ?
Cd9 Se15 Ag8 100.09(8) . . ?
C161 Se16 Cd9 103.9(6) . . ?
C161 Se16 Ag10 108.8(6) . . ?
Cd9 Se16 Ag10 100.02(8) . . ?
O3 C7 N3 116.4(11) . . ?
O3 C7 H7 121.8 . . ?
N3 C7 H7 121.8 . . ?
C7 N3 C9 124.0(9) . . ?
C7 N3 C8 115.0(10) . . ?
C9 N3 C8 120.6(11) . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C8 H8A 109.5 . . ?
N3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 C11 C12 C13 4(5) . . . . ?
Se1 C11 C12 C13 173(3) . . . . ?
C11 C12 C13 C14 1(7) . . . . ?
C12 C13 C14 C15 0(7) . . . . ?
C13 C14 C15 C16 -6(7) . . . . ?
C14 C15 C16 C11 11(6) . . . . ?
C12 C11 C16 C15 -10(5) . . . . ?
Se1 C11 C16 C15 180(3) . . . . ?
C26 C21 C22 C23 3(3) . . . . ?
Se2 C21 C22 C23 -177.4(17) . . . . ?
C21 C22 C23 C24 -4(5) . . . . ?
C22 C23 C24 C25 7(6) . . . . ?
C23 C24 C25 C26 -10(5) . . . . ?
C22 C21 C26 C25 -5(3) . . . . ?
Se2 C21 C26 C25 175.1(17) . . . . ?
C24 C25 C26 C21 10(5) . . . . ?
C36 C31 C32 C33 2(4) . . . . ?
Se3 C31 C32 C33 -174(2) . . . . ?
C31 C32 C33 C34 -1(4) . . . . ?
C32 C33 C34 C35 0(5) . . . . ?
C33 C34 C35 C36 -1(4) . . . . ?
C32 C31 C36 C35 -2(4) . . . . ?
Se3 C31 C36 C35 173.3(17) . . . . ?
C34 C35 C36 C31 1(4) . . . . ?
C46 C41 C42 C43 18(6) . . . . ?
Se4 C41 C42 C43 -175(4) . . . . ?
C41 C42 C43 C44 -8(8) . . . . ?
C42 C43 C44 C45 -14(9) . . . . ?
C43 C44 C45 C46 20(8) . . . . ?
C42 C41 C46 C45 -10(5) . . . . ?
Se4 C41 C46 C45 -178(3) . . . . ?
C44 C45 C46 C41 -6(6) . . . . ?
C56 C51 C52 C53 23(3) . . . . ?
Se5 C51 C52 C53 179(2) . . . . ?
C51 C52 C53 C54 -7(4) . . . . ?
C52 C53 C54 C55 -14(5) . . . . ?
C53 C54 C55 C56 18(5) . . . . ?
C52 C51 C56 C55 -19(4) . . . . ?
Se5 C51 C56 C55 -176(2) . . . . ?
C54 C55 C56 C51 -1(4) . . . . ?
C66 C61 C62 C63 -4(5) . . . . ?
Se6 C61 C62 C63 176(2) . . . . ?
C61 C62 C63 C64 7(5) . . . . ?
C62 C63 C64 C65 -6(6) . . . . ?
C63 C64 C65 C66 0(5) . . . . ?
C64 C65 C66 C61 3(4) . . . . ?
C62 C61 C66 C65 -1(4) . . . . ?
Se6 C61 C66 C65 178.5(18) . . . . ?
C76 C71 C72 C73 -7(3) . . . . ?
Se7 C71 C72 C73 179.6(16) . . . . ?
C71 C72 C73 C74 4(3) . . . . ?
C72 C73 C74 C75 -6(4) . . . . ?
C73 C74 C75 C76 11(4) . . . . ?
C74 C75 C76 C71 -14(4) . . . . ?
C72 C71 C76 C75 11(3) . . . . ?
Se7 C71 C76 C75 -175.3(18) . . . . ?
C86 C81 C82 C83 -7(3) . . . . ?
Se8 C81 C82 C83 -178.5(15) . . . . ?
C81 C82 C83 C84 1(3) . . . . ?
C82 C83 C84 C85 3(4) . . . . ?
C83 C84 C85 C86 0(4) . . . . ?
C82 C81 C86 C85 10(4) . . . . ?
Se8 C81 C86 C85 -179(2) . . . . ?
C84 C85 C86 C81 -6(4) . . . . ?
C106 C101 C102 C103 -3(2) . . . . ?
Se10 C101 C102 C103 -178(2) . . . . ?
C101 C102 C103 C104 3(2) . . . . ?
C102 C103 C104 C105 -15(4) . . . . ?
C103 C104 C105 C106 27(5) . . . . ?
C102 C101 C106 C105 15(4) . . . . ?
Se10 C101 C106 C105 -169(3) . . . . ?
C104 C105 C106 C101 -27(4) . . . . ?
C116 C111 C112 C113 17(5) . . . . ?
Se11 C111 C112 C113 179(3) . . . . ?
C111 C112 C113 C114 -7(7) . . . . ?
C112 C113 C114 C115 -7(7) . . . . ?
C113 C114 C115 C116 6(6) . . . . ?
C114 C115 C116 C111 11(5) . . . . ?
C112 C111 C116 C115 -21(4) . . . . ?
Se11 C111 C116 C115 179(2) . . . . ?
C126 C121 C122 C123 0(3) . . . . ?
Se12 C121 C122 C123 176.1(15) . . . . ?
C121 C122 C123 C124 -3(3) . . . . ?
C122 C123 C124 C125 3(4) . . . . ?
C123 C124 C125 C126 0(4) . . . . ?
C124 C125 C126 C121 -3(4) . . . . ?
C122 C121 C126 C125 3(3) . . . . ?
Se12 C121 C126 C125 -173.1(19) . . . . ?
C136 C131 C132 C133 -2(4) . . . . ?
Se13 C131 C132 C133 174(2) . . . . ?
C131 C132 C133 C134 7(4) . . . . ?
C132 C133 C134 C135 -8(4) . . . . ?
C133 C134 C135 C136 4(5) . . . . ?
C132 C131 C136 C135 -3(4) . . . . ?
Se13 C131 C136 C135 -177.9(19) . . . . ?
C134 C135 C136 C131 1(5) . . . . ?
C146 C141 C142 C143 9(3) . . . . ?
Se14 C141 C142 C143 171.4(18) . . . . ?
C141 C142 C143 C144 3(4) . . . . ?
C142 C143 C144 C145 -6(4) . . . . ?
C143 C144 C145 C146 -3(4) . . . . ?
C142 C141 C146 C145 -19(4) . . . . ?
Se14 C141 C146 C145 179(2) . . . . ?
C144 C145 C146 C141 16(4) . . . . ?
C156 C151 C152 C153 -2(3) . . . . ?
Se15 C151 C152 C153 176.2(18) . . . . ?
C151 C152 C153 C154 9(5) . . . . ?
C152 C153 C154 C155 -13(6) . . . . ?
C153 C154 C155 C156 10(5) . . . . ?
C154 C155 C156 C151 -3(4) . . . . ?
C152 C151 C156 C155 0(4) . . . . ?
Se15 C151 C156 C155 -178.1(19) . . . . ?
C166 C161 C162 C163 -15(4) . . . . ?
Se16 C161 C162 C163 162(2) . . . . ?
C161 C162 C163 C164 27(5) . . . . ?
C162 C163 C164 C165 -27(6) . . . . ?
C163 C164 C165 C166 14(5) . . . . ?
C164 C165 C166 C161 -4(4) . . . . ?
C162 C161 C166 C165 5(4) . . . . ?
Se16 C161 C166 C165 -173(2) . . . . ?
O1 C1 N1 C2 173(2) . . . . ?
O1 C1 N1 C3 1(3) . . . . ?
O2 C4 N2 C5 -1(3) . . . . ?
O2 C4 N2 C6 167(2) . . . . ?
N1 C1 O1 Cd1 -167.7(14) . . . . ?
N2 C4 O2 Cd7 171.6(14) . . . . ?
C12 C11 Se1 Cd1 20(3) . . . . ?
C16 C11 Se1 Cd1 -170(2) . . . . ?
C12 C11 Se1 Ag9 124(2) . . . . ?
C16 C11 Se1 Ag9 -66(2) . . . . ?
C26 C21 Se2 Cd1 45.4(19) . . . . ?
C22 C21 Se2 Cd1 -134.0(14) . . . . ?
C26 C21 Se2 Ag2 151.6(17) . . . . ?
C22 C21 Se2 Ag2 -27.9(17) . . . . ?
C96 C91 C92 C93 -7(6) . . . . ?
Se9 C91 C92 C93 172(3) . . . . ?
C91 C92 C93 C94 15(7) . . . . ?
C92 C93 C94 C95 -15(6) . . . . ?
C93 C94 C95 C96 11(5) . . . . ?
C94 C95 C96 C91 -4(5) . . . . ?
C92 C91 C96 C95 1(4) . . . . ?
Se9 C91 C96 C95 -178(2) . . . . ?
C96A C91A C92A C93A 7(6) . . . . ?
C91A C92A C93A C94A -21(6) . . . . ?
C92A C93A C94A C95A 19(7) . . . . ?
C93A C94A C95A C96A -4(8) . . . . ?
C92A C91A C96A C95A 8(6) . . . . ?
C92A C91A C96A Se9A 170(3) . . . . ?
C94A C95A C96A C91A -10(8) . . . . ?
C94A C95A C96A Se9A -174(4) . . . . ?
C102 C101 Se10 Cd7 28(2) . . . . ?
C106 C101 Se10 Cd7 -148.3(18) . . . . ?
C102 C101 Se10 Cd6 -77(2) . . . . ?
C106 C101 Se10 Cd6 107.2(18) . . . . ?
C112 C111 Se11 Cd3 -124(3) . . . . ?
C116 C111 Se11 Cd3 33(3) . . . . ?
C112 C111 Se11 Cd6 132(3) . . . . ?
C116 C111 Se11 Cd6 -71(3) . . . . ?
C126 C121 Se12 Cd7 -116.9(16) . . . . ?
C122 C121 Se12 Cd7 67.3(16) . . . . ?
C126 C121 Se12 Ag10 138.7(16) . . . . ?
C122 C121 Se12 Ag10 -37.1(16) . . . . ?
C136 C131 Se13 Cd6 96(2) . . . . ?
C132 C131 Se13 Cd6 -79.0(16) . . . . ?
C136 C131 Se13 Ag8 -145(2) . . . . ?
C132 C131 Se13 Ag8 40.2(17) . . . . ?
C136 C131 Se13 Ag10 -22(2) . . . . ?
C132 C131 Se13 Ag10 163.2(14) . . . . ?
C146 C141 Se14 Cd3 -54(2) . . . . ?
C142 C141 Se14 Cd3 144.6(17) . . . . ?
C146 C141 Se14 Ag8 -162(2) . . . . ?
C142 C141 Se14 Ag8 36.4(19) . . . . ?
Cd9 O3 C7 N3 167.5(18) . . . . ?
O3 C7 N3 C9 2(4) . . . . ?
O3 C7 N3 C8 175(2) . . . . ?

_refine_diff_density_max         2.504
_refine_diff_density_min         -2.028
_refine_diff_density_rms         0.188



####################################################################### 
# 
# 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_c2c_Se
_database_code_depnum_ccdc_archive 'CCDC 1894749'
loop_
_audit_author_name
_audit_author_address
'Hua-Tian Shi'
;Anhui University of Technology
China
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C122 H108 Ag4 Cd6 N4 Se16, C15 H35 N5 O5'
_chemical_formula_sum            'C137 H143 Ag4 Cd6 N9 O5 Se16'
_chemical_formula_weight         4364.84

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'
Se Se -0.0929 2.2259 '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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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                   20.407
_cell_length_b                   25.953
_cell_length_c                   54.744
_cell_angle_alpha                90
_cell_angle_beta                 97.96
_cell_angle_gamma                90
_cell_volume                     28715.2
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8218
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      19.37

_exptl_crystal_description       flake
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.019
_exptl_crystal_F_000             16704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.227
_exptl_crystal_size_min          0.058
_exptl_absorpt_coefficient_mu    5.513
_shelx_estimated_absorpt_T_min   0.334
_shelx_estimated_absorpt_T_max   0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.451.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            118851
_diffrn_reflns_av_unetI/netI     0.1499
_diffrn_reflns_av_R_equivalents  0.1189
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_theta_min         1.370
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             25295
_reflns_number_gt                10395
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0993P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         25295
_refine_ls_number_parameters     1535
_refine_ls_number_restraints     1848
_refine_ls_R_factor_all          0.1977
_refine_ls_R_factor_gt           0.0736
_refine_ls_wR_factor_ref         0.2088
_refine_ls_wR_factor_gt          0.1774
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_restrained_S_all      0.922
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.35519(5) 0.38188(4) 0.09454(2) 0.0730(4) Uani 1 1 d . U . . .
Cd2 Cd 0.16851(5) 0.40894(5) 0.21534(2) 0.0747(4) Uani 1 1 d . U . . .
Cd3 Cd 0.16300(5) 0.65020(4) 0.11838(2) 0.0628(3) Uani 1 1 d . U . . .
Cd4 Cd -0.04935(5) 0.39531(4) 0.08059(2) 0.0634(3) Uani 1 1 d . U . . .
Cd5 Cd 0.16899(5) 0.53822(4) 0.17080(2) 0.0698(3) Uani 1 1 d . U . . .
Cd6 Cd 0.14943(5) 0.37540(4) 0.08502(2) 0.0674(3) Uani 1 1 d . U . . .
Ag1 Ag 0.04734(5) 0.52286(4) 0.09898(2) 0.0633(3) Uani 1 1 d . U . . .
Ag2 Ag 0.26867(5) 0.51501(4) 0.10517(2) 0.0641(3) Uani 1 1 d . U . . .
Ag3 Ag 0.05704(5) 0.39214(4) 0.15372(2) 0.0686(3) Uani 1 1 d . U . . .
Ag4 Ag 0.27493(5) 0.39026(4) 0.15767(2) 0.0713(4) Uani 1 1 d . U . . .
Se1 Se 0.35994(7) 0.47693(6) 0.08021(3) 0.0726(5) Uani 1 1 d . U . . .
Se2 Se 0.25390(7) 0.32433(6) 0.07449(3) 0.0743(5) Uani 1 1 d . U . . .
Se3 Se 0.37145(8) 0.34324(7) 0.13855(3) 0.0817(5) Uani 1 1 d . U . . .
Se4 Se 0.27315(7) 0.61810(5) 0.10455(3) 0.0634(4) Uani 1 1 d . U . . .
Se5 Se 0.15301(6) 0.47730(5) 0.08382(3) 0.0528(4) Uani 1 1 d . U . . .
Se6 Se 0.26799(6) 0.49308(5) 0.15244(3) 0.0564(4) Uani 1 1 d . U . . .
Se7 Se 0.03571(7) 0.33332(6) 0.06427(3) 0.0666(4) Uani 1 1 d . U . . .
Se8 Se 0.15976(6) 0.35733(5) 0.13366(3) 0.0565(4) Uani 1 1 d . U . . .
Se9 Se 0.16710(9) 0.51033(7) 0.21691(3) 0.0870(5) Uani 1 1 d . U . . .
Se10 Se 0.05768(7) 0.62310(6) 0.08909(3) 0.0616(4) Uani 1 1 d . U . . .
Se11 Se 0.14930(10) 0.63880(7) 0.16510(3) 0.0915(6) Uani 1 1 d . U . . .
Se12 Se -0.05635(7) 0.49195(6) 0.06774(3) 0.0663(4) Uani 1 1 d . U . . .
Se13 Se 0.06226(6) 0.49426(5) 0.14599(3) 0.0530(4) Uani 1 1 d . U . . .
Se14 Se 0.28477(8) 0.37935(7) 0.20624(3) 0.0788(5) Uani 1 1 d . U . . .
Se15 Se -0.06134(7) 0.37584(6) 0.12653(3) 0.0643(4) Uani 1 1 d . U . . .
Se16 Se 0.05090(7) 0.37275(6) 0.20123(3) 0.0721(5) Uani 1 1 d . U . . .
N1 N 0.4306(5) 0.3439(4) 0.0718(2) 0.064(3) Uani 1 1 d . U . . .
N2 N 0.1825(6) 0.3980(5) 0.2581(2) 0.085(3) Uani 1 1 d . U . . .
N3 N 0.1772(5) 0.7386(4) 0.1149(2) 0.059(3) Uani 1 1 d . U . . .
N4 N -0.1511(5) 0.3625(5) 0.0598(2) 0.064(3) Uani 1 1 d . U . . .
C11 C 0.4460(7) 0.4999(6) 0.0974(3) 0.082(4) Uani 1 1 d . U . . .
C12 C 0.4460(9) 0.5355(8) 0.1143(4) 0.136(7) Uani 1 1 d . U . . .
H12 H 0.407716 0.551075 0.118216 0.163 Uiso 1 1 calc R U . . .
C13 C 0.5123(11) 0.5483(9) 0.1264(5) 0.184(9) Uani 1 1 d . U . . .
H13 H 0.517865 0.569372 0.140229 0.221 Uiso 1 1 calc R U . . .
C14 C 0.5693(10) 0.5279(10) 0.1166(5) 0.156(8) Uani 1 1 d . U . . .
H14 H 0.611038 0.536556 0.124615 0.187 Uiso 1 1 calc R U . . .
C15 C 0.5659(9) 0.4980(9) 0.0971(5) 0.142(7) Uani 1 1 d . U . . .
H15 H 0.603221 0.487577 0.090427 0.171 Uiso 1 1 calc R U . . .
C16 C 0.5037(8) 0.4835(7) 0.0875(4) 0.116(6) Uani 1 1 d . U . . .
H16 H 0.498496 0.461850 0.073779 0.139 Uiso 1 1 calc R U . . .
C21 C 0.2656(7) 0.3360(6) 0.0406(3) 0.075(3) Uani 1 1 d . U . . .
C22 C 0.2437(8) 0.3811(7) 0.0276(4) 0.101(5) Uani 1 1 d . U . . .
H22 H 0.223759 0.406817 0.035808 0.121 Uiso 1 1 calc R U . . .
C23 C 0.2506(10) 0.3889(8) 0.0028(4) 0.129(6) Uani 1 1 d . U . . .
H23 H 0.234824 0.418337 -0.005724 0.154 Uiso 1 1 calc R U . . .
C24 C 0.2821(12) 0.3503(9) -0.0081(4) 0.136(7) Uani 1 1 d . U . . .
H24 H 0.288735 0.354561 -0.024484 0.163 Uiso 1 1 calc R U . . .
C25 C 0.3047(10) 0.3052(8) 0.0038(4) 0.120(6) Uani 1 1 d . U . . .
H25 H 0.326034 0.280288 -0.004405 0.144 Uiso 1 1 calc R U . . .
C26 C 0.2949(8) 0.2977(7) 0.0286(4) 0.104(5) Uani 1 1 d . U . . .
H26 H 0.308229 0.267208 0.036653 0.125 Uiso 1 1 calc R U . . .
C31A C 0.4441(13) 0.3843(16) 0.1573(6) 0.117(8) Uani 0.484(13) 1 d D U P A 1
C32A C 0.4935(17) 0.4065(17) 0.1466(5) 0.127(8) Uani 0.484(13) 1 d D U P A 1
H32A H 0.496293 0.401928 0.129943 0.152 Uiso 0.484(13) 1 calc R U P A 1
C33A C 0.540(2) 0.4366(17) 0.1617(8) 0.167(10) Uani 0.484(13) 1 d D U P A 1
H33A H 0.565590 0.461435 0.155108 0.201 Uiso 0.484(13) 1 calc R U P A 1
C34A C 0.5464(18) 0.4274(17) 0.1868(7) 0.164(11) Uani 0.484(13) 1 d D U P A 1
H34A H 0.567540 0.450527 0.198239 0.196 Uiso 0.484(13) 1 calc R U P A 1
C35A C 0.5190(17) 0.3813(17) 0.1940(5) 0.151(10) Uani 0.484(13) 1 d D U P A 1
H35A H 0.540793 0.360994 0.206595 0.181 Uiso 0.484(13) 1 calc R U P A 1
C36A C 0.4581(17) 0.3677(16) 0.1816(6) 0.143(9) Uani 0.484(13) 1 d D U P A 1
H36A H 0.427991 0.348382 0.189108 0.171 Uiso 0.484(13) 1 calc R U P A 1
C31B C 0.4576(13) 0.3550(15) 0.1561(6) 0.117(7) Uani 0.516(13) 1 d D U P A 2
C32B C 0.4877(17) 0.4014(13) 0.1566(8) 0.142(8) Uani 0.516(13) 1 d D U P A 2
H32B H 0.465255 0.430107 0.149619 0.170 Uiso 0.516(13) 1 calc R U P A 2
C33B C 0.5535(15) 0.4054(13) 0.1680(8) 0.135(9) Uani 0.516(13) 1 d D U P A 2
H33B H 0.577720 0.435172 0.166044 0.162 Uiso 0.516(13) 1 calc R U P A 2
C34B C 0.5816(13) 0.3658(16) 0.1817(7) 0.154(11) Uani 0.516(13) 1 d D U P A 2
H34B H 0.623667 0.369785 0.190546 0.185 Uiso 0.516(13) 1 calc R U P A 2
C35B C 0.5490(16) 0.3202(14) 0.1829(8) 0.164(11) Uani 0.516(13) 1 d D U P A 2
H35B H 0.570046 0.292006 0.191016 0.197 Uiso 0.516(13) 1 calc R U P A 2
C36B C 0.4847(16) 0.3166(13) 0.1717(8) 0.154(10) Uani 0.516(13) 1 d D U P A 2
H36B H 0.459259 0.288131 0.174682 0.185 Uiso 0.516(13) 1 calc R U P A 2
C41 C 0.2679(7) 0.6364(5) 0.0706(3) 0.064(3) Uani 1 1 d . U . . .
C42 C 0.2105(7) 0.6496(6) 0.0564(3) 0.075(4) Uani 1 1 d . U . . .
H42 H 0.171154 0.650504 0.063161 0.090 Uiso 1 1 calc R U . . .
C43 C 0.2106(8) 0.6620(6) 0.0312(3) 0.085(4) Uani 1 1 d . U . . .
H43 H 0.171239 0.671211 0.021528 0.102 Uiso 1 1 calc R U . . .
C44 C 0.2690(9) 0.6605(6) 0.0208(3) 0.098(5) Uani 1 1 d . U . . .
H44 H 0.268576 0.669253 0.004320 0.118 Uiso 1 1 calc R U . . .
C45 C 0.3288(9) 0.6459(7) 0.0351(3) 0.103(5) Uani 1 1 d . U . . .
H45 H 0.367752 0.643808 0.028155 0.123 Uiso 1 1 calc R U . . .
C46 C 0.3282(8) 0.6345(6) 0.0605(3) 0.092(5) Uani 1 1 d . U . . .
H46 H 0.367341 0.625699 0.070400 0.111 Uiso 1 1 calc R U . . .
C51 C 0.1494(6) 0.4935(5) 0.0489(2) 0.051(3) Uani 1 1 d . U . . .
C52 C 0.0963(7) 0.4757(5) 0.0328(3) 0.068(4) Uani 1 1 d . U . . .
H52 H 0.063118 0.456342 0.038354 0.081 Uiso 1 1 calc R U . . .
C53 C 0.0939(8) 0.4873(6) 0.0085(3) 0.086(4) Uani 1 1 d . U . . .
H53 H 0.057230 0.476992 -0.002423 0.104 Uiso 1 1 calc R U . . .
C54 C 0.1437(9) 0.5137(6) -0.0005(3) 0.088(5) Uani 1 1 d . U . . .
H54 H 0.142192 0.520474 -0.017266 0.106 Uiso 1 1 calc R U . . .
C55 C 0.1963(8) 0.5298(6) 0.0166(3) 0.087(5) Uani 1 1 d . U . . .
H55 H 0.230136 0.548535 0.010960 0.104 Uiso 1 1 calc R U . . .
C56 C 0.2008(7) 0.5197(5) 0.0410(3) 0.069(4) Uani 1 1 d . U . . .
H56 H 0.237326 0.530005 0.051932 0.083 Uiso 1 1 calc R U . . .
C61 C 0.3445(7) 0.5245(6) 0.1720(3) 0.074(4) Uani 1 1 d . U . . .
C62A C 0.369(2) 0.5068(16) 0.1928(7) 0.110(10) Uani 0.39(2) 1 d . U P B 1
H62A H 0.351479 0.475815 0.197310 0.131 Uiso 0.39(2) 1 calc DR U P B 1
C63A C 0.424(2) 0.5289(18) 0.2114(7) 0.115(11) Uani 0.39(2) 1 d . U P B 1
H63A H 0.432763 0.513686 0.226887 0.138 Uiso 0.39(2) 1 calc DR U P B 1
C64A C 0.456(4) 0.565(3) 0.2067(11) 0.110(10) Uani 0.39(2) 1 d . U P B 1
H64A H 0.499098 0.574325 0.213085 0.132 Uiso 0.39(2) 1 calc R U P B 1
C65A C 0.399(3) 0.598(3) 0.1842(18) 0.101(10) Uani 0.39(2) 1 d . U P B 1
H65A H 0.388558 0.633276 0.184439 0.121 Uiso 0.39(2) 1 calc R U P B 1
C66A C 0.377(3) 0.568(3) 0.1691(16) 0.099(10) Uani 0.39(2) 1 d . U P B 1
H66A H 0.383820 0.575929 0.153037 0.119 Uiso 0.39(2) 1 calc R U P B 1
C62B C 0.3999(12) 0.4870(12) 0.1802(6) 0.095(8) Uani 0.61(2) 1 d . U P B 2
H62B H 0.399120 0.452109 0.176209 0.114 Uiso 0.61(2) 1 calc R U P B 2
C63B C 0.4548(15) 0.5129(12) 0.1952(7) 0.117(9) Uani 0.61(2) 1 d . U P B 2
H63B H 0.490730 0.495437 0.203723 0.140 Uiso 0.61(2) 1 calc R U P B 2
C64B C 0.448(2) 0.5716(16) 0.1955(7) 0.106(8) Uani 0.61(2) 1 d . U P B 2
H64B H 0.470269 0.589063 0.208971 0.127 Uiso 0.61(2) 1 calc R U P B 2
C65B C 0.4213(17) 0.592(2) 0.1829(12) 0.102(9) Uani 0.61(2) 1 d . U P B 2
H65B H 0.438583 0.622675 0.177394 0.122 Uiso 0.61(2) 1 calc R U P B 2
C66B C 0.3516(15) 0.5747(15) 0.1721(8) 0.083(8) Uani 0.61(2) 1 d . U P B 2
H66B H 0.317687 0.597321 0.166206 0.100 Uiso 0.61(2) 1 calc R U P B 2
C71 C 0.0305(7) 0.3464(5) 0.0294(3) 0.069(3) Uani 1 1 d . U . . .
C72 C -0.0216(7) 0.3709(5) 0.0168(3) 0.072(4) Uani 1 1 d . U . . .
H72 H -0.054649 0.382761 0.025473 0.086 Uiso 1 1 calc R U . . .
C73 C -0.0287(9) 0.3794(6) -0.0085(3) 0.094(5) Uani 1 1 d . U . . .
H73 H -0.066235 0.394822 -0.017009 0.113 Uiso 1 1 calc R U . . .
C74 C 0.0263(10) 0.3626(7) -0.0206(3) 0.106(5) Uani 1 1 d . U . . .
H74 H 0.026785 0.369006 -0.037332 0.128 Uiso 1 1 calc R U . . .
C75 C 0.0775(10) 0.3372(8) -0.0070(4) 0.113(6) Uani 1 1 d . U . . .
H75 H 0.111476 0.324523 -0.015013 0.136 Uiso 1 1 calc R U . . .
C76 C 0.0808(7) 0.3295(6) 0.0177(3) 0.078(4) Uani 1 1 d . U . . .
H76 H 0.117084 0.312944 0.026407 0.093 Uiso 1 1 calc R U . . .
C81 C 0.1613(7) 0.2833(6) 0.1371(3) 0.072(3) Uani 1 1 d . U . . .
C82 C 0.1056(9) 0.2562(7) 0.1395(5) 0.152(7) Uani 1 1 d . U . . .
H82 H 0.065889 0.274129 0.138564 0.182 Uiso 1 1 calc R U . . .
C83 C 0.1047(11) 0.2075(8) 0.1428(5) 0.163(8) Uani 1 1 d . U . . .
H83 H 0.064994 0.191139 0.144419 0.196 Uiso 1 1 calc R U . . .
C84 C 0.1617(12) 0.1790(8) 0.1440(5) 0.144(8) Uani 1 1 d . U . . .
H84 H 0.163029 0.144228 0.148265 0.173 Uiso 1 1 calc R U . . .
C85 C 0.2105(10) 0.2018(7) 0.1393(5) 0.141(7) Uani 1 1 d . U . . .
H85 H 0.248228 0.182701 0.137744 0.169 Uiso 1 1 calc R U . . .
C86 C 0.2131(8) 0.2558(6) 0.1360(4) 0.118(6) Uani 1 1 d . U . . .
H86 H 0.252214 0.271348 0.132913 0.142 Uiso 1 1 calc R U . . .
C91 C 0.2395(10) 0.5268(9) 0.2420(4) 0.166(7) Uani 1 1 d D U . . .
C92 C 0.3069(12) 0.5253(9) 0.2396(4) 0.264(11) Uani 1 1 d D U . . .
H92 H 0.320113 0.513603 0.224991 0.317 Uiso 1 1 calc DR U . . .
C93 C 0.3524(9) 0.5406(11) 0.2582(5) 0.259(12) Uani 1 1 d D U . . .
H93 H 0.396132 0.544066 0.255459 0.311 Uiso 1 1 calc DR U . . .
C94 C 0.3359(12) 0.5514(12) 0.2815(5) 0.266(13) Uani 1 1 d D U . . .
H94 H 0.366532 0.549489 0.295752 0.320 Uiso 1 1 calc R U . . .
C95 C 0.2726(14) 0.5649(12) 0.2820(4) 0.253(12) Uani 1 1 d D U . . .
H95 H 0.261593 0.587755 0.293867 0.304 Uiso 1 1 calc R U . . .
C96 C 0.2249(10) 0.5451(12) 0.2650(5) 0.258(11) Uani 1 1 d D U . . .
H96 H 0.181597 0.543385 0.268484 0.309 Uiso 1 1 calc R U . . .
C101 C -0.0178(8) 0.6527(6) 0.1006(3) 0.082(4) Uani 1 1 d . U . . .
C102 C -0.0137(9) 0.6835(6) 0.1219(4) 0.099(5) Uani 1 1 d . U . . .
H102 H 0.027179 0.687503 0.131611 0.118 Uiso 1 1 calc R U . . .
C103 C -0.0661(11) 0.7071(7) 0.1286(5) 0.140(7) Uani 1 1 d . U . . .
H103 H -0.062491 0.727964 0.142572 0.168 Uiso 1 1 calc R U . . .
C104 C -0.1239(11) 0.6998(9) 0.1147(6) 0.155(8) Uani 1 1 d . U . . .
H104 H -0.161070 0.714824 0.119793 0.187 Uiso 1 1 calc R U . . .
C105 C -0.1336(10) 0.6702(9) 0.0921(5) 0.153(7) Uani 1 1 d . U . . .
H105 H -0.174297 0.667321 0.082167 0.184 Uiso 1 1 calc R U . . .
C106 C -0.0783(8) 0.6473(7) 0.0867(4) 0.115(5) Uani 1 1 d . U . . .
H106 H -0.081442 0.626575 0.072734 0.138 Uiso 1 1 calc R U . . .
C111 C 0.2168(9) 0.6690(8) 0.1808(4) 0.114(5) Uani 1 1 d . U . . .
C112 C 0.2251(13) 0.7230(9) 0.1791(4) 0.167(8) Uani 1 1 d . U . . .
H112 H 0.197132 0.740920 0.167178 0.201 Uiso 1 1 calc R U . . .
C113 C 0.2755(14) 0.7520(11) 0.1952(5) 0.182(9) Uani 1 1 d . U . . .
H113 H 0.277857 0.787332 0.192735 0.218 Uiso 1 1 calc R U . . .
C114 C 0.3210(12) 0.7297(11) 0.2143(5) 0.174(9) Uani 1 1 d . U . . .
H114 H 0.353262 0.748971 0.223908 0.209 Uiso 1 1 calc R U . . .
C115 C 0.3137(13) 0.6778(11) 0.2174(6) 0.207(10) Uani 1 1 d . U . . .
H115 H 0.341288 0.658861 0.229047 0.249 Uiso 1 1 calc R U . . .
C116 C 0.2588(10) 0.6547(8) 0.2010(5) 0.149(7) Uani 1 1 d . U . . .
H116 H 0.250594 0.621079 0.205644 0.179 Uiso 1 1 calc R U . . .
C121 C -0.1351(7) 0.5149(6) 0.0821(3) 0.073(4) Uani 1 1 d . U . . .
C122 C -0.1842(9) 0.5376(8) 0.0652(4) 0.135(6) Uani 1 1 d . U . . .
H122 H -0.180311 0.540262 0.048532 0.162 Uiso 1 1 calc R U . . .
C123 C -0.2400(11) 0.5561(10) 0.0749(5) 0.165(8) Uani 1 1 d . U . . .
H123 H -0.274797 0.571709 0.064839 0.197 Uiso 1 1 calc R U . . .
C124 C -0.2415(10) 0.5504(9) 0.1007(5) 0.146(7) Uani 1 1 d . U . . .
H124 H -0.279279 0.561835 0.106831 0.175 Uiso 1 1 calc R U . . .
C125 C -0.1913(9) 0.5290(7) 0.1178(4) 0.120(6) Uani 1 1 d . U . . .
H125 H -0.194188 0.526496 0.134528 0.144 Uiso 1 1 calc R U . . .
C126 C -0.1368(8) 0.5119(6) 0.1074(3) 0.092(5) Uani 1 1 d . U . . .
H126 H -0.100806 0.498119 0.117607 0.110 Uiso 1 1 calc R U . . .
C131 C -0.0076(6) 0.5256(4) 0.1617(2) 0.064(3) Uani 1 1 d D U . . .
C132 C -0.0140(18) 0.5783(7) 0.1605(7) 0.072(8) Uani 0.52(4) 1 d D U P C 1
H132 H 0.013737 0.597752 0.151925 0.086 Uiso 0.52(4) 1 calc R U P C 1
C133 C -0.0615(18) 0.6019(9) 0.1719(7) 0.079(8) Uani 0.52(4) 1 d D U P C 1
H133 H -0.070618 0.636664 0.169004 0.094 Uiso 0.52(4) 1 calc R U P C 1
C134 C -0.0953(17) 0.5754(14) 0.1872(7) 0.086(8) Uani 0.52(4) 1 d D U P C 1
H134 H -0.129644 0.591067 0.194035 0.104 Uiso 0.52(4) 1 calc R U P C 1
C135 C -0.078(2) 0.5249(13) 0.1928(7) 0.095(9) Uani 0.52(4) 1 d D U P C 1
H135 H -0.098982 0.506876 0.204310 0.114 Uiso 0.52(4) 1 calc R U P C 1
C136 C -0.031(2) 0.5014(10) 0.1811(6) 0.083(9) Uani 0.52(4) 1 d D U P C 1
H136 H -0.014925 0.469161 0.186343 0.100 Uiso 0.52(4) 1 calc R U P C 1
C232 C -0.0343(15) 0.5711(9) 0.1522(7) 0.064(8) Uani 0.48(4) 1 d D U P C 2
H232 H -0.015654 0.587846 0.139832 0.076 Uiso 0.48(4) 1 calc R U P C 2
C233 C -0.0884(17) 0.5920(12) 0.1609(9) 0.087(8) Uani 0.48(4) 1 d D U P C 2
H233 H -0.105161 0.623621 0.155063 0.105 Uiso 0.48(4) 1 calc R U P C 2
C234 C -0.1172(17) 0.5660(15) 0.1782(8) 0.090(9) Uani 0.48(4) 1 d D U P C 2
H234 H -0.146318 0.582744 0.187164 0.108 Uiso 0.48(4) 1 calc R U P C 2
C235 C -0.1028(16) 0.5148(15) 0.1821(8) 0.089(9) Uani 0.48(4) 1 d D U P C 2
H235 H -0.129274 0.494410 0.190694 0.107 Uiso 0.48(4) 1 calc R U P C 2
C236 C -0.0491(15) 0.4938(10) 0.1732(8) 0.073(8) Uani 0.48(4) 1 d D U P C 2
H236 H -0.040460 0.458721 0.174763 0.088 Uiso 0.48(4) 1 calc R U P C 2
C141 C 0.2999(10) 0.3090(8) 0.2136(4) 0.124(6) Uani 1 1 d . U . . .
C142 C 0.2929(13) 0.2922(10) 0.2376(5) 0.196(9) Uani 1 1 d . U . . .
H142 H 0.277389 0.314572 0.248739 0.235 Uiso 1 1 calc DR U . . .
C143 C 0.3096(16) 0.2406(11) 0.2445(6) 0.218(10) Uani 1 1 d . U . . .
H143 H 0.310653 0.229479 0.260665 0.262 Uiso 1 1 calc R U . . .
C144 C 0.3248(19) 0.2066(12) 0.2255(7) 0.235(11) Uani 1 1 d . U . . .
H144 H 0.332470 0.171957 0.229323 0.282 Uiso 1 1 calc R U . . .
C145 C 0.3283(17) 0.2220(11) 0.2033(6) 0.213(10) Uani 1 1 d . U . . .
H145 H 0.337731 0.199761 0.190982 0.256 Uiso 1 1 calc R U . . .
C146 C 0.3167(14) 0.2756(9) 0.1991(5) 0.178(8) Uani 1 1 d . U . . .
H146 H 0.322419 0.287485 0.183483 0.214 Uiso 1 1 calc R U . . .
C151 C -0.0682(6) 0.3023(6) 0.1287(3) 0.065(3) Uani 1 1 d . U . . .
C152 C -0.0804(9) 0.2829(7) 0.1495(4) 0.119(6) Uani 1 1 d . U . . .
H152 H -0.083202 0.305320 0.162584 0.143 Uiso 1 1 calc R U . . .
C153 C -0.0900(10) 0.2282(8) 0.1534(5) 0.134(7) Uani 1 1 d . U . . .
H153 H -0.099028 0.215804 0.168527 0.161 Uiso 1 1 calc R U . . .
C154 C -0.0855(10) 0.1962(8) 0.1345(5) 0.117(7) Uani 1 1 d . U . . .
H154 H -0.088225 0.160629 0.136096 0.140 Uiso 1 1 calc R U . . .
C155 C -0.0772(11) 0.2171(8) 0.1144(4) 0.128(7) Uani 1 1 d . U . . .
H155 H -0.077403 0.195155 0.100952 0.153 Uiso 1 1 calc R U . . .
C156 C -0.0680(9) 0.2690(7) 0.1100(4) 0.105(5) Uani 1 1 d . U . . .
H156 H -0.061752 0.280449 0.094434 0.126 Uiso 1 1 calc R U . . .
C161 C 0.0626(8) 0.2999(7) 0.2072(4) 0.098(5) Uani 1 1 d . U . . .
C162 C 0.0157(11) 0.2701(8) 0.2138(5) 0.164(8) Uani 1 1 d . U . . .
H162 H -0.025508 0.284668 0.214883 0.196 Uiso 1 1 calc R U . . .
C163 C 0.0246(14) 0.2191(10) 0.2192(6) 0.182(9) Uani 1 1 d . U . . .
H163 H -0.008962 0.201515 0.225537 0.219 Uiso 1 1 calc R U . . .
C164 C 0.0748(13) 0.1952(10) 0.2161(6) 0.179(9) Uani 1 1 d . U . . .
H164 H 0.076484 0.159908 0.219085 0.215 Uiso 1 1 calc R U . . .
C165 C 0.1257(13) 0.2179(9) 0.2089(6) 0.193(9) Uani 1 1 d . U . . .
H165 H 0.163866 0.199747 0.206825 0.231 Uiso 1 1 calc R U . . .
C166 C 0.1201(11) 0.2715(8) 0.2042(5) 0.163(8) Uani 1 1 d . U . . .
H166 H 0.155714 0.288753 0.199071 0.195 Uiso 1 1 calc R U . . .
C201 C 0.1352(8) 0.3895(7) 0.2712(3) 0.090(5) Uani 1 1 d . U . . .
H201 H 0.092703 0.384068 0.263011 0.108 Uiso 1 1 calc R U . . .
C202 C 0.1444(7) 0.3879(6) 0.2967(3) 0.077(4) Uani 1 1 d . U . . .
H202 H 0.108850 0.379415 0.304868 0.092 Uiso 1 1 calc R U . . .
C203 C 0.2021(7) 0.3982(6) 0.3098(3) 0.079(4) Uani 1 1 d D U . . .
C204 C 0.2466(15) 0.4216(16) 0.2962(5) 0.089(8) Uani 0.61(4) 1 d D U P D 1
H204 H 0.283657 0.438119 0.304472 0.106 Uiso 0.61(4) 1 calc R U P D 1
C205 C 0.2370(17) 0.4207(15) 0.2710(5) 0.082(8) Uani 0.61(4) 1 d D U P D 1
H205 H 0.268324 0.435839 0.262401 0.098 Uiso 0.61(4) 1 calc R U P D 1
C304 C 0.2572(19) 0.396(2) 0.2970(9) 0.089(9) Uani 0.39(4) 1 d D U P D 2
H304 H 0.300448 0.398004 0.305044 0.106 Uiso 0.39(4) 1 calc R U P D 2
C305 C 0.243(3) 0.3924(15) 0.2718(9) 0.095(9) Uani 0.39(4) 1 d D U P D 2
H305 H 0.277888 0.385046 0.263217 0.114 Uiso 0.39(4) 1 calc DR U P D 2
C206 C 0.4402(7) 0.3644(6) 0.0498(3) 0.074(4) Uani 1 1 d . U . . .
H206 H 0.421742 0.396170 0.044948 0.089 Uiso 1 1 calc R U . . .
C207 C 0.4780(7) 0.3377(6) 0.0343(3) 0.077(4) Uani 1 1 d . U . . .
H207 H 0.482804 0.351883 0.019064 0.093 Uiso 1 1 calc R U . . .
C208 C 0.5083(6) 0.2909(6) 0.0410(3) 0.061(3) Uani 1 1 d . U . . .
C209 C 0.4959(6) 0.2713(6) 0.0627(3) 0.072(4) Uani 1 1 d . U . . .
H209 H 0.512757 0.239200 0.067873 0.087 Uiso 1 1 calc R U . . .
C210 C 0.4575(7) 0.2992(6) 0.0774(3) 0.076(4) Uani 1 1 d . U . . .
H210 H 0.450732 0.284679 0.092378 0.091 Uiso 1 1 calc R U . . .
C211 C 0.5517(5) 0.2654(5) 0.0254(3) 0.064(4) Uani 1 1 d . U . . .
H21A H 0.529279 0.264153 0.008574 0.077 Uiso 1 1 calc R U . . .
H21B H 0.559248 0.230181 0.031023 0.077 Uiso 1 1 calc R U . . .
C212 C 0.6179(6) 0.2918(5) 0.0255(3) 0.066(4) Uani 1 1 d . U . . .
H21C H 0.643347 0.273717 0.014537 0.080 Uiso 1 1 calc R U . . .
H21D H 0.610757 0.326800 0.019465 0.080 Uiso 1 1 calc R U . . .
C213 C 0.2357(6) 0.7565(5) 0.1139(3) 0.059(4) Uani 1 1 d . U . . .
H213 H 0.269622 0.733098 0.112616 0.070 Uiso 1 1 calc R U . . .
C214 C 0.2511(7) 0.8088(5) 0.1145(2) 0.062(3) Uani 1 1 d . U . . .
H214 H 0.293860 0.819179 0.112794 0.074 Uiso 1 1 calc R U . . .
C215 C 0.2044(7) 0.8454(5) 0.1176(2) 0.052(3) Uani 1 1 d . U . . .
C216 C 0.1417(7) 0.8263(6) 0.1199(3) 0.074(4) Uani 1 1 d . U . . .
H216 H 0.107787 0.848271 0.123070 0.089 Uiso 1 1 calc R U . . .
C217 C 0.1310(7) 0.7718(6) 0.1173(3) 0.075(4) Uani 1 1 d . U . . .
H217 H 0.088149 0.759498 0.117286 0.091 Uiso 1 1 calc R U . . .
C218 C 0.2174(8) 0.9012(5) 0.1211(3) 0.075(4) Uani 1 1 d . U . . .
H21E H 0.180079 0.920697 0.113015 0.090 Uiso 1 1 calc R U . . .
H21F H 0.256239 0.910632 0.113757 0.090 Uiso 1 1 calc R U . . .
C219 C 0.2289(8) 0.9147(6) 0.1496(3) 0.087(5) Uani 1 1 d . U . . .
H21G H 0.229121 0.951821 0.151540 0.104 Uiso 1 1 calc R U . . .
H21H H 0.192167 0.901230 0.157208 0.104 Uiso 1 1 calc R U . . .
C220 C 0.2889(8) 0.8945(7) 0.1624(3) 0.100(5) Uani 1 1 d . U . . .
H22A H 0.325474 0.912344 0.156500 0.120 Uiso 1 1 calc R U . . .
H22B H 0.291940 0.858484 0.157896 0.120 Uiso 1 1 calc R U . . .
C221 C -0.1598(7) 0.3118(6) 0.0543(3) 0.075(4) Uani 1 1 d . U . . .
H221 H -0.122858 0.291668 0.052835 0.090 Uiso 1 1 calc R U . . .
C222 C -0.2218(6) 0.2888(6) 0.0508(3) 0.076(4) Uani 1 1 d . U . . .
H222 H -0.225935 0.253579 0.047873 0.092 Uiso 1 1 calc R U . . .
C223 C -0.2772(7) 0.3187(6) 0.0517(3) 0.068(4) Uani 1 1 d . U . . .
C224 C -0.2660(6) 0.3705(6) 0.0563(3) 0.071(4) Uani 1 1 d . U . . .
H224 H -0.302478 0.392002 0.056371 0.086 Uiso 1 1 calc R U . . .
C225 C -0.2051(6) 0.3918(6) 0.0608(3) 0.070(4) Uani 1 1 d . U . . .
H225 H -0.200530 0.426674 0.064462 0.084 Uiso 1 1 calc R U . . .
C226 C -0.3451(6) 0.2931(5) 0.0501(3) 0.068(4) Uani 1 1 d . U . . .
H22C H -0.339112 0.258017 0.056158 0.081 Uiso 1 1 calc R U . . .
H22D H -0.370975 0.311281 0.060959 0.081 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 N1 2.327(11) . ?
Cd1 Se3 2.588(2) . ?
Cd1 Se1 2.5946(19) . ?
Cd1 Se2 2.6609(19) . ?
Cd2 N2 2.334(12) . ?
Cd2 Se16 2.5934(18) . ?
Cd2 Se14 2.607(2) . ?
Cd2 Se9 2.633(2) . ?
Cd3 N3 2.324(11) . ?
Cd3 Se10 2.5944(18) . ?
Cd3 Se4 2.6058(17) . ?
Cd3 Se11 2.628(2) . ?
Cd4 N4 2.383(10) . ?
Cd4 Se12 2.6036(18) . ?
Cd4 Se15 2.6099(19) . ?
Cd4 Se7 2.6133(17) . ?
Cd5 Se9 2.632(2) . ?
Cd5 Se6 2.6506(17) . ?
Cd5 Se11 2.653(2) . ?
Cd5 Se13 2.6591(17) . ?
Cd6 Se2 2.6410(17) . ?
Cd6 Se5 2.6466(17) . ?
Cd6 Se7 2.6719(18) . ?
Cd6 Se8 2.6832(18) . ?
Ag1 Se12 2.6542(18) . ?
Ag1 Se13 2.6552(18) . ?
Ag1 Se10 2.6715(18) . ?
Ag1 Se5 2.6895(16) . ?
Ag2 Se1 2.6490(18) . ?
Ag2 Se6 2.6518(18) . ?
Ag2 Se5 2.6706(17) . ?
Ag2 Se4 2.6774(17) . ?
Ag3 Se8 2.6558(17) . ?
Ag3 Se16 2.669(2) . ?
Ag3 Se13 2.6883(17) . ?
Ag3 Se15 2.6896(18) . ?
Ag4 Se3 2.6525(19) . ?
Ag4 Se14 2.654(2) . ?
Ag4 Se8 2.6695(17) . ?
Ag4 Se6 2.6855(17) . ?
Se1 C11 1.966(15) . ?
Se2 C21 1.926(17) . ?
Se3 C31B 1.91(2) . ?
Se3 C31A 1.99(3) . ?
Se4 C41 1.908(15) . ?
Se5 C51 1.948(13) . ?
Se6 C61 1.945(15) . ?
Se7 C71 1.930(16) . ?
Se8 C81 1.930(14) . ?
Se9 C91 1.922(16) . ?
Se10 C101 1.904(15) . ?
Se11 C111 1.711(19) . ?
Se12 C121 1.975(15) . ?
Se13 C131 1.944(10) . ?
Se14 C141 1.89(2) . ?
Se15 C151 1.919(15) . ?
Se16 C161 1.929(17) . ?
N1 C210 1.302(16) . ?
N1 C206 1.356(16) . ?
N2 C201 1.302(17) . ?
N2 C305 1.36(6) . ?
N2 C205 1.37(3) . ?
N3 C213 1.289(15) . ?
N3 C217 1.298(15) . ?
N4 C225 1.346(16) . ?
N4 C221 1.356(16) . ?
C11 C12 1.31(2) . ?
C11 C16 1.430(19) . ?
C12 C13 1.46(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.45(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.31(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.36(2) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.375(19) . ?
C21 C22 1.41(2) . ?
C22 C23 1.40(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.37(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.39(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.41(2) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31A C32A 1.364(17) . ?
C31A C36A 1.389(17) . ?
C32A C33A 1.407(17) . ?
C32A H32A 0.9300 . ?
C33A C34A 1.384(17) . ?
C33A H33A 0.9300 . ?
C34A C35A 1.400(18) . ?
C34A H34A 0.9300 . ?
C35A C36A 1.377(17) . ?
C35A H35A 0.9300 . ?
C36A H36A 0.9300 . ?
C31B C32B 1.349(17) . ?
C31B C36B 1.377(17) . ?
C32B C33B 1.403(17) . ?
C32B H32B 0.9300 . ?
C33B C34B 1.354(17) . ?
C33B H33B 0.9300 . ?
C34B C35B 1.364(17) . ?
C34B H34B 0.9300 . ?
C35B C36B 1.373(16) . ?
C35B H35B 0.9300 . ?
C36B H36B 0.9300 . ?
C41 C42 1.357(18) . ?
C41 C46 1.420(18) . ?
C42 C43 1.415(19) . ?
C42 H42 0.9300 . ?
C43 C44 1.39(2) . ?
C43 H43 0.9300 . ?
C44 C45 1.41(2) . ?
C44 H44 0.9300 . ?
C45 C46 1.42(2) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C56 1.369(17) . ?
C51 C52 1.379(17) . ?
C52 C53 1.356(19) . ?
C52 H52 0.9300 . ?
C53 C54 1.37(2) . ?
C53 H53 0.9300 . ?
C54 C55 1.39(2) . ?
C54 H54 0.9300 . ?
C55 C56 1.353(19) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C62A 1.27(4) . ?
C61 C66B 1.31(4) . ?
C61 C66A 1.34(7) . ?
C61 C62B 1.51(3) . ?
C62A C63A 1.51(5) . ?
C62A H62A 0.9300 . ?
C63A C64A 1.20(7) . ?
C63A H63A 0.9300 . ?
C64A C65A 1.79(10) . ?
C64A H64A 0.9300 . ?
C65A C66A 1.18(12) . ?
C65A H65A 0.9300 . ?
C66A H66A 0.9300 . ?
C62B C63B 1.46(4) . ?
C62B H62B 0.9300 . ?
C63B C64B 1.53(5) . ?
C63B H63B 0.9300 . ?
C64B C65B 0.98(6) . ?
C64B H64B 0.9300 . ?
C65B C66B 1.53(5) . ?
C65B H65B 0.9300 . ?
C66B H66B 0.9300 . ?
C71 C72 1.343(18) . ?
C71 C76 1.356(18) . ?
C72 C73 1.39(2) . ?
C72 H72 0.9300 . ?
C73 C74 1.45(2) . ?
C73 H73 0.9300 . ?
C74 C75 1.37(2) . ?
C74 H74 0.9300 . ?
C75 C76 1.36(2) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C86 1.284(19) . ?
C81 C82 1.36(2) . ?
C82 C83 1.28(2) . ?
C82 H82 0.9300 . ?
C83 C84 1.37(3) . ?
C83 H83 0.9300 . ?
C84 C85 1.22(2) . ?
C84 H84 0.9300 . ?
C85 C86 1.41(2) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 C92 1.400(15) . ?
C91 C96 1.414(15) . ?
C92 C93 1.339(16) . ?
C92 H92 0.9300 . ?
C93 C94 1.394(16) . ?
C93 H93 0.9300 . ?
C94 C95 1.343(17) . ?
C94 H94 0.9300 . ?
C95 C96 1.352(15) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C101 C106 1.36(2) . ?
C101 C102 1.41(2) . ?
C102 C103 1.33(2) . ?
C102 H102 0.9300 . ?
C103 C104 1.33(3) . ?
C103 H103 0.9300 . ?
C104 C105 1.45(3) . ?
C104 H104 0.9300 . ?
C105 C106 1.34(2) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C111 C116 1.35(2) . ?
C111 C112 1.41(2) . ?
C112 C113 1.47(3) . ?
C112 H112 0.9300 . ?
C113 C114 1.42(3) . ?
C113 H113 0.9300 . ?
C114 C115 1.37(3) . ?
C114 H114 0.9300 . ?
C115 C116 1.47(3) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C122 1.40(2) . ?
C121 C126 1.40(2) . ?
C122 C123 1.41(3) . ?
C122 H122 0.9300 . ?
C123 C124 1.43(3) . ?
C123 H123 0.9300 . ?
C124 C125 1.40(3) . ?
C124 H124 0.9300 . ?
C125 C126 1.39(2) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C232 1.372(16) . ?
C131 C132 1.375(16) . ?
C131 C136 1.376(16) . ?
C131 C236 1.390(16) . ?
C132 C133 1.370(16) . ?
C132 H132 0.9300 . ?
C133 C134 1.347(16) . ?
C133 H133 0.9300 . ?
C134 C135 1.380(16) . ?
C134 H134 0.9300 . ?
C135 C136 1.372(16) . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C232 C233 1.373(16) . ?
C232 H232 0.9300 . ?
C233 C234 1.357(16) . ?
C233 H233 0.9300 . ?
C234 C235 1.373(16) . ?
C234 H234 0.9300 . ?
C235 C236 1.373(16) . ?
C235 H235 0.9300 . ?
C236 H236 0.9300 . ?
C141 C146 1.26(3) . ?
C141 C142 1.41(3) . ?
C142 C143 1.42(3) . ?
C142 H142 0.9300 . ?
C143 C144 1.43(4) . ?
C143 H143 0.9300 . ?
C144 C145 1.29(3) . ?
C144 H144 0.9300 . ?
C145 C146 1.42(3) . ?
C145 H145 0.9300 . ?
C146 H146 0.9300 . ?
C151 C152 1.30(2) . ?
C151 C156 1.34(2) . ?
C152 C153 1.45(2) . ?
C152 H152 0.9300 . ?
C153 C154 1.34(3) . ?
C153 H153 0.9300 . ?
C154 C155 1.26(2) . ?
C154 H154 0.9300 . ?
C155 C156 1.39(2) . ?
C155 H155 0.9300 . ?
C156 H156 0.9300 . ?
C161 C162 1.32(2) . ?
C161 C166 1.41(2) . ?
C162 C163 1.36(3) . ?
C162 H162 0.9300 . ?
C163 C164 1.23(3) . ?
C163 H163 0.9300 . ?
C164 C165 1.30(3) . ?
C164 H164 0.9300 . ?
C165 C166 1.42(3) . ?
C165 H165 0.9300 . ?
C166 H166 0.9300 . ?
C201 C202 1.382(19) . ?
C201 H201 0.9300 . ?
C202 C203 1.318(19) . ?
C202 H202 0.9300 . ?
C203 C204 1.388(17) . ?
C203 C304 1.404(19) . ?
C203 C220 1.514(19) 4_545 ?
C204 C205 1.371(18) . ?
C204 H204 0.9300 . ?
C205 H205 0.9300 . ?
C304 C305 1.377(19) . ?
C304 H304 0.9300 . ?
C305 H305 0.9300 . ?
C206 C207 1.405(18) . ?
C206 H206 0.9300 . ?
C207 C208 1.388(18) . ?
C207 H207 0.9300 . ?
C208 C209 1.350(18) . ?
C208 C211 1.469(17) . ?
C209 C210 1.402(18) . ?
C209 H209 0.9300 . ?
C210 H210 0.9300 . ?
C211 C212 1.514(15) . ?
C211 H21A 0.9700 . ?
C211 H21B 0.9700 . ?
C212 C226 1.451(17) 1_655 ?
C212 H21C 0.9700 . ?
C212 H21D 0.9700 . ?
C213 C214 1.393(16) . ?
C213 H213 0.9300 . ?
C214 C215 1.373(17) . ?
C214 H214 0.9300 . ?
C215 C216 1.394(17) . ?
C215 C218 1.479(17) . ?
C216 C217 1.436(18) . ?
C216 H216 0.9300 . ?
C217 H217 0.9300 . ?
C218 C219 1.585(19) . ?
C218 H21E 0.9700 . ?
C218 H21F 0.9700 . ?
C219 C220 1.42(2) . ?
C219 H21G 0.9700 . ?
C219 H21H 0.9700 . ?
C220 H22A 0.9700 . ?
C220 H22B 0.9700 . ?
C221 C222 1.388(17) . ?
C221 H221 0.9300 . ?
C222 C223 1.378(18) . ?
C222 H222 0.9300 . ?
C223 C224 1.381(18) . ?
C223 C226 1.527(17) . ?
C224 C225 1.350(17) . ?
C224 H224 0.9300 . ?
C225 H225 0.9300 . ?
C226 H22C 0.9700 . ?
C226 H22D 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Cd1 Se3 108.9(3) . . ?
N1 Cd1 Se1 100.7(3) . . ?
Se3 Cd1 Se1 130.13(7) . . ?
N1 Cd1 Se2 94.3(3) . . ?
Se3 Cd1 Se2 99.14(7) . . ?
Se1 Cd1 Se2 117.92(7) . . ?
N2 Cd2 Se16 103.6(3) . . ?
N2 Cd2 Se14 99.6(3) . . ?
Se16 Cd2 Se14 131.74(7) . . ?
N2 Cd2 Se9 95.1(3) . . ?
Se16 Cd2 Se9 110.97(7) . . ?
Se14 Cd2 Se9 108.36(7) . . ?
N3 Cd3 Se10 108.6(3) . . ?
N3 Cd3 Se4 99.8(3) . . ?
Se10 Cd3 Se4 114.08(6) . . ?
N3 Cd3 Se11 102.8(3) . . ?
Se10 Cd3 Se11 112.35(6) . . ?
Se4 Cd3 Se11 117.31(7) . . ?
N4 Cd4 Se12 101.8(3) . . ?
N4 Cd4 Se15 101.5(3) . . ?
Se12 Cd4 Se15 115.97(6) . . ?
N4 Cd4 Se7 101.1(3) . . ?
Se12 Cd4 Se7 120.99(6) . . ?
Se15 Cd4 Se7 111.45(6) . . ?
Se9 Cd5 Se6 110.80(6) . . ?
Se9 Cd5 Se11 111.17(7) . . ?
Se6 Cd5 Se11 120.09(6) . . ?
Se9 Cd5 Se13 104.60(6) . . ?
Se6 Cd5 Se13 103.32(6) . . ?
Se11 Cd5 Se13 105.20(6) . . ?
Se2 Cd6 Se5 118.05(6) . . ?
Se2 Cd6 Se7 112.46(6) . . ?
Se5 Cd6 Se7 115.03(6) . . ?
Se2 Cd6 Se8 100.03(6) . . ?
Se5 Cd6 Se8 101.57(6) . . ?
Se7 Cd6 Se8 107.14(6) . . ?
Se12 Ag1 Se13 120.95(6) . . ?
Se12 Ag1 Se10 104.00(6) . . ?
Se13 Ag1 Se10 117.84(6) . . ?
Se12 Ag1 Se5 105.66(6) . . ?
Se13 Ag1 Se5 100.78(5) . . ?
Se10 Ag1 Se5 106.04(5) . . ?
Se1 Ag2 Se6 121.49(6) . . ?
Se1 Ag2 Se5 106.23(6) . . ?
Se6 Ag2 Se5 102.99(5) . . ?
Se1 Ag2 Se4 109.79(6) . . ?
Se6 Ag2 Se4 103.39(6) . . ?
Se5 Ag2 Se4 112.98(6) . . ?
Se8 Ag3 Se16 119.02(6) . . ?
Se8 Ag3 Se13 102.68(6) . . ?
Se16 Ag3 Se13 110.32(6) . . ?
Se8 Ag3 Se15 114.69(6) . . ?
Se16 Ag3 Se15 110.48(6) . . ?
Se13 Ag3 Se15 96.90(6) . . ?
Se3 Ag4 Se14 112.89(7) . . ?
Se3 Ag4 Se8 108.04(6) . . ?
Se14 Ag4 Se8 113.49(6) . . ?
Se3 Ag4 Se6 116.50(6) . . ?
Se14 Ag4 Se6 102.02(6) . . ?
Se8 Ag4 Se6 103.64(6) . . ?
C11 Se1 Cd1 102.3(5) . . ?
C11 Se1 Ag2 106.6(5) . . ?
Cd1 Se1 Ag2 98.07(6) . . ?
C21 Se2 Cd6 110.0(4) . . ?
C21 Se2 Cd1 96.7(4) . . ?
Cd6 Se2 Cd1 103.45(6) . . ?
C31B Se3 Cd1 113.4(11) . . ?
C31A Se3 Cd1 105.3(10) . . ?
C31B Se3 Ag4 114.2(12) . . ?
C31A Se3 Ag4 95.2(11) . . ?
Cd1 Se3 Ag4 100.51(6) . . ?
C41 Se4 Cd3 105.6(4) . . ?
C41 Se4 Ag2 105.3(4) . . ?
Cd3 Se4 Ag2 106.47(6) . . ?
C51 Se5 Cd6 104.1(4) . . ?
C51 Se5 Ag2 105.1(4) . . ?
Cd6 Se5 Ag2 112.40(6) . . ?
C51 Se5 Ag1 106.5(3) . . ?
Cd6 Se5 Ag1 113.93(6) . . ?
Ag2 Se5 Ag1 113.68(6) . . ?
C61 Se6 Cd5 101.7(5) . . ?
C61 Se6 Ag2 109.5(5) . . ?
Cd5 Se6 Ag2 112.47(6) . . ?
C61 Se6 Ag4 109.4(5) . . ?
Cd5 Se6 Ag4 115.50(6) . . ?
Ag2 Se6 Ag4 108.05(6) . . ?
C71 Se7 Cd4 106.4(4) . . ?
C71 Se7 Cd6 105.9(4) . . ?
Cd4 Se7 Cd6 100.48(6) . . ?
C81 Se8 Ag3 107.5(4) . . ?
C81 Se8 Ag4 105.6(4) . . ?
Ag3 Se8 Ag4 112.28(6) . . ?
C81 Se8 Cd6 105.6(5) . . ?
Ag3 Se8 Cd6 113.13(6) . . ?
Ag4 Se8 Cd6 112.06(6) . . ?
C91 Se9 Cd5 120.9(7) . . ?
C91 Se9 Cd2 103.6(7) . . ?
Cd5 Se9 Cd2 103.99(7) . . ?
C101 Se10 Cd3 109.0(6) . . ?
C101 Se10 Ag1 103.6(4) . . ?
Cd3 Se10 Ag1 102.75(6) . . ?
C111 Se11 Cd3 104.5(6) . . ?
C111 Se11 Cd5 107.1(7) . . ?
Cd3 Se11 Cd5 100.98(7) . . ?
C121 Se12 Cd4 101.6(4) . . ?
C121 Se12 Ag1 105.8(5) . . ?
Cd4 Se12 Ag1 96.20(6) . . ?
C131 Se13 Ag1 108.7(4) . . ?
C131 Se13 Cd5 101.2(4) . . ?
Ag1 Se13 Cd5 110.54(6) . . ?
C131 Se13 Ag3 107.2(3) . . ?
Ag1 Se13 Ag3 115.24(6) . . ?
Cd5 Se13 Ag3 112.97(6) . . ?
C141 Se14 Cd2 111.7(6) . . ?
C141 Se14 Ag4 107.8(7) . . ?
Cd2 Se14 Ag4 102.43(6) . . ?
C151 Se15 Cd4 105.6(5) . . ?
C151 Se15 Ag3 100.9(4) . . ?
Cd4 Se15 Ag3 107.81(6) . . ?
C161 Se16 Cd2 102.5(5) . . ?
C161 Se16 Ag3 109.1(6) . . ?
Cd2 Se16 Ag3 93.18(6) . . ?
C210 N1 C206 116.7(12) . . ?
C210 N1 Cd1 122.7(10) . . ?
C206 N1 Cd1 119.8(9) . . ?
C201 N2 C305 111(3) . . ?
C201 N2 C205 113.7(18) . . ?
C201 N2 Cd2 125.3(11) . . ?
C305 N2 Cd2 123(2) . . ?
C205 N2 Cd2 116.3(14) . . ?
C213 N3 C217 117.2(12) . . ?
C213 N3 Cd3 119.1(9) . . ?
C217 N3 Cd3 123.1(9) . . ?
C225 N4 C221 118.3(11) . . ?
C225 N4 Cd4 116.4(9) . . ?
C221 N4 Cd4 122.1(9) . . ?
C12 C11 C16 124.1(16) . . ?
C12 C11 Se1 117.7(12) . . ?
C16 C11 Se1 117.1(13) . . ?
C11 C12 C13 112.9(18) . . ?
C11 C12 H12 123.5 . . ?
C13 C12 H12 123.5 . . ?
C14 C13 C12 120(2) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 124(2) . . ?
C15 C14 H14 117.9 . . ?
C13 C14 H14 117.9 . . ?
C14 C15 C16 115(2) . . ?
C14 C15 H15 122.5 . . ?
C16 C15 H15 122.5 . . ?
C15 C16 C11 123(2) . . ?
C15 C16 H16 118.5 . . ?
C11 C16 H16 118.5 . . ?
C26 C21 C22 119.0(18) . . ?
C26 C21 Se2 117.9(14) . . ?
C22 C21 Se2 123.1(12) . . ?
C23 C22 C21 122.9(18) . . ?
C23 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
C24 C23 C22 116(2) . . ?
C24 C23 H23 122.1 . . ?
C22 C23 H23 122.1 . . ?
C23 C24 C25 124(2) . . ?
C23 C24 H24 118.2 . . ?
C25 C24 H24 118.2 . . ?
C24 C25 C26 119(2) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C21 C26 C25 119.4(19) . . ?
C21 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C32A C31A C36A 118.5(16) . . ?
C32A C31A Se3 123(2) . . ?
C36A C31A Se3 112(2) . . ?
C31A C32A C33A 117.6(18) . . ?
C31A C32A H32A 121.2 . . ?
C33A C32A H32A 121.2 . . ?
C34A C33A C32A 116.6(15) . . ?
C34A C33A H33A 121.7 . . ?
C32A C33A H33A 121.7 . . ?
C33A C34A C35A 116.4(17) . . ?
C33A C34A H34A 121.8 . . ?
C35A C34A H34A 121.8 . . ?
C36A C35A C34A 116.6(18) . . ?
C36A C35A H35A 121.7 . . ?
C34A C35A H35A 121.7 . . ?
C35A C36A C31A 116.4(15) . . ?
C35A C36A H36A 121.8 . . ?
C31A C36A H36A 121.8 . . ?
C32B C31B C36B 119.4(16) . . ?
C32B C31B Se3 123(2) . . ?
C36B C31B Se3 117(2) . . ?
C31B C32B C33B 118.8(15) . . ?
C31B C32B H32B 120.6 . . ?
C33B C32B H32B 120.6 . . ?
C34B C33B C32B 119.6(15) . . ?
C34B C33B H33B 120.2 . . ?
C32B C33B H33B 120.2 . . ?
C33B C34B C35B 120.9(15) . . ?
C33B C34B H34B 119.6 . . ?
C35B C34B H34B 119.6 . . ?
C34B C35B C36B 118.8(15) . . ?
C34B C35B H35B 120.6 . . ?
C36B C35B H35B 120.6 . . ?
C35B C36B C31B 120.2(15) . . ?
C35B C36B H36B 119.9 . . ?
C31B C36B H36B 119.9 . . ?
C42 C41 C46 120.8(15) . . ?
C42 C41 Se4 123.3(11) . . ?
C46 C41 Se4 115.9(12) . . ?
C41 C42 C43 119.8(14) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
C44 C43 C42 120.6(16) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 120.4(17) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C44 C45 C46 118.5(16) . . ?
C44 C45 H45 120.8 . . ?
C46 C45 H45 120.8 . . ?
C45 C46 C41 119.9(16) . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C56 C51 C52 122.0(13) . . ?
C56 C51 Se5 119.5(10) . . ?
C52 C51 Se5 118.5(10) . . ?
C53 C52 C51 118.3(14) . . ?
C53 C52 H52 120.9 . . ?
C51 C52 H52 120.9 . . ?
C52 C53 C54 122.3(16) . . ?
C52 C53 H53 118.9 . . ?
C54 C53 H53 118.9 . . ?
C53 C54 C55 116.8(16) . . ?
C53 C54 H54 121.6 . . ?
C55 C54 H54 121.6 . . ?
C56 C55 C54 123.1(15) . . ?
C56 C55 H55 118.4 . . ?
C54 C55 H55 118.4 . . ?
C55 C56 C51 117.4(14) . . ?
C55 C56 H56 121.3 . . ?
C51 C56 H56 121.3 . . ?
C62A C61 C66A 106(4) . . ?
C66B C61 C62B 124(2) . . ?
C62A C61 Se6 122(2) . . ?
C66B C61 Se6 119.9(19) . . ?
C66A C61 Se6 132(3) . . ?
C62B C61 Se6 113.8(15) . . ?
C61 C62A C63A 129(4) . . ?
C61 C62A H62A 115.4 . . ?
C63A C62A H62A 115.4 . . ?
C64A C63A C62A 122(5) . . ?
C64A C63A H63A 119.1 . . ?
C62A C63A H63A 119.1 . . ?
C63A C64A C65A 102(5) . . ?
C63A C64A H64A 129.1 . . ?
C65A C64A H64A 129.1 . . ?
C66A C65A C64A 108(8) . . ?
C66A C65A H65A 126.0 . . ?
C64A C65A H65A 126.0 . . ?
C65A C66A C61 129(10) . . ?
C65A C66A H66A 115.6 . . ?
C61 C66A H66A 115.6 . . ?
C63B C62B C61 111(2) . . ?
C63B C62B H62B 124.6 . . ?
C61 C62B H62B 124.6 . . ?
C62B C63B C64B 113(3) . . ?
C62B C63B H63B 123.3 . . ?
C64B C63B H63B 123.3 . . ?
C65B C64B C63B 126(5) . . ?
C65B C64B H64B 117.2 . . ?
C63B C64B H64B 117.2 . . ?
C64B C65B C66B 120(6) . . ?
C64B C65B H65B 120.0 . . ?
C66B C65B H65B 120.0 . . ?
C61 C66B C65B 113(4) . . ?
C61 C66B H66B 123.4 . . ?
C65B C66B H66B 123.4 . . ?
C72 C71 C76 120.6(16) . . ?
C72 C71 Se7 121.5(12) . . ?
C76 C71 Se7 118.0(12) . . ?
C71 C72 C73 123.5(16) . . ?
C71 C72 H72 118.2 . . ?
C73 C72 H72 118.2 . . ?
C72 C73 C74 115.4(17) . . ?
C72 C73 H73 122.3 . . ?
C74 C73 H73 122.3 . . ?
C75 C74 C73 118.5(18) . . ?
C75 C74 H74 120.8 . . ?
C73 C74 H74 120.8 . . ?
C76 C75 C74 122.9(19) . . ?
C76 C75 H75 118.6 . . ?
C74 C75 H75 118.6 . . ?
C71 C76 C75 119.1(17) . . ?
C71 C76 H76 120.5 . . ?
C75 C76 H76 120.5 . . ?
C86 C81 C82 115.0(16) . . ?
C86 C81 Se8 123.4(13) . . ?
C82 C81 Se8 121.5(13) . . ?
C83 C82 C81 124(2) . . ?
C83 C82 H82 118.2 . . ?
C81 C82 H82 118.2 . . ?
C82 C83 C84 121(2) . . ?
C82 C83 H83 119.6 . . ?
C84 C83 H83 119.6 . . ?
C85 C84 C83 116(2) . . ?
C85 C84 H84 122.0 . . ?
C83 C84 H84 122.0 . . ?
C84 C85 C86 124(2) . . ?
C84 C85 H85 118.1 . . ?
C86 C85 H85 118.1 . . ?
C81 C86 C85 119.9(17) . . ?
C81 C86 H86 120.1 . . ?
C85 C86 H86 120.1 . . ?
C92 C91 C96 115.1(12) . . ?
C92 C91 Se9 126.5(17) . . ?
C96 C91 Se9 118.3(17) . . ?
C93 C92 C91 120.4(14) . . ?
C93 C92 H92 119.8 . . ?
C91 C92 H92 119.8 . . ?
C92 C93 C94 121.8(15) . . ?
C92 C93 H93 119.1 . . ?
C94 C93 H93 119.1 . . ?
C95 C94 C93 115.1(15) . . ?
C95 C94 H94 122.4 . . ?
C93 C94 H94 122.4 . . ?
C94 C95 C96 119.4(16) . . ?
C94 C95 H95 120.3 . . ?
C96 C95 H95 120.3 . . ?
C95 C96 C91 121.3(14) . . ?
C95 C96 H96 119.4 . . ?
C91 C96 H96 119.4 . . ?
C106 C101 C102 117.8(16) . . ?
C106 C101 Se10 119.1(15) . . ?
C102 C101 Se10 122.9(13) . . ?
C103 C102 C101 122(2) . . ?
C103 C102 H102 118.9 . . ?
C101 C102 H102 118.9 . . ?
C104 C103 C102 117(2) . . ?
C104 C103 H103 121.3 . . ?
C102 C103 H103 121.3 . . ?
C103 C104 C105 125(2) . . ?
C103 C104 H104 117.5 . . ?
C105 C104 H104 117.5 . . ?
C106 C105 C104 114(2) . . ?
C106 C105 H105 123.1 . . ?
C104 C105 H105 123.1 . . ?
C105 C106 C101 124(2) . . ?
C105 C106 H106 118.1 . . ?
C101 C106 H106 118.1 . . ?
C116 C111 C112 105(2) . . ?
C116 C111 Se11 131.2(15) . . ?
C112 C111 Se11 121.0(17) . . ?
C111 C112 C113 123(2) . . ?
C111 C112 H112 118.4 . . ?
C113 C112 H112 118.4 . . ?
C114 C113 C112 124(3) . . ?
C114 C113 H113 117.8 . . ?
C112 C113 H113 117.8 . . ?
C115 C114 C113 115(3) . . ?
C115 C114 H114 122.5 . . ?
C113 C114 H114 122.5 . . ?
C114 C115 C116 114(3) . . ?
C114 C115 H115 122.8 . . ?
C116 C115 H115 122.8 . . ?
C111 C116 C115 137(2) . . ?
C111 C116 H116 111.5 . . ?
C115 C116 H116 111.5 . . ?
C122 C121 C126 124.5(17) . . ?
C122 C121 Se12 114.5(15) . . ?
C126 C121 Se12 120.8(12) . . ?
C121 C122 C123 116(2) . . ?
C121 C122 H122 122.0 . . ?
C123 C122 H122 122.0 . . ?
C122 C123 C124 118(2) . . ?
C122 C123 H123 121.0 . . ?
C124 C123 H123 121.0 . . ?
C125 C124 C123 126(2) . . ?
C125 C124 H124 117.0 . . ?
C123 C124 H124 117.0 . . ?
C126 C125 C124 114(2) . . ?
C126 C125 H125 122.9 . . ?
C124 C125 H125 122.9 . . ?
C125 C126 C121 121.3(18) . . ?
C125 C126 H126 119.4 . . ?
C121 C126 H126 119.4 . . ?
C132 C131 C136 116.9(14) . . ?
C232 C131 C236 116.6(14) . . ?
C232 C131 Se13 117.9(14) . . ?
C132 C131 Se13 117.6(13) . . ?
C136 C131 Se13 120.4(14) . . ?
C236 C131 Se13 118.7(14) . . ?
C133 C132 C131 119.3(14) . . ?
C133 C132 H132 120.4 . . ?
C131 C132 H132 120.4 . . ?
C134 C133 C132 120.9(14) . . ?
C134 C133 H133 119.5 . . ?
C132 C133 H133 119.5 . . ?
C133 C134 C135 119.2(14) . . ?
C133 C134 H134 120.4 . . ?
C135 C134 H134 120.4 . . ?
C136 C135 C134 119.4(14) . . ?
C136 C135 H135 120.3 . . ?
C134 C135 H135 120.3 . . ?
C135 C136 C131 120.0(14) . . ?
C135 C136 H136 120.0 . . ?
C131 C136 H136 120.0 . . ?
C131 C232 C233 120.2(14) . . ?
C131 C232 H232 119.9 . . ?
C233 C232 H232 119.9 . . ?
C234 C233 C232 119.5(14) . . ?
C234 C233 H233 120.2 . . ?
C232 C233 H233 120.2 . . ?
C233 C234 C235 119.0(15) . . ?
C233 C234 H234 120.5 . . ?
C235 C234 H234 120.5 . . ?
C234 C235 C236 119.5(14) . . ?
C234 C235 H235 120.2 . . ?
C236 C235 H235 120.2 . . ?
C235 C236 C131 119.4(14) . . ?
C235 C236 H236 120.3 . . ?
C131 C236 H236 120.3 . . ?
C146 C141 C142 117(2) . . ?
C146 C141 Se14 126(2) . . ?
C142 C141 Se14 117.7(19) . . ?
C141 C142 C143 119(3) . . ?
C141 C142 H142 120.4 . . ?
C143 C142 H142 120.4 . . ?
C142 C143 C144 117(3) . . ?
C142 C143 H143 121.3 . . ?
C144 C143 H143 121.4 . . ?
C145 C144 C143 122(3) . . ?
C145 C144 H144 118.8 . . ?
C143 C144 H144 118.8 . . ?
C144 C145 C146 115(3) . . ?
C144 C145 H145 122.3 . . ?
C146 C145 H145 122.3 . . ?
C141 C146 C145 128(3) . . ?
C141 C146 H146 115.8 . . ?
C145 C146 H146 115.8 . . ?
C152 C151 C156 116.1(17) . . ?
C152 C151 Se15 117.6(14) . . ?
C156 C151 Se15 126.0(14) . . ?
C151 C152 C153 124(2) . . ?
C151 C152 H152 118.2 . . ?
C153 C152 H152 118.2 . . ?
C154 C153 C152 118(2) . . ?
C154 C153 H153 121.1 . . ?
C152 C153 H153 121.1 . . ?
C155 C154 C153 116(2) . . ?
C155 C154 H154 121.9 . . ?
C153 C154 H154 121.9 . . ?
C154 C155 C156 127(2) . . ?
C154 C155 H155 116.3 . . ?
C156 C155 H155 116.3 . . ?
C151 C156 C155 118.8(19) . . ?
C151 C156 H156 120.6 . . ?
C155 C156 H156 120.6 . . ?
C162 C161 C166 111.9(19) . . ?
C162 C161 Se16 122.8(17) . . ?
C166 C161 Se16 125.3(14) . . ?
C161 C162 C163 123(2) . . ?
C161 C162 H162 118.5 . . ?
C163 C162 H162 118.5 . . ?
C164 C163 C162 123(3) . . ?
C164 C163 H163 118.3 . . ?
C162 C163 H163 118.3 . . ?
C163 C164 C165 122(3) . . ?
C163 C164 H164 119.1 . . ?
C165 C164 H164 119.1 . . ?
C164 C165 C166 117(3) . . ?
C164 C165 H165 121.6 . . ?
C166 C165 H165 121.6 . . ?
C161 C166 C165 123(2) . . ?
C161 C166 H166 118.7 . . ?
C165 C166 H166 118.7 . . ?
N2 C201 C202 123.7(15) . . ?
N2 C201 H201 118.1 . . ?
C202 C201 H201 118.1 . . ?
C203 C202 C201 121.9(15) . . ?
C203 C202 H202 119.0 . . ?
C201 C202 H202 119.0 . . ?
C202 C203 C204 113.6(19) . . ?
C202 C203 C304 116(3) . . ?
C202 C203 C220 120.5(14) . 4_545 ?
C204 C203 C220 124.7(19) . 4_545 ?
C205 C204 C203 121(3) . . ?
C205 C204 H204 119.4 . . ?
C203 C204 H204 119.4 . . ?
N2 C205 C204 121(3) . . ?
N2 C205 H205 119.3 . . ?
C204 C205 H205 119.3 . . ?
C305 C304 C203 115(4) . . ?
C305 C304 H304 122.4 . . ?
C203 C304 H304 122.4 . . ?
N2 C305 C304 127(5) . . ?
N2 C305 H305 116.6 . . ?
C304 C305 H305 116.6 . . ?
N1 C206 C207 120.2(14) . . ?
N1 C206 H206 119.9 . . ?
C207 C206 H206 119.9 . . ?
C208 C207 C206 122.4(14) . . ?
C208 C207 H207 118.8 . . ?
C206 C207 H207 118.8 . . ?
C209 C208 C207 115.4(13) . . ?
C209 C208 C211 122.8(14) . . ?
C207 C208 C211 121.7(14) . . ?
C208 C209 C210 119.9(14) . . ?
C208 C209 H209 120.0 . . ?
C210 C209 H209 120.0 . . ?
N1 C210 C209 125.3(14) . . ?
N1 C210 H210 117.4 . . ?
C209 C210 H210 117.4 . . ?
C208 C211 C212 113.6(11) . . ?
C208 C211 H21A 108.8 . . ?
C212 C211 H21A 108.8 . . ?
C208 C211 H21B 108.8 . . ?
C212 C211 H21B 108.8 . . ?
H21A C211 H21B 107.7 . . ?
C226 C212 C211 111.4(12) 1_655 . ?
C226 C212 H21C 109.3 1_655 . ?
C211 C212 H21C 109.3 . . ?
C226 C212 H21D 109.3 1_655 . ?
C211 C212 H21D 109.3 . . ?
H21C C212 H21D 108.0 . . ?
N3 C213 C214 123.8(13) . . ?
N3 C213 H213 118.1 . . ?
C214 C213 H213 118.1 . . ?
C215 C214 C213 121.3(14) . . ?
C215 C214 H214 119.4 . . ?
C213 C214 H214 119.4 . . ?
C214 C215 C216 115.3(13) . . ?
C214 C215 C218 125.3(13) . . ?
C216 C215 C218 119.1(13) . . ?
C215 C216 C217 118.0(13) . . ?
C215 C216 H216 121.0 . . ?
C217 C216 H216 121.0 . . ?
N3 C217 C216 124.1(13) . . ?
N3 C217 H217 117.9 . . ?
C216 C217 H217 117.9 . . ?
C215 C218 C219 110.1(11) . . ?
C215 C218 H21E 109.6 . . ?
C219 C218 H21E 109.6 . . ?
C215 C218 H21F 109.6 . . ?
C219 C218 H21F 109.6 . . ?
H21E C218 H21F 108.1 . . ?
C220 C219 C218 113.6(14) . . ?
C220 C219 H21G 108.8 . . ?
C218 C219 H21G 108.8 . . ?
C220 C219 H21H 108.8 . . ?
C218 C219 H21H 108.8 . . ?
H21G C219 H21H 107.7 . . ?
C219 C220 C203 116.5(15) . 4 ?
C219 C220 H22A 108.2 . . ?
C203 C220 H22A 108.2 4 . ?
C219 C220 H22B 108.2 . . ?
C203 C220 H22B 108.2 4 . ?
H22A C220 H22B 107.3 . . ?
N4 C221 C222 122.4(13) . . ?
N4 C221 H221 118.8 . . ?
C222 C221 H221 118.8 . . ?
C223 C222 C221 119.3(15) . . ?
C223 C222 H222 120.3 . . ?
C221 C222 H222 120.3 . . ?
C222 C223 C224 116.0(13) . . ?
C222 C223 C226 119.6(14) . . ?
C224 C223 C226 124.1(13) . . ?
C225 C224 C223 123.7(14) . . ?
C225 C224 H224 118.1 . . ?
C223 C224 H224 118.1 . . ?
N4 C225 C224 120.0(14) . . ?
N4 C225 H225 120.0 . . ?
C224 C225 H225 120.0 . . ?
C212 C226 C223 114.5(12) 1_455 . ?
C212 C226 H22C 108.6 1_455 . ?
C223 C226 H22C 108.6 . . ?
C212 C226 H22D 108.6 1_455 . ?
C223 C226 H22D 108.6 . . ?
H22C C226 H22D 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 C11 C12 C13 -14(3) . . . . ?
Se1 C11 C12 C13 178.0(17) . . . . ?
C11 C12 C13 C14 9(4) . . . . ?
C12 C13 C14 C15 0(5) . . . . ?
C13 C14 C15 C16 -5(4) . . . . ?
C14 C15 C16 C11 1(4) . . . . ?
C12 C11 C16 C15 10(3) . . . . ?
Se1 C11 C16 C15 177.8(18) . . . . ?
C26 C21 C22 C23 0(3) . . . . ?
Se2 C21 C22 C23 -178.2(15) . . . . ?
C21 C22 C23 C24 -2(3) . . . . ?
C22 C23 C24 C25 2(3) . . . . ?
C23 C24 C25 C26 0(4) . . . . ?
C22 C21 C26 C25 2(2) . . . . ?
Se2 C21 C26 C25 -179.5(14) . . . . ?
C24 C25 C26 C21 -2(3) . . . . ?
C36A C31A C32A C33A -34(6) . . . . ?
Se3 C31A C32A C33A 177(3) . . . . ?
C31A C32A C33A C34A 22(7) . . . . ?
C32A C33A C34A C35A 16(7) . . . . ?
C33A C34A C35A C36A -42(6) . . . . ?
C34A C35A C36A C31A 29(6) . . . . ?
C32A C31A C36A C35A 8(6) . . . . ?
Se3 C31A C36A C35A 160(3) . . . . ?
C36B C31B C32B C33B 17(7) . . . . ?
Se3 C31B C32B C33B -174(3) . . . . ?
C31B C32B C33B C34B -11(7) . . . . ?
C32B C33B C34B C35B 6(7) . . . . ?
C33B C34B C35B C36B -6(8) . . . . ?
C34B C35B C36B C31B 11(7) . . . . ?
C32B C31B C36B C35B -17(7) . . . . ?
Se3 C31B C36B C35B 173(4) . . . . ?
C46 C41 C42 C43 0(2) . . . . ?
Se4 C41 C42 C43 -179.1(11) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 C45 1(3) . . . . ?
C43 C44 C45 C46 -2(3) . . . . ?
C44 C45 C46 C41 2(3) . . . . ?
C42 C41 C46 C45 -1(2) . . . . ?
Se4 C41 C46 C45 178.1(13) . . . . ?
C56 C51 C52 C53 -4(2) . . . . ?
Se5 C51 C52 C53 179.7(11) . . . . ?
C51 C52 C53 C54 3(2) . . . . ?
C52 C53 C54 C55 -2(3) . . . . ?
C53 C54 C55 C56 2(3) . . . . ?
C54 C55 C56 C51 -2(2) . . . . ?
C52 C51 C56 C55 3(2) . . . . ?
Se5 C51 C56 C55 179.6(11) . . . . ?
C66A C61 C62A C63A 1(5) . . . . ?
Se6 C61 C62A C63A -174(2) . . . . ?
C61 C62A C63A C64A -8(7) . . . . ?
C62A C63A C64A C65A 28(7) . . . . ?
C63A C64A C65A C66A -50(9) . . . . ?
C64A C65A C66A C61 58(10) . . . . ?
C62A C61 C66A C65A -34(9) . . . . ?
Se6 C61 C66A C65A 139(7) . . . . ?
C66B C61 C62B C63B 18(4) . . . . ?
Se6 C61 C62B C63B -178.7(19) . . . . ?
C61 C62B C63B C64B -9(4) . . . . ?
C62B C63B C64B C65B -24(7) . . . . ?
C63B C64B C65B C66B 44(9) . . . . ?
C62B C61 C66B C65B -3(5) . . . . ?
Se6 C61 C66B C65B -166(3) . . . . ?
C64B C65B C66B C61 -30(8) . . . . ?
C76 C71 C72 C73 2(2) . . . . ?
Se7 C71 C72 C73 -177.4(12) . . . . ?
C71 C72 C73 C74 -3(2) . . . . ?
C72 C73 C74 C75 4(3) . . . . ?
C73 C74 C75 C76 -4(3) . . . . ?
C72 C71 C76 C75 -1(2) . . . . ?
Se7 C71 C76 C75 178.4(13) . . . . ?
C74 C75 C76 C71 2(3) . . . . ?
C86 C81 C82 C83 7(4) . . . . ?
Se8 C81 C82 C83 -177(2) . . . . ?
C81 C82 C83 C84 -1(4) . . . . ?
C82 C83 C84 C85 -7(5) . . . . ?
C83 C84 C85 C86 9(4) . . . . ?
C82 C81 C86 C85 -6(3) . . . . ?
Se8 C81 C86 C85 178.5(16) . . . . ?
C84 C85 C86 C81 -2(4) . . . . ?
C96 C91 C92 C93 0(2) . . . . ?
Se9 C91 C92 C93 176.2(19) . . . . ?
C91 C92 C93 C94 9(2) . . . . ?
C92 C93 C94 C95 -25(4) . . . . ?
C93 C94 C95 C96 31(5) . . . . ?
C94 C95 C96 C91 -24(5) . . . . ?
C92 C91 C96 C95 7(4) . . . . ?
Se9 C91 C96 C95 -169(2) . . . . ?
C106 C101 C102 C103 0(3) . . . . ?
Se10 C101 C102 C103 174.7(14) . . . . ?
C101 C102 C103 C104 1(3) . . . . ?
C102 C103 C104 C105 -3(4) . . . . ?
C103 C104 C105 C106 4(4) . . . . ?
C104 C105 C106 C101 -2(3) . . . . ?
C102 C101 C106 C105 1(3) . . . . ?
Se10 C101 C106 C105 -174.2(16) . . . . ?
Cd3 Se11 C111 C116 -135(2) . . . . ?
Cd5 Se11 C111 C116 -29(3) . . . . ?
Cd3 Se11 C111 C112 66.2(19) . . . . ?
Cd5 Se11 C111 C112 172.8(16) . . . . ?
C116 C111 C112 C113 6(3) . . . . ?
Se11 C111 C112 C113 169(2) . . . . ?
C111 C112 C113 C114 -1(4) . . . . ?
C112 C113 C114 C115 -2(5) . . . . ?
C113 C114 C115 C116 -2(4) . . . . ?
C112 C111 C116 C115 -12(4) . . . . ?
Se11 C111 C116 C115 -173(3) . . . . ?
C114 C115 C116 C111 11(5) . . . . ?
C126 C121 C122 C123 -3(3) . . . . ?
Se12 C121 C122 C123 -177.8(16) . . . . ?
C121 C122 C123 C124 0(3) . . . . ?
C122 C123 C124 C125 2(4) . . . . ?
C123 C124 C125 C126 -1(4) . . . . ?
C124 C125 C126 C121 -2(3) . . . . ?
C122 C121 C126 C125 4(3) . . . . ?
Se12 C121 C126 C125 178.6(12) . . . . ?
C136 C131 C132 C133 -23(5) . . . . ?
Se13 C131 C132 C133 -178(2) . . . . ?
C131 C132 C133 C134 10(5) . . . . ?
C132 C133 C134 C135 4(5) . . . . ?
C133 C134 C135 C136 -5(5) . . . . ?
C134 C135 C136 C131 -9(5) . . . . ?
C132 C131 C136 C135 23(5) . . . . ?
Se13 C131 C136 C135 177(2) . . . . ?
C236 C131 C232 C233 22(5) . . . . ?
Se13 C131 C232 C233 173(3) . . . . ?
C131 C232 C233 C234 -3(5) . . . . ?
C232 C233 C234 C235 -16(6) . . . . ?
C233 C234 C235 C236 15(6) . . . . ?
C234 C235 C236 C131 4(5) . . . . ?
C232 C131 C236 C235 -23(5) . . . . ?
Se13 C131 C236 C235 -173(3) . . . . ?
Cd2 Se14 C141 C146 126(2) . . . . ?
Ag4 Se14 C141 C146 14(3) . . . . ?
Cd2 Se14 C141 C142 -55(2) . . . . ?
Ag4 Se14 C141 C142 -166.8(18) . . . . ?
C146 C141 C142 C143 5(4) . . . . ?
Se14 C141 C142 C143 -174(2) . . . . ?
C141 C142 C143 C144 -8(5) . . . . ?
C142 C143 C144 C145 5(6) . . . . ?
C143 C144 C145 C146 1(6) . . . . ?
C142 C141 C146 C145 2(5) . . . . ?
Se14 C141 C146 C145 -179(2) . . . . ?
C144 C145 C146 C141 -5(6) . . . . ?
C156 C151 C152 C153 3(3) . . . . ?
Se15 C151 C152 C153 176.9(15) . . . . ?
C151 C152 C153 C154 0(3) . . . . ?
C152 C153 C154 C155 -4(3) . . . . ?
C153 C154 C155 C156 5(4) . . . . ?
C152 C151 C156 C155 -3(3) . . . . ?
Se15 C151 C156 C155 -176.3(13) . . . . ?
C154 C155 C156 C151 -1(4) . . . . ?
C166 C161 C162 C163 5(4) . . . . ?
Se16 C161 C162 C163 -177(2) . . . . ?
C161 C162 C163 C164 -7(5) . . . . ?
C162 C163 C164 C165 5(6) . . . . ?
C163 C164 C165 C166 -1(5) . . . . ?
C162 C161 C166 C165 -2(4) . . . . ?
Se16 C161 C166 C165 -180(2) . . . . ?
C164 C165 C166 C161 0(4) . . . . ?
C305 N2 C201 C202 15(3) . . . . ?
C205 N2 C201 C202 -19(3) . . . . ?
Cd2 N2 C201 C202 -173.8(12) . . . . ?
N2 C201 C202 C203 4(3) . . . . ?
C201 C202 C203 C204 14(3) . . . . ?
C201 C202 C203 C304 -17(4) . . . . ?
C201 C202 C203 C220 -178.0(16) . . . 4_545 ?
C202 C203 C204 C205 -17(4) . . . . ?
C220 C203 C204 C205 176(2) 4_545 . . . ?
C201 N2 C205 C204 16(4) . . . . ?
Cd2 N2 C205 C204 173(2) . . . . ?
C203 C204 C205 N2 2(4) . . . . ?
C202 C203 C304 C305 10(5) . . . . ?
C220 C203 C304 C305 171(3) 4_545 . . . ?
C201 N2 C305 C304 -23(5) . . . . ?
Cd2 N2 C305 C304 165(3) . . . . ?
C203 C304 C305 N2 11(6) . . . . ?
C210 N1 C206 C207 0(2) . . . . ?
Cd1 N1 C206 C207 -170.6(11) . . . . ?
N1 C206 C207 C208 -2(2) . . . . ?
C206 C207 C208 C209 4(2) . . . . ?
C206 C207 C208 C211 -175.3(13) . . . . ?
C207 C208 C209 C210 -3(2) . . . . ?
C211 C208 C209 C210 175.8(13) . . . . ?
C206 N1 C210 C209 1(2) . . . . ?
Cd1 N1 C210 C209 170.7(11) . . . . ?
C208 C209 C210 N1 1(2) . . . . ?
C209 C208 C211 C212 -107.0(17) . . . . ?
C207 C208 C211 C212 72.0(18) . . . . ?
C208 C211 C212 C226 60.8(17) . . . 1_655 ?
C217 N3 C213 C214 -2(2) . . . . ?
Cd3 N3 C213 C214 -172.7(10) . . . . ?
N3 C213 C214 C215 3(2) . . . . ?
C213 C214 C215 C216 -0.3(19) . . . . ?
C213 C214 C215 C218 173.2(12) . . . . ?
C214 C215 C216 C217 -3.9(19) . . . . ?
C218 C215 C216 C217 -177.8(12) . . . . ?
C213 N3 C217 C216 -3(2) . . . . ?
Cd3 N3 C217 C216 167.7(11) . . . . ?
C215 C216 C217 N3 6(2) . . . . ?
C214 C215 C218 C219 -94.9(16) . . . . ?
C216 C215 C218 C219 78.4(16) . . . . ?
C215 C218 C219 C220 69.1(18) . . . . ?
C218 C219 C220 C203 -170.2(13) . . . 4 ?
C225 N4 C221 C222 -3(2) . . . . ?
Cd4 N4 C221 C222 155.8(12) . . . . ?
N4 C221 C222 C223 3(2) . . . . ?
C221 C222 C223 C224 0(2) . . . . ?
C221 C222 C223 C226 -174.8(14) . . . . ?
C222 C223 C224 C225 -3(2) . . . . ?
C226 C223 C224 C225 171.5(14) . . . . ?
C221 N4 C225 C224 0(2) . . . . ?
Cd4 N4 C225 C224 -160.0(11) . . . . ?
C223 C224 C225 N4 3(2) . . . . ?
C222 C223 C226 C212 -95.3(17) . . . 1_455 ?
C224 C223 C226 C212 90.7(18) . . . 1_455 ?

_refine_diff_density_max         2.413
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.161



