#------------------------------------------------------------------------------
#$Date: 2020-10-02 18:49:34 +0300 (Fri, 02 Oct 2020) $
#$Revision: 256944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/15/1501561.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_1501561
loop_
_publ_author_name
'Mohamed Osman Awaleh'
'Francois Brisse'
'Youssouf Djibril Soubaneh'
'Thierry Maris'
'Elias Said Dirieh'
_publ_section_title
;
 Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and
 Thermal Stability
;
_journal_name_full               'J. Inorg. Organomet. Polym.'
_journal_page_first              816
_journal_page_last               824
_journal_paper_doi               10.1007/s10904-010-9407-0
_journal_volume                  20
_journal_year                    2010
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C57 H48 Ag6 F12 O12 S6'
_chemical_formula_sum            'C57 H48 Ag6 F12 O12 S6'
_chemical_formula_weight         1992.53
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4359(2)
_cell_length_b                   23.9932(4)
_cell_length_c                   25.6039(4)
_cell_measurement_reflns_used    7347
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.94
_cell_measurement_theta_min      2.53
_cell_volume                     6396.37(19)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (local program)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker Smart 2000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            77743
_diffrn_reflns_theta_full        72.93
_diffrn_reflns_theta_max         72.93
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         529
_exptl_absorpt_coefficient_mu    17.122
_exptl_absorpt_correction_T_max  0.302
_exptl_absorpt_correction_T_min  0.103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.490
_refine_diff_density_min         -0.897
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     838
_refine_ls_number_reflns         12258
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0574P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                10405
_reflns_number_total             12258
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            deposit.cif
_cod_data_source_block           Complex1
_cod_depositor_comments
;
 Updated values of the _geom_angle_atom_site_label_* and
 _geom_bond_atom_site_label_* data items to establish
 relationships between loop packets from different data loops.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1501561
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 1.02757(3) 0.790511(13) 0.038509(13) 0.02231(8) Uani 1 1 d .
Ag2 Ag 0.94376(3) 0.689716(12) -0.020086(12) 0.02058(8) Uani 1 1 d .
Ag3 Ag 0.68150(3) 0.693445(12) 0.043634(11) 0.01898(8) Uani 1 1 d .
Ag4 Ag 0.96716(3) 0.976598(13) 0.054765(12) 0.02187(8) Uani 1 1 d .
Ag5 Ag 0.52636(3) 0.447978(12) -0.028389(11) 0.01876(8) Uani 1 1 d .
Ag6 Ag 1.35184(3) 0.678475(13) -0.034493(11) 0.01991(8) Uani 1 1 d .
S1 S 1.24171(10) 0.77507(4) -0.03855(4) 0.0183(2) Uani 1 1 d .
S2 S 1.12261(10) 0.88875(4) 0.05768(4) 0.0175(2) Uani 1 1 d .
S3 S 0.12638(10) 0.62642(4) -0.05458(4) 0.0194(2) Uani 1 1 d .
S4 S 0.30798(10) 0.41081(4) -0.06519(4) 0.0166(2) Uani 1 1 d .
S5 S 0.80463(10) 0.76911(4) 0.08841(4) 0.0170(2) Uani 1 1 d .
S6 S 0.76056(12) 0.99837(4) 0.10378(4) 0.0240(2) Uani 1 1 d .
F1 F 0.6767(3) 0.67945(11) -0.15756(9) 0.0255(6) Uani 1 1 d .
F2 F 0.4796(2) 0.67333(11) -0.13577(9) 0.0242(6) Uani 1 1 d .
F3 F 0.7193(3) 0.57584(11) -0.14708(10) 0.0262(6) Uani 1 1 d .
F4 F 0.5158(3) 0.57727(11) -0.17290(9) 0.0268(6) Uani 1 1 d .
F5 F 0.6724(3) 0.81290(10) -0.12665(11) 0.0276(6) Uani 1 1 d .
F6 F 0.8478(3) 0.85455(11) -0.14436(9) 0.0262(6) Uani 1 1 d .
F7 F 0.6340(2) 0.87961(11) -0.04749(10) 0.0262(6) Uani 1 1 d .
F8 F 0.6606(3) 0.92455(10) -0.12044(10) 0.0263(6) Uani 1 1 d .
F9 F 1.1257(3) 0.64614(11) 0.17081(10) 0.0270(6) Uani 1 1 d .
F10 F 1.1858(3) 0.58783(10) 0.11186(10) 0.0277(6) Uani 1 1 d .
F11 F 1.3278(3) 0.70771(11) 0.16713(9) 0.0246(6) Uani 1 1 d .
F12 F 1.3897(3) 0.62126(11) 0.16639(10) 0.0302(6) Uani 1 1 d .
O1 O 0.7460(3) 0.64441(12) -0.05120(11) 0.0199(6) Uani 1 1 d .
O2 O 0.5823(3) 0.70296(12) -0.04171(11) 0.0213(7) Uani 1 1 d .
O3 O 0.6248(3) 0.51275(12) -0.07490(12) 0.0241(7) Uani 1 1 d .
O4 O 0.4820(3) 0.58021(12) -0.05840(11) 0.0202(6) Uani 1 1 d .
O5 O 0.8840(3) 0.82811(14) -0.02219(12) 0.0309(8) Uani 1 1 d .
O6 O 0.8698(3) 0.75591(13) -0.07794(13) 0.0294(8) Uani 1 1 d .
O7 O 0.8020(3) 0.95332(13) -0.01002(12) 0.0269(7) Uani 1 1 d .
O8 O 0.9195(3) 0.94401(14) -0.07965(13) 0.0301(8) Uani 1 1 d .
O9 O 1.1586(3) 0.72499(12) 0.07613(11) 0.0197(6) Uani 1 1 d .
O10 O 1.0125(3) 0.65609(12) 0.06226(12) 0.0227(7) Uani 1 1 d .
O11 O 1.3686(3) 0.63878(12) 0.05010(11) 0.0221(7) Uani 1 1 d .
O12 O 1.4833(3) 0.70871(14) 0.08950(12) 0.0262(7) Uani 1 1 d .
C11 C 1.2599(4) 0.80332(17) -0.10239(16) 0.0191(9) Uani 1 1 d .
C12 C 1.3745(5) 0.7980(2) -0.12657(18) 0.0302(11) Uani 1 1 d .
H12 H 1.4466 0.7802 -0.1091 0.036 Uiso 1 1 calc R
C13 C 1.3819(6) 0.8188(3) -0.1763(2) 0.0436(15) Uani 1 1 d .
H13 H 1.4599 0.8151 -0.1931 0.052 Uiso 1 1 calc R
C14 C 1.2790(5) 0.8449(2) -0.20223(18) 0.0356(12) Uani 1 1 d .
H14 H 1.2860 0.8592 -0.2365 0.043 Uiso 1 1 calc R
C15 C 1.1651(5) 0.8503(2) -0.17792(19) 0.0328(12) Uani 1 1 d .
H15 H 1.0933 0.8680 -0.1957 0.039 Uiso 1 1 calc R
C16 C 1.1558(5) 0.8298(2) -0.12752(19) 0.0283(11) Uani 1 1 d .
H16 H 1.0782 0.8340 -0.1105 0.034 Uiso 1 1 calc R
C17 C 1.3588(4) 0.81380(18) 0.00344(16) 0.0199(9) Uani 1 1 d .
H17A H 1.3494 0.8027 0.0402 0.024 Uiso 1 1 calc R
H17B H 1.4461 0.8028 -0.0055 0.024 Uiso 1 1 calc R
C18 C 1.3475(4) 0.87714(18) -0.00044(16) 0.0207(9) Uani 1 1 d .
H18A H 1.4039 0.8933 0.0283 0.025 Uiso 1 1 calc R
H18B H 1.3832 0.8886 -0.0337 0.025 Uiso 1 1 calc R
C19 C 1.2161(4) 0.90419(17) 0.00147(15) 0.0178(9) Uani 1 1 d .
H19A H 1.1640 0.8932 -0.0306 0.021 Uiso 1 1 calc R
H19B H 1.2280 0.9451 0.0000 0.021 Uiso 1 1 calc R
C21 C 1.2398(4) 0.89149(18) 0.11208(15) 0.0182(9) Uani 1 1 d .
C22 C 1.2871(4) 0.84274(18) 0.13453(17) 0.0220(9) Uani 1 1 d .
H22 H 1.2557 0.8076 0.1224 0.026 Uiso 1 1 calc R
C23 C 1.3823(5) 0.8461(2) 0.17554(17) 0.0268(10) Uani 1 1 d .
H23 H 1.4167 0.8130 0.1912 0.032 Uiso 1 1 calc R
C24 C 1.4272(5) 0.8978(2) 0.19370(17) 0.0300(11) Uani 1 1 d .
H24 H 1.4932 0.8999 0.2211 0.036 Uiso 1 1 calc R
C25 C 1.3744(5) 0.9464(2) 0.17135(18) 0.0300(11) Uani 1 1 d .
H25 H 1.4031 0.9816 0.1843 0.036 Uiso 1 1 calc R
C26 C 1.2806(5) 0.9437(2) 0.13047(17) 0.0265(10) Uani 1 1 d .
H26 H 1.2447 0.9768 0.1153 0.032 Uiso 1 1 calc R
C31 C 0.1053(5) 0.62433(18) -0.12423(17) 0.0216(9) Uani 1 1 d .
C32 C -0.0158(5) 0.6325(2) -0.14860(18) 0.0271(10) Uani 1 1 d .
H32 H -0.0876 0.6388 -0.1285 0.033 Uiso 1 1 calc R
C33 C -0.0306(6) 0.6313(2) -0.2027(2) 0.0344(12) Uani 1 1 d .
H33 H -0.1132 0.6358 -0.2202 0.041 Uiso 1 1 calc R
C34 C 0.0771(6) 0.6234(2) -0.2313(2) 0.0402(14) Uani 1 1 d .
H34 H 0.0679 0.6238 -0.2685 0.048 Uiso 1 1 calc R
C35 C 0.1938(6) 0.6153(2) -0.2070(2) 0.0398(14) Uani 1 1 d .
H35 H 0.2657 0.6092 -0.2271 0.048 Uiso 1 1 calc R
C36 C 0.2103(5) 0.6158(2) -0.1527(2) 0.0305(11) Uani 1 1 d .
H36 H 0.2930 0.6103 -0.1356 0.037 Uiso 1 1 calc R
C37 C 0.1004(5) 0.55371(17) -0.03621(17) 0.0209(9) Uani 1 1 d .
H37A H 0.1089 0.5504 0.0024 0.025 Uiso 1 1 calc R
H37B H 0.0119 0.5426 -0.0482 0.025 Uiso 1 1 calc R
C38 C 0.1953(4) 0.51422(16) -0.05966(17) 0.0193(9) Uani 1 1 d .
H38A H 0.2838 0.5269 -0.0496 0.023 Uiso 1 1 calc R
H38B H 0.1829 0.5158 -0.0983 0.023 Uiso 1 1 calc R
C39 C 0.1801(4) 0.45410(16) -0.04177(16) 0.0168(8) Uani 1 1 d .
H39A H 0.0957 0.4395 -0.0555 0.020 Uiso 1 1 calc R
H39B H 0.1831 0.4527 -0.0031 0.020 Uiso 1 1 calc R
C41 C 0.2857(4) 0.41845(17) -0.13458(15) 0.0174(9) Uani 1 1 d .
C42 C 0.1836(5) 0.39213(19) -0.16135(18) 0.0258(10) Uani 1 1 d .
H42 H 0.1237 0.3711 -0.1432 0.031 Uiso 1 1 calc R
C43 C 0.1706(5) 0.3972(2) -0.21579(19) 0.0351(12) Uani 1 1 d .
H43 H 0.1006 0.3796 -0.2349 0.042 Uiso 1 1 calc R
C44 C 0.2583(6) 0.4274(2) -0.24193(19) 0.0390(13) Uani 1 1 d .
H44 H 0.2495 0.4300 -0.2790 0.047 Uiso 1 1 calc R
C45 C 0.3587(5) 0.4538(2) -0.21449(19) 0.0394(14) Uani 1 1 d .
H45 H 0.4180 0.4751 -0.2328 0.047 Uiso 1 1 calc R
C46 C 0.3743(5) 0.44957(19) -0.16060(17) 0.0264(10) Uani 1 1 d .
H46 H 0.4440 0.4676 -0.1417 0.032 Uiso 1 1 calc R
C51 C 0.8194(5) 0.75691(17) 0.15754(16) 0.0206(9) Uani 1 1 d .
C52 C 0.9421(5) 0.75626(18) 0.18221(17) 0.0250(10) Uani 1 1 d .
H52 H 1.0156 0.7618 0.1629 0.030 Uiso 1 1 calc R
C53 C 0.9544(6) 0.7473(2) 0.23581(19) 0.0343(12) Uani 1 1 d .
H53 H 1.0375 0.7461 0.2533 0.041 Uiso 1 1 calc R
C54 C 0.8480(6) 0.7402(2) 0.26389(19) 0.0366(13) Uani 1 1 d .
H54 H 0.8577 0.7349 0.3007 0.044 Uiso 1 1 calc R
C55 C 0.7276(6) 0.7407(2) 0.2386(2) 0.0383(13) Uani 1 1 d .
H55 H 0.6545 0.7359 0.2583 0.046 Uiso 1 1 calc R
C56 C 0.7111(5) 0.7481(2) 0.18517(19) 0.0284(11) Uani 1 1 d .
H56 H 0.6279 0.7471 0.1677 0.034 Uiso 1 1 calc R
C57 C 0.6968(4) 0.82911(17) 0.08229(16) 0.0178(9) Uani 1 1 d .
H57A H 0.6708 0.8355 0.0449 0.021 Uiso 1 1 calc R
H57B H 0.6185 0.8212 0.1007 0.021 Uiso 1 1 calc R
C58 C 0.7611(5) 0.88133(17) 0.10517(18) 0.0224(9) Uani 1 1 d .
H58A H 0.8443 0.8871 0.0895 0.027 Uiso 1 1 calc R
H58B H 0.7783 0.8767 0.1434 0.027 Uiso 1 1 calc R
C59 C 0.6752(4) 0.93235(18) 0.09431(18) 0.0226(9) Uani 1 1 d .
H59A H 0.6036 0.9312 0.1178 0.027 Uiso 1 1 calc R
H59B H 0.6376 0.9304 0.0578 0.027 Uiso 1 1 calc R
C61 C 0.7999(5) 1.00034(18) 0.17254(18) 0.0252(10) Uani 1 1 d .
C62 C 0.9263(5) 0.9955(2) 0.1916(2) 0.0342(12) Uani 1 1 d .
H62 H 0.9918 0.9887 0.1683 0.041 Uiso 1 1 calc R
C63 C 0.9570(6) 1.0007(2) 0.2456(2) 0.0434(14) Uani 1 1 d .
H63 H 1.0440 0.9982 0.2590 0.052 Uiso 1 1 calc R
C64 C 0.8616(6) 1.0095(2) 0.2791(2) 0.0428(15) Uani 1 1 d .
H64 H 0.8829 1.0122 0.3156 0.051 Uiso 1 1 calc R
C65 C 0.7361(7) 1.0143(2) 0.2604(2) 0.0451(16) Uani 1 1 d .
H65 H 0.6706 1.0205 0.2837 0.054 Uiso 1 1 calc R
C66 C 0.7057(6) 1.0102(2) 0.2068(2) 0.0376(13) Uani 1 1 d .
H66 H 0.6189 1.0143 0.1936 0.045 Uiso 1 1 calc R
C71 C 0.6465(4) 0.66967(17) -0.06668(16) 0.0188(9) Uani 1 1 d .
C72 C 0.6004(4) 0.65464(18) -0.12326(16) 0.0180(9) Uani 1 1 d .
C73 C 0.6032(4) 0.59070(18) -0.13208(15) 0.0179(9) Uani 1 1 d .
C74 C 0.5679(4) 0.55742(17) -0.08317(15) 0.0171(9) Uani 1 1 d .
C75 C 0.8509(4) 0.80389(17) -0.06378(17) 0.0181(9) Uani 1 1 d .
C76 C 0.7724(4) 0.84131(18) -0.10428(17) 0.0210(9) Uani 1 1 d .
C77 C 0.7241(4) 0.89499(18) -0.08084(16) 0.0206(9) Uani 1 1 d .
C78 C 0.8262(4) 0.93436(18) -0.05302(16) 0.0199(9) Uani 1 1 d .
C79 C 1.4024(4) 0.67176(18) 0.08713(16) 0.0196(9) Uani 1 1 d .
C80 C 1.3270(4) 0.66136(18) 0.13684(16) 0.0202(9) Uani 1 1 d .
C81 C 1.1876(4) 0.64230(18) 0.12530(16) 0.0196(9) Uani 1 1 d .
C82 C 1.1119(4) 0.67777(17) 0.08335(16) 0.0177(9) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O9 Ag1 O5 . . 157.15(11) y
O9 Ag1 S2 . . 109.86(8) y
O5 Ag1 S2 . . 89.69(9) y
O9 Ag1 S5 . . 100.20(8) y
O5 Ag1 S5 . . 81.6(1) y
S2 Ag1 S5 . . 113.76(3) y
O9 Ag1 Ag2 . . 78.23(7) y
O5 Ag1 Ag2 . . 79.53(8) y
S2 Ag1 Ag2 . . 159.95(3) y
S5 Ag1 Ag2 . . 81.57(2) y
O6 Ag2 O10 . . 154.76(11) y
O6 Ag2 O1 . . 81.64(11) y
O10 Ag2 O1 . . 110.29(10) y
O6 Ag2 S3 . 1_655 113.95(9) y
O10 Ag2 S3 . 1_655 85.31(8) y
O1 Ag2 S3 . 1_655 104.53(7) y
O6 Ag2 Ag1 . . 80.46(8) y
O10 Ag2 Ag1 . . 76.13(7) y
O1 Ag2 Ag1 . . 138.89(7) y
S3 Ag2 Ag1 1_655 . 116.55(3) y
O6 Ag2 Ag3 . . 92.71(9) y
O10 Ag2 Ag3 . . 77.01(8) y
O1 Ag2 Ag3 . . 56.92(7) y
S3 Ag2 Ag3 1_655 . 145.97(3) y
Ag1 Ag2 Ag3 . . 87.326(12) y
O2 Ag3 S5 . . 122.77(8) y
O2 Ag3 O12 . 1_455 95.52(11) y
S5 Ag3 O12 . 1_455 95.54(8) y
O2 Ag3 S4 . 3_665 107.64(8) y
S5 Ag3 S4 . 3_665 127.30(4) y
O12 Ag3 S4 1_455 3_665 93.86(8) y
O2 Ag3 Ag2 . . 82.60(7) y
S5 Ag3 Ag2 . . 79.92(3) y
O12 Ag3 Ag2 1_455 . 172.95(8) y
S4 Ag3 Ag2 3_665 . 93.18(3) y
O8 Ag4 O7 3_775 . 136.08(12) y
O8 Ag4 S6 3_775 . 97.24(9) y
O7 Ag4 S6 . . 78.43(8) y
O8 Ag4 S2 3_775 . 110.26(9) y
O7 Ag4 S2 . . 104.23(8) y
S6 Ag4 S2 . . 131.70(3) y
O8 Ag4 Ag4 3_775 3_775 79.21(8) y
O7 Ag4 Ag4 . 3_775 69.66(8) y
S6 Ag4 Ag4 . 3_775 126.37(3) y
S2 Ag4 Ag4 . 3_775 98.00(3) y
O3 Ag5 O4 . 3_665 138.92(11) y
O3 Ag5 O11 . 3_765 103.96(11) y
O4 Ag5 O11 3_665 3_765 90.92(10) y
O3 Ag5 S4 . . 118.16(9) y
O4 Ag5 S4 3_665 . 99.19(8) y
O11 Ag5 S4 3_765 . 91.22(8) y
O3 Ag5 Ag5 . 3_665 77.51(8) y
O4 Ag5 Ag5 3_665 3_665 75.89(7) y
O11 Ag5 Ag5 3_765 3_665 159.25(7) y
S4 Ag5 Ag5 . 3_665 106.47(3) y
O11 Ag6 O2 . 1_655 98.67(10) y
O11 Ag6 S1 . . 113.80(7) y
O2 Ag6 S1 1_655 . 102.36(7) y
O11 Ag6 S3 . 1_655 89.88(8) y
O2 Ag6 S3 1_655 1_655 158.89(7) y
S1 Ag6 S3 . 1_655 91.60(3) y
C11 S1 C17 . . 103.7(2) y
C11 S1 Ag6 . . 107.55(14) y
C17 S1 Ag6 . . 98.88(14) y
C21 S2 C19 . . 103.4(2) y
C21 S2 Ag1 . . 114.40(14) y
C19 S2 Ag1 . . 104.64(14) y
C21 S2 Ag4 . . 112.08(14) y
C19 S2 Ag4 . . 100.04(13) y
Ag1 S2 Ag4 . . 119.41(4) y
C31 S3 C37 . . 102.7(2) y
C31 S3 Ag2 . 1_455 107.94(15) y
C37 S3 Ag2 . 1_455 109.88(15) y
C31 S3 Ag6 . 1_455 104.62(16) y
C37 S3 Ag6 . 1_455 122.48(16) y
Ag2 S3 Ag6 1_455 1_455 108.19(4) y
C41 S4 C39 . . 102.7(2) y
C41 S4 Ag3 . 3_665 108.38(14) y
C39 S4 Ag3 . 3_665 120.44(14) y
C41 S4 Ag5 . . 112.48(15) y
C39 S4 Ag5 . . 109.43(14) y
Ag3 S4 Ag5 3_665 . 103.65(4) y
C51 S5 C57 . . 103.0(2) y
C51 S5 Ag3 . . 110.31(14) y
C57 S5 Ag3 . . 104.01(14) y
C51 S5 Ag1 . . 117.80(16) y
C57 S5 Ag1 . . 110.17(14) y
Ag3 S5 Ag1 . . 110.44(4) y
C61 S6 C59 . . 103.4(2) y
C61 S6 Ag4 . . 109.68(17) y
C59 S6 Ag4 . . 99.99(15) y
C71 O1 Ag2 . . 124.1(3) y
C71 O2 Ag3 . . 101.2(3) y
C71 O2 Ag6 . 1_455 116.2(3) y
Ag3 O2 Ag6 . 1_455 105.85(11) y
C74 O3 Ag5 . . 117.3(3) y
C74 O4 Ag5 . 3_665 115.4(3) y
C75 O5 Ag1 . . 122.3(3) y
C75 O6 Ag2 . . 121.2(3) y
C78 O7 Ag4 . . 121.8(3) y
C78 O8 Ag4 . 3_775 114.0(3) y
C82 O9 Ag1 . . 117.6(3) y
C82 O10 Ag2 . . 116.3(3) y
C79 O11 Ag6 . . 115.7(3) y
C79 O11 Ag5 . 3_765 126.8(3) y
Ag6 O11 Ag5 . 3_765 98.17(10) y
C79 O12 Ag3 . 1_655 117.7(3) y
C16 C11 C12 . . 120.6(4) y
C16 C11 S1 . . 118.1(4) y
C12 C11 S1 . . 121.3(3) y
C13 C12 C11 . . 118.9(5) y
C13 C12 H12 . . 120.6 ?
C11 C12 H12 . . 120.6 ?
C12 C13 C14 . . 121.5(5) y
C12 C13 H13 . . 119.3 ?
C14 C13 H13 . . 119.3 ?
C13 C14 C15 . . 119.5(5) y
C13 C14 H14 . . 120.3 ?
C15 C14 H14 . . 120.3 ?
C14 C15 C16 . . 120.0(5) y
C14 C15 H15 . . 120 ?
C16 C15 H15 . . 120 ?
C11 C16 C15 . . 119.6(5) y
C11 C16 H16 . . 120.2 ?
C15 C16 H16 . . 120.2 ?
C18 C17 S1 . . 115.0(3) y
C18 C17 H17A . . 108.5 ?
S1 C17 H17A . . 108.5 ?
C18 C17 H17B . . 108.5 ?
S1 C17 H17B . . 108.5 ?
H17A C17 H17B . . 107.5 ?
C19 C18 C17 . . 119.2(4) y
C19 C18 H18A . . 107.5 ?
C17 C18 H18A . . 107.5 ?
C19 C18 H18B . . 107.5 ?
C17 C18 H18B . . 107.5 ?
H18A C18 H18B . . 107 ?
C18 C19 S2 . . 118.0(3) y
C18 C19 H19A . . 107.8 ?
S2 C19 H19A . . 107.8 ?
C18 C19 H19B . . 107.8 ?
S2 C19 H19B . . 107.8 ?
H19A C19 H19B . . 107.2 ?
C22 C21 C26 . . 121.9(4) y
C22 C21 S2 . . 119.9(3) y
C26 C21 S2 . . 118.2(3) y
C21 C22 C23 . . 118.7(4) y
C21 C22 H22 . . 120.7 ?
C23 C22 H22 . . 120.7 ?
C24 C23 C22 . . 120.5(4) y
C24 C23 H23 . . 119.7 ?
C22 C23 H23 . . 119.7 ?
C23 C24 C25 . . 119.4(4) y
C23 C24 H24 . . 120.3 ?
C25 C24 H24 . . 120.3 ?
C26 C25 C24 . . 120.7(4) y
C26 C25 H25 . . 119.6 ?
C24 C25 H25 . . 119.6 ?
C25 C26 C21 . . 118.7(4) y
C25 C26 H26 . . 120.6 ?
C21 C26 H26 . . 120.6 ?
C36 C31 C32 . . 121.3(4) y
C36 C31 S3 . . 119.1(4) y
C32 C31 S3 . . 119.6(3) y
C33 C32 C31 . . 119.0(5) y
C33 C32 H32 . . 120.5 ?
C31 C32 H32 . . 120.5 ?
C32 C33 C34 . . 119.2(5) y
C32 C33 H33 . . 120.4 ?
C34 C33 H33 . . 120.4 ?
C35 C34 C33 . . 120.9(5) y
C35 C34 H34 . . 119.5 ?
C33 C34 H34 . . 119.5 ?
C34 C35 C36 . . 120.7(5) y
C34 C35 H35 . . 119.7 ?
C36 C35 H35 . . 119.7 ?
C31 C36 C35 . . 118.9(5) y
C31 C36 H36 . . 120.6 ?
C35 C36 H36 . . 120.6 ?
C38 C37 S3 . . 112.3(3) y
C38 C37 H37A . . 109.1 ?
S3 C37 H37A . . 109.1 ?
C38 C37 H37B . . 109.1 ?
S3 C37 H37B . . 109.1 ?
H37A C37 H37B . . 107.9 ?
C37 C38 C39 . . 112.7(3) y
C37 C38 H38A . . 109 ?
C39 C38 H38A . . 109 ?
C37 C38 H38B . . 109 ?
C39 C38 H38B . . 109 ?
H38A C38 H38B . . 107.8 ?
C38 C39 S4 . . 110.3(3) y
C38 C39 H39A . . 109.6 ?
S4 C39 H39A . . 109.6 ?
C38 C39 H39B . . 109.6 ?
S4 C39 H39B . . 109.6 ?
H39A C39 H39B . . 108.1 ?
C42 C41 C46 . . 121.5(4) y
C42 C41 S4 . . 119.4(3) y
C46 C41 S4 . . 119.0(3) y
C41 C42 C43 . . 118.4(4) y
C41 C42 H42 . . 120.8 ?
C43 C42 H42 . . 120.8 ?
C44 C43 C42 . . 120.5(5) y
C44 C43 H43 . . 119.7 ?
C42 C43 H43 . . 119.7 ?
C45 C44 C43 . . 120.2(5) y
C45 C44 H44 . . 119.9 ?
C43 C44 H44 . . 119.9 ?
C44 C45 C46 . . 120.7(5) y
C44 C45 H45 . . 119.7 ?
C46 C45 H45 . . 119.7 ?
C45 C46 C41 . . 118.7(5) y
C45 C46 H46 . . 120.7 ?
C41 C46 H46 . . 120.7 ?
C56 C51 C52 . . 121.5(4) y
C56 C51 S5 . . 120.7(4) y
C52 C51 S5 . . 117.8(3) y
C53 C52 C51 . . 118.2(5) y
C53 C52 H52 . . 120.9 ?
C51 C52 H52 . . 120.9 ?
C54 C53 C52 . . 120.9(5) y
C54 C53 H53 . . 119.5 ?
C52 C53 H53 . . 119.5 ?
C53 C54 C55 . . 119.9(5) y
C53 C54 H54 . . 120.1 ?
C55 C54 H54 . . 120.1 ?
C54 C55 C56 . . 121.2(5) y
C54 C55 H55 . . 119.4 ?
C56 C55 H55 . . 119.4 ?
C55 C56 C51 . . 118.3(5) y
C55 C56 H56 . . 120.9 ?
C51 C56 H56 . . 120.9 ?
C58 C57 S5 . . 111.3(3) y
C58 C57 H57A . . 109.4 ?
S5 C57 H57A . . 109.4 ?
C58 C57 H57B . . 109.4 ?
S5 C57 H57B . . 109.4 ?
H57A C57 H57B . . 108 ?
C57 C58 C59 . . 110.6(4) y
C57 C58 H58A . . 109.5 ?
C59 C58 H58A . . 109.5 ?
C57 C58 H58B . . 109.5 ?
C59 C58 H58B . . 109.5 ?
H58A C58 H58B . . 108.1 ?
C58 C59 S6 . . 113.2(3) y
C58 C59 H59A . . 108.9 ?
S6 C59 H59A . . 108.9 ?
C58 C59 H59B . . 108.9 ?
S6 C59 H59B . . 108.9 ?
H59A C59 H59B . . 107.7 ?
C62 C61 C66 . . 119.6(5) y
C62 C61 S6 . . 119.8(4) y
C66 C61 S6 . . 120.4(4) y
C61 C62 C63 . . 119.3(5) y
C61 C62 H62 . . 120.3 ?
C63 C62 H62 . . 120.3 ?
C64 C63 C62 . . 120.1(6) y
C64 C63 H63 . . 120 ?
C62 C63 H63 . . 120 ?
C65 C64 C63 . . 120.8(5) y
C65 C64 H64 . . 119.6 ?
C63 C64 H64 . . 119.6 ?
C64 C65 C66 . . 119.3(5) y
C64 C65 H65 . . 120.4 ?
C66 C65 H65 . . 120.4 ?
C61 C66 C65 . . 120.9(6) y
C61 C66 H66 . . 119.5 ?
C65 C66 H66 . . 119.5 ?
O1 C71 O2 . . 128.0(4) y
O1 C71 C72 . . 112.8(4) y
O2 C71 C72 . . 119.2(4) y
F2 C72 F1 . . 106.2(3) y
F2 C72 C71 . . 111.8(3) y
F1 C72 C71 . . 110.2(3) y
F2 C72 C73 . . 108.6(3) y
F1 C72 C73 . . 108.7(3) y
C71 C72 C73 . . 111.2(3) y
F3 C73 F4 . . 106.5(3) y
F3 C73 C74 . . 111.2(3) y
F4 C73 C74 . . 108.1(3) y
F3 C73 C72 . . 109.3(3) y
F4 C73 C72 . . 108.9(3) y
C74 C73 C72 . . 112.6(3) y
O3 C74 O4 . . 129.9(4) y
O3 C74 C73 . . 116.6(4) y
O4 C74 C73 . . 113.6(4) y
O6 C75 O5 . . 130.6(4) y
O6 C75 C76 . . 115.5(4) y
O5 C75 C76 . . 113.8(4) y
F5 C76 F6 . . 105.5(3) y
F5 C76 C77 . . 109.3(4) y
F6 C76 C77 . . 108.7(3) y
F5 C76 C75 . . 110.5(3) y
F6 C76 C75 . . 109.1(4) y
C77 C76 C75 . . 113.4(3) y
F7 C77 F8 . . 106.5(4) y
F7 C77 C76 . . 106.2(3) y
F8 C77 C76 . . 107.6(3) y
F7 C77 C78 . . 110.9(3) y
F8 C77 C78 . . 107.8(3) y
C76 C77 C78 . . 117.3(4) y
O7 C78 O8 . . 129.4(4) y
O7 C78 C77 . . 117.1(4) y
O8 C78 C77 . . 113.4(4) y
O12 C79 O11 . . 130.3(4) y
O12 C79 C80 . . 117.4(4) y
O11 C79 C80 . . 112.4(4) y
F11 C80 F12 . . 106.1(3) y
F11 C80 C81 . . 108.9(3) y
F12 C80 C81 . . 108.0(4) y
F11 C80 C79 . . 110.6(4) y
F12 C80 C79 . . 108.4(3) y
C81 C80 C79 . . 114.5(3) y
F10 C81 F9 . . 106.4(3) y
F10 C81 C80 . . 109.5(4) y
F9 C81 C80 . . 108.1(3) y
F10 C81 C82 . . 111.0(3) y
F9 C81 C82 . . 107.8(3) y
C80 C81 C82 . . 113.8(3) y
O10 C82 O9 . . 129.2(4) y
O10 C82 C81 . . 116.2(4) y
O9 C82 C81 . . 114.6(4) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O9 . 2.256(3) y
Ag1 O5 . 2.271(3) y
Ag1 S2 . 2.5912(10) y
Ag1 S5 . 2.7768(11) y
Ag1 Ag2 . 2.9474(4) y
Ag2 O6 . 2.271(3) y
Ag2 O10 . 2.325(3) y
Ag2 O1 . 2.420(3) y
Ag2 S3 1_655 2.6355(11) y
Ag2 Ag3 . 3.2807(5) y
Ag3 O2 . 2.365(3) y
Ag3 S5 . 2.4622(10) y
Ag3 O12 1_455 2.474(3) y
Ag3 S4 3_665 2.5623(10) y
Ag4 O8 3_775 2.309(3) y
Ag4 O7 . 2.377(3) y
Ag4 S6 . 2.6194(12) y
Ag4 S2 . 2.6578(11) y
Ag4 Ag4 3_775 3.1392(6) y
Ag5 O3 . 2.248(3) y
Ag5 O4 3_665 2.330(3) y
Ag5 O11 3_765 2.434(3) y
Ag5 S4 . 2.5666(11) y
Ag5 Ag5 3_665 2.9590(6) y
Ag6 O11 . 2.362(3) y
Ag6 O2 1_655 2.494(3) y
Ag6 S1 . 2.5859(10) y
Ag6 S3 1_655 2.6829(11) y
S1 C11 . 1.791(4) y
S1 C17 . 1.826(4) y
S2 C21 . 1.792(4) y
S2 C19 . 1.831(4) y
S3 C31 . 1.783(4) y
S3 C37 . 1.832(4) y
S3 Ag2 1_455 2.6355(11) y
S3 Ag6 1_455 2.6829(11) y
S4 C41 . 1.786(4) y
S4 C39 . 1.824(4) y
S4 Ag3 3_665 2.5623(10) y
S5 C51 . 1.790(4) y
S5 C57 . 1.827(4) y
S6 C61 . 1.781(5) y
S6 C59 . 1.826(4) y
F1 C72 . 1.362(5) y
F2 C72 . 1.357(5) y
F3 C73 . 1.343(5) y
F4 C73 . 1.378(5) y
F5 C76 . 1.342(5) y
F6 C76 . 1.372(5) y
F7 C77 . 1.363(5) y
F8 C77 . 1.371(5) y
F9 C81 . 1.373(5) y
F10 C81 . 1.351(5) y
F11 C80 . 1.356(5) y
F12 C80 . 1.364(5) y
O1 C71 . 1.243(5) y
O2 C71 . 1.247(5) y
O2 Ag6 1_455 2.494(3) y
O3 C74 . 1.236(5) y
O4 C74 . 1.258(5) y
O4 Ag5 3_665 2.330(3) y
O5 C75 . 1.242(5) y
O6 C75 . 1.227(5) y
O7 C78 . 1.233(5) y
O8 C78 . 1.247(5) y
O8 Ag4 3_775 2.309(3) y
O9 C82 . 1.252(5) y
O10 C82 . 1.250(5) y
O11 C79 . 1.267(5) y
O11 Ag5 3_765 2.434(3) y
O12 C79 . 1.223(6) y
O12 Ag3 1_655 2.474(3) y
C11 C16 . 1.380(6) y
C11 C12 . 1.389(6) y
C12 C13 . 1.375(6) y
C12 H12 . 0.95 ?
C13 C14 . 1.375(8) y
C13 H13 . 0.95 ?
C14 C15 . 1.384(8) y
C14 H14 . 0.95 ?
C15 C16 . 1.391(7) y
C15 H15 . 0.95 ?
C16 H16 . 0.95 ?
C17 C18 . 1.527(6) y
C17 H17A . 0.99 ?
C17 H17B . 0.99 ?
C18 C19 . 1.521(6) y
C18 H18A . 0.99 ?
C18 H18B . 0.99 ?
C19 H19A . 0.99 ?
C19 H19B . 0.99 ?
C21 C22 . 1.380(6) y
C21 C26 . 1.394(6) y
C22 C23 . 1.398(6) y
C22 H22 . 0.95 ?
C23 C24 . 1.394(7) y
C23 H23 . 0.95 ?
C24 C25 . 1.395(7) y
C24 H24 . 0.95 ?
C25 C26 . 1.386(7) y
C25 H25 . 0.95 ?
C26 H26 . 0.95 ?
C31 C36 . 1.373(6) y
C31 C32 . 1.385(7) y
C32 C33 . 1.384(7) y
C32 H32 . 0.95 ?
C33 C34 . 1.395(8) y
C33 H33 . 0.95 ?
C34 C35 . 1.345(8) y
C34 H34 . 0.95 ?
C35 C36 . 1.388(7) y
C35 H35 . 0.95 ?
C36 H36 . 0.95 ?
C37 C38 . 1.523(6) y
C37 H37A . 0.99 ?
C37 H37B . 0.99 ?
C38 C39 . 1.525(5) y
C38 H38A . 0.99 ?
C38 H38B . 0.99 ?
C39 H39A . 0.99 ?
C39 H39B . 0.99 ?
C41 C42 . 1.380(6) y
C41 C46 . 1.392(6) y
C42 C43 . 1.397(6) y
C42 H42 . 0.95 ?
C43 C44 . 1.376(7) y
C43 H43 . 0.95 ?
C44 C45 . 1.376(7) y
C44 H44 . 0.95 ?
C45 C46 . 1.382(6) y
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C51 C56 . 1.389(6) y
C51 C52 . 1.390(6) y
C52 C53 . 1.386(6) y
C52 H52 . 0.95 ?
C53 C54 . 1.373(8) y
C53 H53 . 0.95 ?
C54 C55 . 1.374(8) y
C54 H54 . 0.95 ?
C55 C56 . 1.379(7) y
C55 H55 . 0.95 ?
C56 H56 . 0.95 ?
C57 C58 . 1.520(6) y
C57 H57A . 0.99 ?
C57 H57B . 0.99 ?
C58 C59 . 1.532(6) y
C58 H58A . 0.99 ?
C58 H58B . 0.99 ?
C59 H59A . 0.99 ?
C59 H59B . 0.99 ?
C61 C62 . 1.380(7) y
C61 C66 . 1.382(7) y
C62 C63 . 1.404(7) y
C62 H62 . 0.95 ?
C63 C64 . 1.374(8) y
C63 H63 . 0.95 ?
C64 C65 . 1.368(9) y
C64 H64 . 0.95 ?
C65 C66 . 1.390(8) y
C65 H65 . 0.95 ?
C66 H66 . 0.95 ?
C71 C72 . 1.538(5) y
C72 C73 . 1.551(6) y
C73 C74 . 1.551(5) y
C75 C76 . 1.561(6) y
C76 C77 . 1.521(6) y
C77 C78 . 1.560(6) y
C79 C80 . 1.561(6) y
C80 C81 . 1.535(6) y
C81 C82 . 1.545(6) y
