#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/05/7010580.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_7010580
loop_
_publ_author_name
'Tang, Kaluo'
'Jin, Xianglin'
'Yan, He'
'Xie, Xiangjin'
'Liu, Chunling'
'Gong, Qihuang'
_publ_section_title
;
 Synthesis, crystal structure and optical limiting property of a novel
 octanuclear silver cluster complex with an aryl selenolate ligand
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1374
_journal_paper_doi               10.1039/b100565k
_journal_year                    2001
_chemical_formula_sum            'C120 H184 Ag8 Se8'
_chemical_formula_weight         3121.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.70(3)
_cell_angle_beta                 90.96(3)
_cell_angle_gamma                96.63(3)
_cell_formula_units_Z            2
_cell_length_a                   20.051(4)
_cell_length_b                   21.300(4)
_cell_length_c                   15.898(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6297(3)
_computing_cell_refinement
;Molecular Structure Corporation (1994)
MSC/AFC Diffractometer Control Software
MSC, 3200 Research Forest Drive, The
Woodlands, TX 77381 USA.
;
_computing_data_collection
;Molecular Structure Corporation (1994)
MSC/AFC Diffractometer Control Software
MSC, 3200 Research Forest Drive, The
Woodlands, TX 77381, USA.
;
_computing_data_reduction
;Sheldrick, G. M. (1997) SHELXS97, Program
for the Solution of Crystal Structure,
University of Gottingen, Germany.
;
_computing_molecular_graphics
;Interactive Molecular Graphics XP, Virsion
4.2 for MSDOS (1990), Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin,
USA.
;
_computing_publication_material
;Sheldrick, G. M. (1997) SHELXL97, Program
for the refinement of Crystal Structure,
University of Gottingen, Germany.
;
_computing_structure_refinement
;Sheldrick, G. M. (1997) SHELXL97, Program
for the Refinement of Crystal Structure,
University of Gottingen, Germany.
;
_computing_structure_solution
;Sheldrick, G. M. (1997) SHELXS97, Program
for the Solution of Crystal Structure,
University of Gottingen, Germany.
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku Raxis'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0993
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21676
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    3.572
_exptl_absorpt_correction_T_max  1.2207
_exptl_absorpt_correction_T_min  0.8605
_exptl_absorpt_correction_type   'ABSCOR by T. HigaSHI, 1995'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.965
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       0.00020(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1274
_refine_ls_number_reflns         21676
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0847P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1470
_refine_ls_wR_factor_ref         0.1647
_reflns_number_gt                14086
_reflns_number_total             21676
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b100565k.txt
_cod_data_source_block           j136
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0847P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0847P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6297(2)
_cod_database_code               7010580
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.73718(4) 0.32903(4) 0.37547(5) 0.0440(2) Uani 1 d . . .
Ag2 Ag 0.71218(4) 0.11169(4) 0.34113(5) 0.04066(19) Uani 1 d . . .
Ag3 Ag 0.77061(4) 0.18704(4) 0.65102(5) 0.04139(19) Uani 1 d . . .
Ag4 Ag 0.76845(4) 0.38349(4) 0.63678(5) 0.04193(19) Uani 1 d . . .
Ag5 Ag 0.82967(4) 0.25776(4) 0.52293(5) 0.03945(18) Uani 1 d . . .
Ag6 Ag 0.66836(3) 0.25015(4) 0.48378(5) 0.03731(18) Uani 1 d . . .
Ag7 Ag 0.75448(4) 0.45945(4) 0.51919(4) 0.03946(19) Uani 1 d . . .
Ag8 Ag 0.73148(3) 0.05272(4) 0.48217(4) 0.03578(18) Uani 1 d . . .
Se1 Se 0.80927(4) 0.23783(4) 0.36208(6) 0.0314(2) Uani 1 d . . .
Se2 Se 0.86394(5) 0.28365(5) 0.68250(6) 0.0370(2) Uani 1 d . . .
Se3 Se 0.64054(4) 0.19427(4) 0.31868(6) 0.0301(2) Uani 1 d . . .
Se4 Se 0.68203(5) 0.29399(5) 0.65087(6) 0.0366(2) Uani 1 d . . .
Se5 Se 0.68368(5) 0.43102(5) 0.37675(6) 0.0347(2) Uani 1 d . . .
Se6 Se 0.83728(5) 0.49308(5) 0.65183(6) 0.0371(2) Uani 1 d . . .
Se7 Se 0.76479(4) 0.00703(4) 0.32240(6) 0.0307(2) Uani 1 d . . .
Se8 Se 0.69436(4) 0.08239(5) 0.63990(6) 0.0350(2) Uani 1 d . . .
C1 C 0.8983(4) 0.2525(4) 0.3184(5) 0.0264(18) Uani 1 d . . .
C2 C 0.9397(4) 0.3128(4) 0.3523(6) 0.0300(19) Uani 1 d . . .
C3 C 1.0015(4) 0.3177(5) 0.3136(6) 0.038(2) Uani 1 d . . .
H3 H 1.0301 0.3584 0.3360 0.045 Uiso 1 calc R . .
C4 C 1.0217(5) 0.2644(5) 0.2433(6) 0.040(2) Uani 1 d . . .
C5 C 0.9787(4) 0.2041(4) 0.2114(6) 0.037(2) Uani 1 d . . .
H5 H 0.9916 0.1677 0.1647 0.044 Uiso 1 calc R . .
C6 C 0.9163(4) 0.1962(4) 0.2470(5) 0.0283(19) Uani 1 d . . .
C7 C 0.9243(4) 0.3753(4) 0.4268(6) 0.034(2) Uani 1 d . . .
H7 H 0.8831 0.3617 0.4516 0.041 Uiso 1 calc R . .
C8 C 0.9077(5) 0.4296(5) 0.3914(7) 0.051(3) Uani 1 d . . .
H8A H 0.9469 0.4457 0.3675 0.076 Uiso 1 calc R . .
H8B H 0.8933 0.4665 0.4395 0.076 Uiso 1 calc R . .
H8C H 0.8723 0.4108 0.3446 0.076 Uiso 1 calc R . .
C9 C 0.9771(6) 0.4045(5) 0.5058(7) 0.058(3) Uani 1 d . . .
H9A H 0.9868 0.3693 0.5270 0.087 Uiso 1 calc R . .
H9B H 0.9601 0.4398 0.5537 0.087 Uiso 1 calc R . .
H9C H 1.0174 0.4228 0.4865 0.087 Uiso 1 calc R . .
C10 C 1.0891(5) 0.2706(5) 0.2045(8) 0.056(3) Uani 1 d . . .
H10 H 1.1033 0.3192 0.2199 0.068 Uiso 1 calc R . .
C11 C 1.0867(6) 0.2388(6) 0.1025(8) 0.066(3) Uani 1 d . . .
H11A H 1.0773 0.1905 0.0844 0.098 Uiso 1 calc R . .
H11B H 1.1292 0.2505 0.0814 0.098 Uiso 1 calc R . .
H11C H 1.0519 0.2554 0.0770 0.098 Uiso 1 calc R . .
C12 C 1.1423(5) 0.2445(6) 0.2469(9) 0.079(4) Uani 1 d . . .
H12A H 1.1423 0.2646 0.3113 0.118 Uiso 1 calc R . .
H12B H 1.1856 0.2563 0.2277 0.118 Uiso 1 calc R . .
H12C H 1.1328 0.1962 0.2286 0.118 Uiso 1 calc R . .
C13 C 0.8708(4) 0.1301(4) 0.2085(6) 0.033(2) Uani 1 d . . .
H13 H 0.8453 0.1240 0.2577 0.040 Uiso 1 calc R . .
C14 C 0.8202(5) 0.1347(5) 0.1383(6) 0.047(3) Uani 1 d . . .
H14A H 0.7960 0.1725 0.1655 0.071 Uiso 1 calc R . .
H14B H 0.7891 0.0938 0.1165 0.071 Uiso 1 calc R . .
H14C H 0.8437 0.1407 0.0891 0.071 Uiso 1 calc R . .
C15 C 0.9079(5) 0.0676(4) 0.1682(6) 0.039(2) Uani 1 d . . .
H15A H 0.9314 0.0709 0.1175 0.059 Uiso 1 calc R . .
H15B H 0.8758 0.0274 0.1489 0.059 Uiso 1 calc R . .
H15C H 0.9394 0.0656 0.2130 0.059 Uiso 1 calc R . .
C21 C 0.9395(4) 0.2357(4) 0.6927(6) 0.0305(19) Uani 1 d . . .
C22 C 0.9835(5) 0.2108(4) 0.6248(6) 0.034(2) Uani 1 d . . .
C23 C 1.0311(4) 0.1735(4) 0.6405(6) 0.035(2) Uani 1 d . . .
H23 H 1.0594 0.1552 0.5948 0.042 Uiso 1 calc R . .
C24 C 1.0391(4) 0.1618(4) 0.7190(6) 0.035(2) Uani 1 d . . .
C25 C 0.9997(5) 0.1919(5) 0.7877(6) 0.040(2) Uani 1 d . . .
H25 H 1.0074 0.1880 0.8433 0.048 Uiso 1 calc R . .
C26 C 0.9482(4) 0.2284(5) 0.7774(6) 0.035(2) Uani 1 d . . .
C27 C 0.9793(5) 0.2187(5) 0.5328(6) 0.040(2) Uani 1 d . . .
H27 H 0.9508 0.2540 0.5372 0.048 Uiso 1 calc R . .
C28 C 1.0488(5) 0.2409(6) 0.5051(7) 0.053(3) Uani 1 d . . .
H28A H 1.0714 0.2786 0.5542 0.080 Uiso 1 calc R . .
H28B H 1.0431 0.2539 0.4537 0.080 Uiso 1 calc R . .
H28C H 1.0751 0.2039 0.4901 0.080 Uiso 1 calc R . .
C29 C 0.9469(5) 0.1526(5) 0.4575(6) 0.049(3) Uani 1 d . . .
H29A H 0.9429 0.1604 0.4019 0.073 Uiso 1 calc R . .
H29B H 0.9032 0.1390 0.4737 0.073 Uiso 1 calc R . .
H29C H 0.9748 0.1175 0.4505 0.073 Uiso 1 calc R . .
C30 C 1.0907(4) 0.1156(5) 0.7249(6) 0.042(2) Uani 1 d . . .
H30 H 1.1265 0.1195 0.6852 0.050 Uiso 1 calc R . .
C31 C 1.0571(5) 0.0428(5) 0.6899(7) 0.049(3) Uani 1 d . . .
H31A H 1.0196 0.0384 0.7252 0.073 Uiso 1 calc R . .
H31B H 1.0889 0.0136 0.6944 0.073 Uiso 1 calc R . .
H31C H 1.0415 0.0304 0.6281 0.073 Uiso 1 calc R . .
C32 C 1.1229(6) 0.1345(6) 0.8204(7) 0.066(3) Uani 1 d . . .
H32A H 1.1387 0.1820 0.8444 0.099 Uiso 1 calc R . .
H32B H 1.1601 0.1094 0.8181 0.099 Uiso 1 calc R . .
H32C H 1.0902 0.1237 0.8582 0.099 Uiso 1 calc R . .
C33 C 0.9070(5) 0.2593(5) 0.8557(6) 0.046(3) Uani 1 d . . .
H33 H 0.8695 0.2762 0.8336 0.055 Uiso 1 calc R . .
C34 C 0.9434(11) 0.3155(10) 0.9281(12) 0.231(16) Uani 1 d . . .
H34A H 0.9357 0.3096 0.9844 0.347 Uiso 1 calc R . .
H34B H 0.9281 0.3569 0.9294 0.347 Uiso 1 calc R . .
H34C H 0.9906 0.3174 0.9186 0.347 Uiso 1 calc R . .
C35 C 0.8787(11) 0.2134(7) 0.8984(14) 0.217(15) Uani 1 d . . .
H35A H 0.9127 0.2075 0.9371 0.326 Uiso 1 calc R . .
H35B H 0.8622 0.1705 0.8531 0.326 Uiso 1 calc R . .
H35C H 0.8423 0.2319 0.9334 0.326 Uiso 1 calc R . .
C41 C 0.5433(4) 0.1706(5) 0.3166(6) 0.032(2) Uani 1 d . . .
C42 C 0.5048(5) 0.2021(5) 0.2710(6) 0.037(2) Uani 1 d . . .
C43 C 0.4360(4) 0.1900(4) 0.2703(6) 0.034(2) Uani 1 d . . .
H43 H 0.4104 0.2124 0.2435 0.041 Uiso 1 calc R . .
C44 C 0.4019(4) 0.1456(4) 0.3079(6) 0.0312(19) Uani 1 d . . .
C45 C 0.4413(4) 0.1160(4) 0.3495(6) 0.032(2) Uani 1 d . . .
H45 H 0.4201 0.0867 0.3753 0.038 Uiso 1 calc R . .
C46 C 0.5116(4) 0.1268(4) 0.3558(6) 0.033(2) Uani 1 d . . .
C47 C 0.5366(5) 0.2460(6) 0.2215(8) 0.050(3) Uani 1 d . . .
H47 H 0.5815 0.2657 0.2501 0.060 Uiso 1 calc R . .
C48 C 0.4977(6) 0.3040(6) 0.2233(10) 0.085(5) Uani 1 d . . .
H48A H 0.4572 0.2862 0.1851 0.127 Uiso 1 calc R . .
H48B H 0.5250 0.3347 0.2020 0.127 Uiso 1 calc R . .
H48C H 0.4865 0.3277 0.2838 0.127 Uiso 1 calc R . .
C49 C 0.5446(8) 0.2014(8) 0.1264(9) 0.098(5) Uani 1 d . . .
H49A H 0.5683 0.1647 0.1264 0.148 Uiso 1 calc R . .
H49B H 0.5697 0.2273 0.0961 0.148 Uiso 1 calc R . .
H49C H 0.5011 0.1837 0.0957 0.148 Uiso 1 calc R . .
C50 C 0.3265(4) 0.1359(5) 0.3060(6) 0.036(2) Uani 1 d . . .
H50 H 0.3132 0.0971 0.3243 0.043 Uiso 1 calc R . .
C51 C 0.2997(5) 0.1967(5) 0.3735(7) 0.050(3) Uani 1 d . . .
H51A H 0.3137 0.2363 0.3594 0.074 Uiso 1 calc R . .
H51B H 0.3171 0.2035 0.4331 0.074 Uiso 1 calc R . .
H51C H 0.2515 0.1888 0.3705 0.074 Uiso 1 calc R . .
C52 C 0.2932(5) 0.1194(6) 0.2125(7) 0.057(3) Uani 1 d . . .
H52A H 0.2992 0.1590 0.1963 0.086 Uiso 1 calc R . .
H52B H 0.2460 0.1051 0.2127 0.086 Uiso 1 calc R . .
H52C H 0.3135 0.0838 0.1695 0.086 Uiso 1 calc R . .
C53 C 0.5482(5) 0.0886(5) 0.4033(7) 0.049(3) Uani 1 d . . .
H53 H 0.5965 0.1005 0.3999 0.059 Uiso 1 calc R . .
C54 C 0.5327(7) 0.0134(6) 0.3573(8) 0.079(4) Uani 1 d . . .
H54A H 0.5560 -0.0087 0.3897 0.119 Uiso 1 calc R . .
H54B H 0.5470 0.0006 0.2968 0.119 Uiso 1 calc R . .
H54C H 0.4852 0.0002 0.3557 0.119 Uiso 1 calc R . .
C55 C 0.5350(6) 0.1081(6) 0.5023(7) 0.061(3) Uani 1 d . . .
H55A H 0.5521 0.1548 0.5336 0.092 Uiso 1 calc R . .
H55B H 0.5570 0.0804 0.5272 0.092 Uiso 1 calc R . .
H55C H 0.4874 0.1014 0.5087 0.092 Uiso 1 calc R . .
C61 C 0.6140(4) 0.3510(4) 0.7100(6) 0.0302(19) Uani 1 d . . .
C62 C 0.6304(5) 0.3915(4) 0.8034(6) 0.038(2) Uani 1 d . . .
C63 C 0.5824(6) 0.4294(5) 0.8477(7) 0.048(3) Uani 1 d . . .
H63 H 0.5919 0.4556 0.9083 0.058 Uiso 1 calc R . .
C64 C 0.5199(6) 0.4316(5) 0.8086(6) 0.045(2) Uani 1 d . . .
C65 C 0.5085(5) 0.3928(4) 0.7187(6) 0.038(2) Uani 1 d . . .
H65 H 0.4686 0.3943 0.6892 0.046 Uiso 1 calc R . .
C66 C 0.5533(5) 0.3518(4) 0.6704(6) 0.036(2) Uani 1 d . . .
C67 C 0.6954(4) 0.3937(5) 0.8528(6) 0.040(2) Uani 1 d . . .
H67 H 0.7305 0.3921 0.8102 0.048 Uiso 1 calc R . .
C68 C 0.6977(6) 0.3317(6) 0.8796(7) 0.057(3) Uani 1 d . . .
H68A H 0.6643 0.3311 0.9220 0.085 Uiso 1 calc R . .
H68B H 0.7415 0.3337 0.9066 0.085 Uiso 1 calc R . .
H68C H 0.6888 0.2913 0.8270 0.085 Uiso 1 calc R . .
C69 C 0.7153(6) 0.4581(5) 0.9341(7) 0.058(3) Uani 1 d . . .
H69A H 0.7124 0.4968 0.9171 0.087 Uiso 1 calc R . .
H69B H 0.7606 0.4590 0.9554 0.087 Uiso 1 calc R . .
H69C H 0.6855 0.4592 0.9811 0.087 Uiso 1 calc R . .
C70 C 0.4709(6) 0.4764(6) 0.8625(7) 0.064(3) Uani 1 d . . .
H70 H 0.4703 0.4703 0.9208 0.076 Uiso 1 calc R . .
C71 C 0.4951(8) 0.5504(6) 0.8826(11) 0.106(6) Uani 1 d . . .
H71A H 0.5409 0.5605 0.9066 0.159 Uiso 1 calc R . .
H71B H 0.4675 0.5777 0.9258 0.159 Uiso 1 calc R . .
H71C H 0.4922 0.5600 0.8281 0.159 Uiso 1 calc R . .
C72 C 0.4002(6) 0.4596(8) 0.8245(10) 0.094(5) Uani 1 d . . .
H72A H 0.3957 0.4767 0.7766 0.140 Uiso 1 calc R . .
H72B H 0.3709 0.4798 0.8708 0.140 Uiso 1 calc R . .
H72C H 0.3882 0.4113 0.8013 0.140 Uiso 1 calc R . .
C73 C 0.5316(4) 0.3100(5) 0.5694(6) 0.039(2) Uani 1 d . . .
H73 H 0.5610 0.2745 0.5493 0.046 Uiso 1 calc R . .
C74 C 0.5450(7) 0.3534(6) 0.5133(7) 0.071(4) Uani 1 d . . .
H74A H 0.5377 0.3258 0.4506 0.107 Uiso 1 calc R . .
H74B H 0.5908 0.3748 0.5252 0.107 Uiso 1 calc R . .
H74C H 0.5153 0.3875 0.5281 0.107 Uiso 1 calc R . .
C75 C 0.4617(6) 0.2751(6) 0.5567(8) 0.074(4) Uani 1 d . . .
H75A H 0.4307 0.3078 0.5671 0.111 Uiso 1 calc R . .
H75B H 0.4554 0.2519 0.5985 0.111 Uiso 1 calc R . .
H75C H 0.4539 0.2429 0.4963 0.111 Uiso 1 calc R . .
C81 C 0.7493(4) 0.4757(4) 0.3196(5) 0.0294(19) Uani 1 d . . .
C82 C 0.7683(5) 0.5457(5) 0.3596(6) 0.040(2) Uani 1 d . . .
C83 C 0.8159(5) 0.5775(5) 0.3177(6) 0.049(3) Uani 1 d . . .
H83 H 0.8295 0.6238 0.3442 0.058 Uiso 1 calc R . .
C84 C 0.8428(5) 0.5409(5) 0.2380(6) 0.048(3) Uani 1 d . . .
C85 C 0.8204(5) 0.4726(5) 0.1983(6) 0.042(2) Uani 1 d . . .
H85 H 0.8378 0.4481 0.1444 0.050 Uiso 1 calc R . .
C86 C 0.7725(5) 0.4387(5) 0.2358(6) 0.035(2) Uani 1 d . . .
C87 C 0.7410(5) 0.5901(5) 0.4453(6) 0.046(2) Uani 1 d . . .
H87 H 0.7184 0.5601 0.4735 0.055 Uiso 1 calc R . .
C88 C 0.6886(9) 0.6284(9) 0.4237(10) 0.132(8) Uani 1 d . . .
H88A H 0.7104 0.6658 0.4097 0.197 Uiso 1 calc R . .
H88B H 0.6622 0.6451 0.4749 0.197 Uiso 1 calc R . .
H88C H 0.6599 0.5988 0.3730 0.197 Uiso 1 calc R . .
C89 C 0.7951(6) 0.6379(6) 0.5134(8) 0.084(5) Uani 1 d . . .
H89A H 0.8259 0.6121 0.5296 0.126 Uiso 1 calc R . .
H89B H 0.7745 0.6641 0.5663 0.126 Uiso 1 calc R . .
H89C H 0.8190 0.6676 0.4875 0.126 Uiso 1 calc R . .
C90 C 0.8984(7) 0.5763(6) 0.1989(8) 0.069(4) Uani 1 d . . .
H90 H 0.9064 0.5446 0.1392 0.083 Uiso 1 calc R . .
C91 C 0.9639(6) 0.5939(6) 0.2561(8) 0.065(3) Uani 1 d . . .
H91A H 0.9990 0.6103 0.2259 0.097 Uiso 1 calc R . .
H91B H 0.9754 0.5542 0.2654 0.097 Uiso 1 calc R . .
H91C H 0.9588 0.6282 0.3133 0.097 Uiso 1 calc R . .
C92 C 0.8766(7) 0.6383(7) 0.1869(10) 0.088(5) Uani 1 d . . .
H92A H 0.8701 0.6711 0.2447 0.132 Uiso 1 calc R . .
H92B H 0.8352 0.6259 0.1503 0.132 Uiso 1 calc R . .
H92C H 0.9107 0.6574 0.1579 0.132 Uiso 1 calc R . .
C93 C 0.7503(6) 0.3648(5) 0.1845(6) 0.050(3) Uani 1 d . . .
H93 H 0.7410 0.3438 0.2296 0.060 Uiso 1 calc R . .
C94 C 0.6838(6) 0.3559(6) 0.1310(8) 0.075(4) Uani 1 d . . .
H94A H 0.6505 0.3757 0.1714 0.113 Uiso 1 calc R . .
H94B H 0.6691 0.3086 0.1001 0.113 Uiso 1 calc R . .
H94C H 0.6898 0.3780 0.0879 0.113 Uiso 1 calc R . .
C95 C 0.8029(7) 0.3261(6) 0.1249(8) 0.074(4) Uani 1 d . . .
H95A H 0.8089 0.3406 0.0745 0.111 Uiso 1 calc R . .
H95B H 0.7876 0.2784 0.1035 0.111 Uiso 1 calc R . .
H95C H 0.8449 0.3352 0.1595 0.111 Uiso 1 calc R . .
C101 C 0.8039(5) 0.5501(5) 0.7651(6) 0.037(2) Uani 1 d . . .
C102 C 0.8443(4) 0.5617(4) 0.8440(6) 0.035(2) Uani 1 d . . .
C103 C 0.8269(5) 0.6068(5) 0.9239(6) 0.039(2) Uani 1 d . . .
H103 H 0.8548 0.6159 0.9752 0.047 Uiso 1 calc R . .
C104 C 0.7697(5) 0.6398(5) 0.9326(6) 0.039(2) Uani 1 d . . .
C105 C 0.7296(4) 0.6253(5) 0.8534(6) 0.035(2) Uani 1 d . . .
H105 H 0.6902 0.6450 0.8566 0.042 Uiso 1 calc R . .
C106 C 0.7464(4) 0.5830(4) 0.7708(6) 0.034(2) Uani 1 d . . .
C107 C 0.9079(5) 0.5280(5) 0.8424(6) 0.041(2) Uani 1 d . . .
H107 H 0.9048 0.4874 0.7879 0.050 Uiso 1 calc R . .
C108 C 0.9692(5) 0.5762(6) 0.8395(10) 0.079(4) Uani 1 d . . .
H10A H 0.9694 0.6187 0.8881 0.118 Uiso 1 calc R . .
H10B H 0.9677 0.5833 0.7831 0.118 Uiso 1 calc R . .
H10C H 1.0093 0.5570 0.8453 0.118 Uiso 1 calc R . .
C109 C 0.9170(7) 0.5079(7) 0.9226(8) 0.088(5) Uani 1 d . . .
H10D H 0.9209 0.5473 0.9765 0.131 Uiso 1 calc R . .
H10E H 0.9571 0.4866 0.9181 0.131 Uiso 1 calc R . .
H10F H 0.8789 0.4768 0.9245 0.131 Uiso 1 calc R . .
C110 C 0.7509(5) 0.6868(5) 1.0229(6) 0.047(3) Uani 1 d . . .
H110 H 0.7918 0.7010 1.0631 0.057 Uiso 1 calc R . .
C111 C 0.7000(6) 0.6487(6) 1.0637(7) 0.070(4) Uani 1 d . . .
H11D H 0.6590 0.6341 1.0260 0.106 Uiso 1 calc R . .
H11E H 0.6909 0.6780 1.1227 0.106 Uiso 1 calc R . .
H11F H 0.7179 0.6099 1.0679 0.106 Uiso 1 calc R . .
C112 C 0.7261(6) 0.7511(5) 1.0195(8) 0.061(3) Uani 1 d . . .
H11G H 0.7593 0.7742 0.9941 0.091 Uiso 1 calc R . .
H11H H 0.7186 0.7802 1.0794 0.091 Uiso 1 calc R . .
H11I H 0.6847 0.7393 0.9828 0.091 Uiso 1 calc R . .
C113 C 0.7001(5) 0.5733(5) 0.6904(6) 0.043(2) Uani 1 d . . .
H113 H 0.7264 0.5587 0.6371 0.051 Uiso 1 calc R . .
C114 C 0.6714(5) 0.6362(6) 0.6909(7) 0.056(3) Uani 1 d . . .
H11J H 0.6400 0.6483 0.7372 0.084 Uiso 1 calc R . .
H11K H 0.6487 0.6273 0.6334 0.084 Uiso 1 calc R . .
H11L H 0.7072 0.6727 0.7024 0.084 Uiso 1 calc R . .
C115 C 0.6419(5) 0.5157(6) 0.6784(8) 0.063(3) Uani 1 d . . .
H11M H 0.6601 0.4756 0.6769 0.095 Uiso 1 calc R . .
H11N H 0.6161 0.5067 0.6231 0.095 Uiso 1 calc R . .
H11O H 0.6134 0.5292 0.7280 0.095 Uiso 1 calc R . .
C121 C 0.6911(4) -0.0644(4) 0.2617(6) 0.031(2) Uani 1 d . . .
C122 C 0.6741(4) -0.1169(4) 0.2949(6) 0.0316(19) Uani 1 d . . .
C123 C 0.6167(5) -0.1626(5) 0.2558(7) 0.047(3) Uani 1 d . . .
H123 H 0.6041 -0.1964 0.2790 0.057 Uiso 1 calc R . .
C124 C 0.5775(5) -0.1609(5) 0.1847(7) 0.046(2) Uani 1 d . . .
C125 C 0.5993(5) -0.1116(5) 0.1499(6) 0.042(2) Uani 1 d . . .
H125 H 0.5751 -0.1100 0.1004 0.051 Uiso 1 calc R . .
C126 C 0.6561(5) -0.0641(5) 0.1858(6) 0.036(2) Uani 1 d . . .
C127 C 0.7130(5) -0.1260(5) 0.3723(6) 0.042(2) Uani 1 d . . .
H127 H 0.7529 -0.0919 0.3895 0.051 Uiso 1 calc R . .
C128 C 0.6708(5) -0.1135(6) 0.4545(7) 0.053(3) Uani 1 d . . .
H12D H 0.6569 -0.0692 0.4715 0.080 Uiso 1 calc R . .
H12E H 0.6972 -0.1164 0.5036 0.080 Uiso 1 calc R . .
H12F H 0.6318 -0.1470 0.4400 0.080 Uiso 1 calc R . .
C129 C 0.7369(6) -0.1955(5) 0.3437(8) 0.063(3) Uani 1 d . . .
H12G H 0.6991 -0.2295 0.3362 0.094 Uiso 1 calc R . .
H12H H 0.7685 -0.1964 0.3893 0.094 Uiso 1 calc R . .
H12I H 0.7583 -0.2044 0.2878 0.094 Uiso 1 calc R . .
C130 C 0.5127(6) -0.2077(6) 0.1494(8) 0.059(3) Uani 1 d . . .
H130 H 0.4912 -0.1925 0.1055 0.070 Uiso 1 calc R . .
C131 C 0.5228(7) -0.2778(7) 0.1024(11) 0.102(5) Uani 1 d . . .
H13A H 0.5442 -0.2818 0.0474 0.152 Uiso 1 calc R . .
H13B H 0.4801 -0.3059 0.0887 0.152 Uiso 1 calc R . .
H13C H 0.5509 -0.2921 0.1399 0.152 Uiso 1 calc R . .
C132 C 0.4646(6) -0.2002(6) 0.2260(9) 0.072(4) Uani 1 d . . .
H13D H 0.4224 -0.2278 0.2020 0.109 Uiso 1 calc R . .
H13E H 0.4572 -0.1537 0.2528 0.109 Uiso 1 calc R . .
H13F H 0.4841 -0.2143 0.2708 0.109 Uiso 1 calc R . .
C133 C 0.6772(6) -0.0169(5) 0.1341(6) 0.048(3) Uani 1 d . . .
H133 H 0.7092 0.0204 0.1742 0.058 Uiso 1 calc R . .
C134 C 0.7146(6) -0.0543(6) 0.0529(7) 0.064(3) Uani 1 d . . .
H13G H 0.7507 -0.0731 0.0720 0.096 Uiso 1 calc R . .
H13H H 0.7326 -0.0234 0.0249 0.096 Uiso 1 calc R . .
H13I H 0.6842 -0.0901 0.0106 0.096 Uiso 1 calc R . .
C135 C 0.6197(7) 0.0139(6) 0.1100(8) 0.074(4) Uani 1 d . . .
H13J H 0.5910 -0.0201 0.0630 0.110 Uiso 1 calc R . .
H13K H 0.6368 0.0496 0.0896 0.110 Uiso 1 calc R . .
H13L H 0.5945 0.0318 0.1621 0.110 Uiso 1 calc R . .
C141 C 0.7516(4) 0.0549(4) 0.7198(6) 0.0298(19) Uani 1 d . . .
C142 C 0.8078(4) 0.0199(4) 0.6906(6) 0.034(2) Uani 1 d . . .
C143 C 0.8462(4) 0.0083(5) 0.7567(6) 0.037(2) Uani 1 d . . .
H143 H 0.8835 -0.0144 0.7395 0.044 Uiso 1 calc R . .
C144 C 0.8315(4) 0.0287(5) 0.8455(6) 0.033(2) Uani 1 d . . .
C145 C 0.7740(5) 0.0590(5) 0.8702(6) 0.040(2) Uani 1 d . . .
H145 H 0.7620 0.0705 0.9296 0.048 Uiso 1 calc R . .
C146 C 0.7336(4) 0.0727(4) 0.8087(6) 0.034(2) Uani 1 d . . .
C147 C 0.8282(4) -0.0046(4) 0.5936(6) 0.032(2) Uani 1 d . . .
H147 H 0.7880 -0.0092 0.5548 0.038 Uiso 1 calc R . .
C148 C 0.8536(5) -0.0730(5) 0.5643(6) 0.049(3) Uani 1 d . . .
H14D H 0.8559 -0.0902 0.5000 0.073 Uiso 1 calc R . .
H14E H 0.8234 -0.1039 0.5819 0.073 Uiso 1 calc R . .
H14F H 0.8976 -0.0682 0.5924 0.073 Uiso 1 calc R . .
C149 C 0.8798(5) 0.0472(5) 0.5790(7) 0.046(2) Uani 1 d . . .
H14G H 0.9207 0.0512 0.6138 0.070 Uiso 1 calc R . .
H14H H 0.8631 0.0902 0.5975 0.070 Uiso 1 calc R . .
H14I H 0.8886 0.0333 0.5163 0.070 Uiso 1 calc R . .
C150 C 0.8790(4) 0.0188(5) 0.9157(6) 0.040(2) Uani 1 d . . .
H150 H 0.8591 0.0361 0.9740 0.048 Uiso 1 calc R . .
C151 C 0.8858(6) -0.0538(6) 0.8973(8) 0.073(4) Uani 1 d . . .
H15D H 0.9028 -0.0732 0.8389 0.109 Uiso 1 calc R . .
H15E H 0.8426 -0.0779 0.8990 0.109 Uiso 1 calc R . .
H15F H 0.9163 -0.0571 0.9423 0.109 Uiso 1 calc R . .
C152 C 0.9471(5) 0.0578(7) 0.9255(8) 0.071(4) Uani 1 d . . .
H15G H 0.9752 0.0479 0.9674 0.107 Uiso 1 calc R . .
H15H H 0.9434 0.1053 0.9473 0.107 Uiso 1 calc R . .
H15I H 0.9665 0.0452 0.8680 0.107 Uiso 1 calc R . .
C153 C 0.6712(5) 0.1066(5) 0.8434(6) 0.046(3) Uani 1 d . . .
H153 H 0.6554 0.1238 0.7980 0.056 Uiso 1 calc R . .
C154 C 0.6149(6) 0.0540(6) 0.8505(11) 0.101(6) Uani 1 d . . .
H15J H 0.6312 0.0305 0.8866 0.151 Uiso 1 calc R . .
H15K H 0.6005 0.0222 0.7914 0.151 Uiso 1 calc R . .
H15L H 0.5776 0.0763 0.8780 0.151 Uiso 1 calc R . .
C155 C 0.6835(6) 0.1659(6) 0.9311(8) 0.073(4) Uani 1 d . . .
H15M H 0.6430 0.1866 0.9457 0.109 Uiso 1 calc R . .
H15N H 0.7187 0.1984 0.9252 0.109 Uiso 1 calc R . .
H15O H 0.6966 0.1506 0.9781 0.109 Uiso 1 calc R . .
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'
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
Se1 Ag1 Se5 168.77(4) . . ?
Se1 Ag1 Ag7 124.03(5) . . ?
Se5 Ag1 Ag7 54.48(3) . . ?
Se1 Ag1 Ag6 75.71(4) . . ?
Se5 Ag1 Ag6 115.19(4) . . ?
Ag7 Ag1 Ag6 96.49(4) . . ?
Se1 Ag1 Se3 73.63(3) . . ?
Se5 Ag1 Se3 115.27(4) . . ?
Ag7 Ag1 Se3 138.33(4) . . ?
Ag6 Ag1 Se3 47.78(3) . . ?
Se7 Ag2 Se3 163.32(4) . . ?
Se7 Ag2 Ag8 53.79(3) . . ?
Se3 Ag2 Ag8 135.85(4) . . ?
Se7 Ag2 Se1 115.80(4) . . ?
Se3 Ag2 Se1 74.72(3) . . ?
Ag8 Ag2 Se1 114.64(4) . . ?
Se7 Ag2 Ag6 145.67(4) . . ?
Se3 Ag2 Ag6 49.25(3) . . ?
Ag8 Ag2 Ag6 93.15(3) . . ?
Se1 Ag2 Ag6 66.07(3) . . ?
Se8 Ag3 Se2 167.47(4) . . ?
Se8 Ag3 Se4 107.41(4) . . ?
Se2 Ag3 Se4 83.21(4) . . ?
Se8 Ag3 Ag5 138.20(4) . . ?
Se2 Ag3 Ag5 50.67(3) . . ?
Se4 Ag3 Ag5 72.09(3) . . ?
Se8 Ag3 Ag8 50.98(4) . . ?
Se2 Ag3 Ag8 132.20(4) . . ?
Se4 Ag3 Ag8 110.80(4) . . ?
Ag5 Ag3 Ag8 89.12(3) . . ?
Se4 Ag4 Se6 165.06(5) . . ?
Se4 Ag4 Ag7 125.39(4) . . ?
Se6 Ag4 Ag7 54.55(4) . . ?
Se4 Ag4 Ag5 80.64(4) . . ?
Se6 Ag4 Ag5 114.19(4) . . ?
Ag7 Ag4 Ag5 105.11(3) . . ?
Se1 Ag5 Se2 173.10(4) . . ?
Se1 Ag5 Ag4 109.78(4) . . ?
Se2 Ag5 Ag4 71.71(4) . . ?
Se1 Ag5 Ag3 133.99(4) . . ?
Se2 Ag5 Ag3 52.18(4) . . ?
Ag4 Ag5 Ag3 87.76(3) . . ?
Se1 Ag5 Ag6 72.31(4) . . ?
Se2 Ag5 Ag6 113.95(5) . . ?
Ag4 Ag5 Ag6 65.31(4) . . ?
Ag3 Ag5 Ag6 78.00(3) . . ?
Se4 Ag6 Se3 171.48(4) . . ?
Se4 Ag6 Ag1 120.96(4) . . ?
Se3 Ag6 Ag1 67.32(4) . . ?
Se4 Ag6 Ag2 128.76(4) . . ?
Se3 Ag6 Ag2 49.73(3) . . ?
Ag1 Ag6 Ag2 89.47(3) . . ?
Se4 Ag6 Ag5 76.91(5) . . ?
Se3 Ag6 Ag5 108.80(5) . . ?
Ag1 Ag6 Ag5 73.50(3) . . ?
Ag2 Ag6 Ag5 73.93(4) . . ?
Se5 Ag7 Se6 172.68(4) . . ?
Se5 Ag7 Ag1 55.41(4) . . ?
Se6 Ag7 Ag1 124.60(5) . . ?
Se5 Ag7 Ag4 130.84(4) . . ?
Se6 Ag7 Ag4 54.58(4) . . ?
Ag1 Ag7 Ag4 85.19(3) . . ?
Se8 Ag8 Se7 172.44(4) . . ?
Se8 Ag8 Ag2 132.43(4) . . ?
Se7 Ag8 Ag2 53.49(3) . . ?
Se8 Ag8 Ag3 50.82(4) . . ?
Se7 Ag8 Ag3 136.08(4) . . ?
Ag2 Ag8 Ag3 99.76(3) . . ?
C1 Se1 Ag5 105.3(2) . . ?
C1 Se1 Ag1 114.6(2) . . ?
Ag5 Se1 Ag1 99.07(5) . . ?
C1 Se1 Ag2 133.4(2) . . ?
Ag5 Se1 Ag2 90.02(5) . . ?
Ag1 Se1 Ag2 105.67(4) . . ?
C21 Se2 Ag5 110.5(3) . . ?
C21 Se2 Ag3 98.4(2) . . ?
Ag5 Se2 Ag3 77.15(5) . . ?
C41 Se3 Ag6 100.7(2) . . ?
C41 Se3 Ag2 116.5(3) . . ?
Ag6 Se3 Ag2 81.02(4) . . ?
C41 Se3 Ag1 134.8(3) . . ?
Ag6 Se3 Ag1 64.91(4) . . ?
Ag2 Se3 Ag1 103.82(4) . . ?
C61 Se4 Ag6 113.9(2) . . ?
C61 Se4 Ag4 99.1(2) . . ?
Ag6 Se4 Ag4 86.49(5) . . ?
C61 Se4 Ag3 148.1(2) . . ?
Ag6 Se4 Ag3 92.31(5) . . ?
Ag4 Se4 Ag3 100.42(4) . . ?
C81 Se5 Ag7 95.4(2) . . ?
C81 Se5 Ag1 102.9(3) . . ?
Ag7 Se5 Ag1 70.11(4) . . ?
C101 Se6 Ag7 114.0(3) . . ?
C101 Se6 Ag4 98.2(3) . . ?
Ag7 Se6 Ag4 70.88(5) . . ?
C121 Se7 Ag2 102.0(3) . . ?
C121 Se7 Ag8 103.5(2) . . ?
Ag2 Se7 Ag8 72.72(4) . . ?
C141 Se8 Ag3 96.0(2) . . ?
C141 Se8 Ag8 114.2(3) . . ?
Ag3 Se8 Ag8 78.20(5) . . ?
C2 C1 C6 122.1(7) . . ?
C2 C1 Se1 123.0(6) . . ?
C6 C1 Se1 114.8(6) . . ?
C1 C2 C3 117.7(8) . . ?
C1 C2 C7 125.8(8) . . ?
C3 C2 C7 116.5(7) . . ?
C4 C3 C2 122.6(8) . . ?
C5 C4 C3 117.9(8) . . ?
C5 C4 C10 120.7(9) . . ?
C3 C4 C10 121.4(8) . . ?
C4 C5 C6 122.1(8) . . ?
C5 C6 C1 117.5(7) . . ?
C5 C6 C13 120.0(8) . . ?
C1 C6 C13 122.5(7) . . ?
C2 C7 C8 111.9(7) . . ?
C2 C7 C9 115.3(8) . . ?
C8 C7 C9 111.0(8) . . ?
C4 C10 C12 112.4(10) . . ?
C4 C10 C11 113.6(9) . . ?
C12 C10 C11 110.9(10) . . ?
C6 C13 C14 109.1(7) . . ?
C6 C13 C15 114.5(7) . . ?
C14 C13 C15 110.6(7) . . ?
C22 C21 C26 120.8(8) . . ?
C22 C21 Se2 124.8(6) . . ?
C26 C21 Se2 114.4(6) . . ?
C23 C22 C21 117.3(8) . . ?
C23 C22 C27 118.4(8) . . ?
C21 C22 C27 124.2(8) . . ?
C24 C23 C22 124.0(8) . . ?
C23 C24 C25 117.7(9) . . ?
C23 C24 C30 118.4(8) . . ?
C25 C24 C30 123.9(8) . . ?
C24 C25 C26 122.7(9) . . ?
C25 C26 C21 117.1(8) . . ?
C25 C26 C33 119.3(8) . . ?
C21 C26 C33 123.5(8) . . ?
C22 C27 C28 112.1(8) . . ?
C22 C27 C29 112.1(7) . . ?
C28 C27 C29 109.0(8) . . ?
C31 C30 C24 109.0(7) . . ?
C31 C30 C32 110.6(9) . . ?
C24 C30 C32 113.3(8) . . ?
C34 C33 C35 104.7(14) . . ?
C34 C33 C26 114.0(10) . . ?
C35 C33 C26 115.0(10) . . ?
C46 C41 C42 120.6(8) . . ?
C46 C41 Se3 124.9(6) . . ?
C42 C41 Se3 114.5(6) . . ?
C43 C42 C41 117.6(8) . . ?
C43 C42 C47 119.6(8) . . ?
C41 C42 C47 122.8(8) . . ?
C42 C43 C44 123.7(8) . . ?
C45 C44 C43 116.1(8) . . ?
C45 C44 C50 123.1(8) . . ?
C43 C44 C50 120.6(7) . . ?
C44 C45 C46 124.2(8) . . ?
C41 C46 C45 117.7(7) . . ?
C41 C46 C53 124.8(8) . . ?
C45 C46 C53 117.5(7) . . ?
C49 C47 C42 108.3(9) . . ?
C49 C47 C48 110.5(10) . . ?
C42 C47 C48 114.4(8) . . ?
C44 C50 C51 111.8(7) . . ?
C44 C50 C52 113.1(8) . . ?
C51 C50 C52 110.2(8) . . ?
C54 C53 C55 109.7(8) . . ?
C54 C53 C46 112.1(9) . . ?
C55 C53 C46 113.6(9) . . ?
C66 C61 C62 120.1(8) . . ?
C66 C61 Se4 124.9(6) . . ?
C62 C61 Se4 115.0(6) . . ?
C63 C62 C61 116.3(9) . . ?
C63 C62 C67 119.8(9) . . ?
C61 C62 C67 123.9(9) . . ?
C62 C63 C64 124.9(9) . . ?
C65 C64 C63 115.5(9) . . ?
C65 C64 C70 123.5(10) . . ?
C63 C64 C70 121.0(9) . . ?
C64 C65 C66 123.0(9) . . ?
C61 C66 C65 120.2(8) . . ?
C61 C66 C73 123.5(8) . . ?
C65 C66 C73 116.2(8) . . ?
C62 C67 C69 114.8(9) . . ?
C62 C67 C68 112.7(8) . . ?
C69 C67 C68 110.0(8) . . ?
C72 C70 C64 115.7(10) . . ?
C72 C70 C71 110.3(12) . . ?
C64 C70 C71 111.6(11) . . ?
C75 C73 C74 113.9(9) . . ?
C75 C73 C66 112.6(8) . . ?
C74 C73 C66 110.2(8) . . ?
C82 C81 C86 120.7(8) . . ?
C82 C81 Se5 119.1(7) . . ?
C86 C81 Se5 120.0(6) . . ?
C81 C82 C83 118.6(9) . . ?
C81 C82 C87 124.0(8) . . ?
C83 C82 C87 117.3(8) . . ?
C84 C83 C82 121.4(9) . . ?
C85 C84 C83 118.3(9) . . ?
C85 C84 C90 122.1(10) . . ?
C83 C84 C90 119.6(9) . . ?
C84 C85 C86 122.8(9) . . ?
C85 C86 C81 117.9(8) . . ?
C85 C86 C93 117.8(8) . . ?
C81 C86 C93 124.3(8) . . ?
C88 C87 C82 110.3(9) . . ?
C88 C87 C89 111.0(11) . . ?
C82 C87 C89 113.7(9) . . ?
C92 C90 C91 111.1(10) . . ?
C92 C90 C84 111.1(11) . . ?
C91 C90 C84 111.5(9) . . ?
C86 C93 C94 109.9(9) . . ?
C86 C93 C95 115.4(9) . . ?
C94 C93 C95 111.7(9) . . ?
C106 C101 C102 119.4(8) . . ?
C106 C101 Se6 124.2(7) . . ?
C102 C101 Se6 116.1(7) . . ?
C103 C102 C101 118.4(9) . . ?
C103 C102 C107 119.4(8) . . ?
C101 C102 C107 122.1(8) . . ?
C102 C103 C104 123.8(9) . . ?
C103 C104 C105 116.1(8) . . ?
C103 C104 C110 121.9(9) . . ?
C105 C104 C110 121.9(9) . . ?
C106 C105 C104 122.4(8) . . ?
C105 C106 C101 119.7(8) . . ?
C105 C106 C113 117.1(8) . . ?
C101 C106 C113 123.2(8) . . ?
C109 C107 C108 108.7(10) . . ?
C109 C107 C102 112.7(8) . . ?
C108 C107 C102 109.7(8) . . ?
C104 C110 C111 110.2(8) . . ?
C104 C110 C112 113.8(8) . . ?
C111 C110 C112 111.3(9) . . ?
C106 C113 C114 115.2(8) . . ?
C106 C113 C115 110.7(8) . . ?
C114 C113 C115 109.4(9) . . ?
C126 C121 C122 119.9(8) . . ?
C126 C121 Se7 120.5(6) . . ?
C122 C121 Se7 119.5(6) . . ?
C123 C122 C121 117.6(8) . . ?
C123 C122 C127 117.9(8) . . ?
C121 C122 C127 124.5(8) . . ?
C124 C123 C122 124.0(9) . . ?
C123 C124 C125 116.2(9) . . ?
C123 C124 C130 122.3(9) . . ?
C125 C124 C130 121.5(9) . . ?
C124 C125 C126 122.8(9) . . ?
C121 C126 C125 119.0(8) . . ?
C121 C126 C133 124.7(8) . . ?
C125 C126 C133 116.3(8) . . ?
C129 C127 C122 111.6(8) . . ?
C129 C127 C128 111.2(8) . . ?
C122 C127 C128 110.8(8) . . ?
C131 C130 C124 113.3(10) . . ?
C131 C130 C132 112.1(11) . . ?
C124 C130 C132 110.2(9) . . ?
C135 C133 C134 112.9(9) . . ?
C135 C133 C126 113.0(9) . . ?
C134 C133 C126 109.5(8) . . ?
C146 C141 C142 121.2(7) . . ?
C146 C141 Se8 115.5(6) . . ?
C142 C141 Se8 123.3(6) . . ?
C143 C142 C141 116.5(8) . . ?
C143 C142 C147 119.3(8) . . ?
C141 C142 C147 124.1(7) . . ?
C144 C143 C142 123.2(8) . . ?
C143 C144 C145 118.4(8) . . ?
C143 C144 C150 120.3(8) . . ?
C145 C144 C150 121.3(8) . . ?
C144 C145 C146 121.6(9) . . ?
C145 C146 C141 118.9(8) . . ?
C145 C146 C153 117.2(8) . . ?
C141 C146 C153 123.9(8) . . ?
C149 C147 C148 110.2(8) . . ?
C149 C147 C142 110.4(7) . . ?
C148 C147 C142 113.7(7) . . ?
C152 C150 C151 109.4(9) . . ?
C152 C150 C144 113.0(8) . . ?
C151 C150 C144 112.8(8) . . ?
C155 C153 C146 114.6(9) . . ?
C155 C153 C154 110.6(10) . . ?
C146 C153 C154 110.0(9) . . ?
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 Se1 2.5049(13) . ?
Ag1 Se5 2.5255(13) . ?
Ag1 Ag7 2.8848(16) . ?
Ag1 Ag6 3.0466(13) . ?
Ag1 Se3 3.1039(16) . ?
Ag2 Se7 2.5011(13) . ?
Ag2 Se3 2.5089(13) . ?
Ag2 Ag8 2.9715(11) . ?
Ag2 Se1 3.0425(15) . ?
Ag2 Ag6 3.2480(16) . ?
Ag3 Se8 2.5026(14) . ?
Ag3 Se2 2.5176(15) . ?
Ag3 Se4 3.0467(14) . ?
Ag3 Ag5 3.1074(12) . ?
Ag3 Ag8 3.1605(17) . ?
Ag4 Se4 2.4979(14) . ?
Ag4 Se6 2.5021(14) . ?
Ag4 Ag7 2.9011(11) . ?
Ag4 Ag5 3.0597(15) . ?
Ag5 Se1 2.4584(12) . ?
Ag5 Se2 2.4652(13) . ?
Ag5 Ag6 3.2580(12) . ?
Ag6 Se4 2.4832(13) . ?
Ag6 Se3 2.4913(14) . ?
Ag7 Se5 2.4969(14) . ?
Ag7 Se6 2.5012(15) . ?
Ag8 Se8 2.5085(13) . ?
Ag8 Se7 2.5108(13) . ?
Se1 C1 1.958(8) . ?
Se2 C21 1.958(8) . ?
Se3 C41 1.954(8) . ?
Se4 C61 1.959(9) . ?
Se5 C81 1.955(8) . ?
Se6 C101 1.961(9) . ?
Se7 C121 1.955(8) . ?
Se8 C141 1.976(8) . ?
C1 C2 1.372(11) . ?
C1 C6 1.416(11) . ?
C2 C3 1.402(12) . ?
C2 C7 1.505(12) . ?
C3 C4 1.389(13) . ?
C4 C5 1.385(12) . ?
C4 C10 1.507(13) . ?
C5 C6 1.397(11) . ?
C6 C13 1.506(11) . ?
C7 C8 1.518(12) . ?
C7 C9 1.529(13) . ?
C10 C12 1.509(16) . ?
C10 C11 1.519(15) . ?
C13 C14 1.533(12) . ?
C13 C15 1.541(12) . ?
C21 C22 1.399(12) . ?
C21 C26 1.419(12) . ?
C22 C23 1.385(12) . ?
C22 C27 1.532(12) . ?
C23 C24 1.366(12) . ?
C24 C25 1.370(12) . ?
C24 C30 1.531(12) . ?
C25 C26 1.403(12) . ?
C26 C33 1.498(12) . ?
C27 C28 1.540(12) . ?
C27 C29 1.551(13) . ?
C30 C31 1.517(13) . ?
C30 C32 1.536(13) . ?
C33 C34 1.445(17) . ?
C33 C35 1.446(17) . ?
C41 C46 1.397(11) . ?
C41 C42 1.419(11) . ?
C42 C43 1.375(12) . ?
C42 C47 1.515(11) . ?
C43 C44 1.408(11) . ?
C44 C45 1.360(11) . ?
C44 C50 1.500(11) . ?
C45 C46 1.400(12) . ?
C46 C53 1.523(12) . ?
C47 C49 1.498(17) . ?
C47 C48 1.528(14) . ?
C50 C51 1.521(13) . ?
C50 C52 1.525(13) . ?
C53 C54 1.499(15) . ?
C53 C55 1.515(14) . ?
C61 C66 1.365(12) . ?
C61 C62 1.439(12) . ?
C62 C63 1.369(14) . ?
C62 C67 1.497(12) . ?
C63 C64 1.402(14) . ?
C64 C65 1.374(13) . ?
C64 C70 1.509(14) . ?
C65 C66 1.376(13) . ?
C66 C73 1.561(12) . ?
C67 C69 1.521(12) . ?
C67 C68 1.530(13) . ?
C70 C72 1.485(16) . ?
C70 C71 1.512(17) . ?
C73 C75 1.483(14) . ?
C73 C74 1.503(14) . ?
C81 C82 1.401(12) . ?
C81 C86 1.406(12) . ?
C82 C83 1.414(13) . ?
C82 C87 1.512(13) . ?
C83 C84 1.388(14) . ?
C84 C85 1.381(13) . ?
C84 C90 1.535(14) . ?
C85 C86 1.400(12) . ?
C86 C93 1.504(12) . ?
C87 C88 1.506(15) . ?
C87 C89 1.520(14) . ?
C90 C92 1.510(17) . ?
C90 C91 1.516(16) . ?
C93 C94 1.526(15) . ?
C93 C95 1.540(15) . ?
C101 C106 1.406(12) . ?
C101 C102 1.410(12) . ?
C102 C103 1.375(12) . ?
C102 C107 1.530(12) . ?
C103 C104 1.396(13) . ?
C104 C105 1.401(12) . ?
C104 C110 1.515(12) . ?
C105 C106 1.377(12) . ?
C106 C113 1.506(12) . ?
C107 C109 1.496(13) . ?
C107 C108 1.521(14) . ?
C110 C111 1.525(14) . ?
C110 C112 1.530(14) . ?
C113 C114 1.515(13) . ?
C113 C115 1.549(13) . ?
C121 C126 1.388(12) . ?
C121 C122 1.407(11) . ?
C122 C123 1.397(13) . ?
C122 C127 1.526(12) . ?
C123 C124 1.379(14) . ?
C124 C125 1.383(13) . ?
C124 C130 1.509(13) . ?
C125 C126 1.398(12) . ?
C126 C133 1.537(12) . ?
C127 C129 1.525(14) . ?
C127 C128 1.529(14) . ?
C130 C131 1.456(17) . ?
C130 C132 1.541(16) . ?
C133 C135 1.498(15) . ?
C133 C134 1.519(14) . ?
C141 C146 1.393(12) . ?
C141 C142 1.416(12) . ?
C142 C143 1.401(12) . ?
C142 C147 1.522(12) . ?
C143 C144 1.371(12) . ?
C144 C145 1.382(12) . ?
C144 C150 1.540(11) . ?
C145 C146 1.389(12) . ?
C146 C153 1.531(12) . ?
C147 C149 1.507(12) . ?
C147 C148 1.516(12) . ?
C150 C152 1.488(13) . ?
C150 C151 1.493(14) . ?
C153 C155 1.507(14) . ?
C153 C154 1.531(15) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139154234
