#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:49:50 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224113 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/95/7049529.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7049529
loop_
_publ_author_name
'Xu, Chao'
'Sheng, Ming-Ming'
'Shi, Hua-Tian'
'Strømme, Maria'
'Zhang, Qian-Feng'
_publ_section_title
;
 Interlinking supertetrahedral chalcogenolate clusters with bipyridines to
 form two-dimensional coordination polymers for photocatalytic degradation
 of organic dye.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5505
_journal_page_last               5510
_journal_paper_doi               10.1039/c9dt00480g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C122 H108 Ag4 Cd6 N4 Se16, C15 H35 N5 O5'
_chemical_formula_sum            'C137 H143 Ag4 Cd6 N9 O5 Se16'
_chemical_formula_weight         4364.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-03-20 deposited with the CCDC.    2019-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.96
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.407
_cell_length_b                   25.953
_cell_length_c                   54.744
_cell_measurement_reflns_used    8218
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.37
_cell_measurement_theta_min      2.25
_cell_volume                     28714.320
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1189
_diffrn_reflns_av_unetI/netI     0.1499
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_number            118851
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.370
_exptl_absorpt_coefficient_mu    5.513
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
The Ratio of minimum to maximum transmission is 0.451.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.019
_exptl_crystal_description       flake
_exptl_crystal_F_000             16704
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.227
_exptl_crystal_size_min          0.058
_refine_diff_density_max         2.413
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1535
_refine_ls_number_reflns         25295
_refine_ls_number_restraints     1848
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.1977
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0993P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.2088
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10395
_reflns_number_total             25295
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00480g2.cif
_cod_data_source_block           c2c_Se
_cod_depositor_comments
'Adding full bibliography for 7049526--7049529.cif.'
_cod_original_cell_volume        28715.2
_cod_database_code               7049529
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.334
_shelx_estimated_absorpt_t_max   0.740
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.35519(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 . . .
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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_4
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
