#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:31:12 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175967 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/35/7223581.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_7223581
loop_
_publ_author_name
'Ovsyannikov, A. S.'
'Noamane, M. H.'
'Abidi, R.'
'Ferlay, S.'
'Solovieva, S. E.'
'Antipin, I. S.'
'Konovalov, A. I.'
'Kyritsakas, N.'
'Hosseini, M. W.'
_publ_section_title
;
 Molecular tectonics: dimensionality and geometry control of silver
 coordination networks based on pyrazolyl appended thiacalixarenes
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              691
_journal_paper_doi               10.1039/C5CE02310F
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety
'2(C68 H88 Ag2 N8 S8), 4(F6 Sb), 7(C H Cl2), 2(H2 O)'
_chemical_formula_sum            'C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4'
_chemical_formula_weight         4793.96
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-11-23 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                99.994(3)
_cell_angle_beta                 113.120(2)
_cell_angle_gamma                115.1260(17)
_cell_formula_units_Z            1
_cell_length_a                   18.8461(13)
_cell_length_b                   19.0515(11)
_cell_length_c                   19.1473(10)
_cell_measurement_reflns_used    57000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.54
_cell_measurement_theta_min      2.54
_cell_volume                     5224.5(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0321
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_laue_measured_fraction_full 0.962
_diffrn_reflns_laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57782
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.548
_diffrn_reflns_theta_min         1.946
_exptl_absorpt_coefficient_mu    1.371
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_correction_T_min  0.921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2394
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.937
_refine_diff_density_min         -1.603
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1096
_refine_ls_number_reflns         25186
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1408P)²+9.4567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2203
_refine_ls_wR_factor_ref         0.2441
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17599
_reflns_number_total             25186
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce02310f1.cif
_cod_data_source_block           e3314a_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7223579--7223589.cif.
;
_cod_database_code               7223581
_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   0.922
_shelx_estimated_absorpt_t_max   0.935
loop_
_space_group_symop_operation_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_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
O1 O 0.4931(8) 0.9555(11) 0.9078(8) 0.070(5) Uani 0.416(14) 1 d . . P A 1
Ag1 Ag 0.26365(3) 0.83152(3) 0.05379(3) 0.03850(13) Uani 1 1 d . . . B 4
Ag2 Ag 0.5000 0.5000 0.0000 0.0818(4) Uani 1 2 d S . P B 4
Ag3 Ag 0.5000 0.5000 0.5000 0.0739(3) Uani 1 2 d S . P B 4
S1 S 0.40725(9) 0.89239(8) 0.40667(8) 0.0264(3) Uani 1 1 d . . . B 4
C1 C 0.4546(3) 0.9119(3) 0.3419(3) 0.0229(10) Uani 1 1 d . . . B 4
C2 C 0.4057(3) 0.8605(3) 0.2568(3) 0.0228(10) Uani 1 1 d . . . B 4
C3 C 0.4529(3) 0.8812(3) 0.2144(3) 0.0221(9) Uani 1 1 d . . . B 4
C4 C 0.5411(3) 0.9513(3) 0.2547(3) 0.0258(10) Uani 1 1 d . . . B 4
H4 H 0.5716 0.9626 0.2248 0.031 Uiso 1 1 calc R U . B 4
C5 C 0.5873(3) 1.0063(3) 0.3374(3) 0.0268(10) Uani 1 1 d . . . B 4
C6 C 0.5417(3) 0.9835(3) 0.3802(3) 0.0256(10) Uani 1 1 d . . . B 4
H6 H 0.5716 1.0185 0.4373 0.031 Uiso 1 1 calc R U . B 4
S2 S 0.28943(8) 0.77408(9) 0.20230(8) 0.0302(3) Uani 1 1 d . . . B 4
C7 C 0.2286(4) 0.8241(4) 0.2106(4) 0.0381(13) Uani 1 1 d . . . B 4
H7A H 0.2410 0.8433 0.2680 0.046 Uiso 1 1 calc R U . B 4
H7B H 0.2484 0.8741 0.1967 0.046 Uiso 1 1 calc R U . B 4
C8 C 0.1256(4) 0.7572(4) 0.1487(4) 0.0397(14) Uani 1 1 d . . . B 4
H8A H 0.1178 0.7217 0.0986 0.048 Uiso 1 1 calc R U . B 4
H8B H 0.1018 0.7196 0.1745 0.048 Uiso 1 1 calc R U . B 4
C9 C 0.0691(4) 0.7963(5) 0.1225(4) 0.0433(15) Uani 1 1 d . . . B 4
H9A H 0.0031 0.7515 0.0947 0.052 Uiso 1 1 calc R U . B 4
H9B H 0.0854 0.8396 0.1729 0.052 Uiso 1 1 calc R U . B 4
C10 C 0.0840(4) 0.8375(4) 0.0644(4) 0.0393(14) Uani 1 1 d . . . B 4
H10A H 0.0510 0.8670 0.0553 0.047 Uiso 1 1 calc R U . B 4
H10B H 0.1504 0.8810 0.0918 0.047 Uiso 1 1 calc R U . B 4
N1 N 0.0535(3) 0.7787(3) -0.0164(3) 0.0346(11) Uani 1 1 d . . . B 4
N2 N 0.1121(3) 0.7644(3) -0.0315(3) 0.0381(11) Uani 1 1 d . . . B 4
C11 C 0.0592(5) 0.7078(4) -0.1118(4) 0.0490(16) Uani 1 1 d . . . B 4
H11 H 0.0811 0.6859 -0.1410 0.059 Uiso 1 1 calc R U . B 4
C12 C -0.0292(5) 0.6862(5) -0.1452(4) 0.0560(19) Uani 1 1 d . . . B 4
H12 H -0.0794 0.6475 -0.2002 0.067 Uiso 1 1 calc R U . B 4
C13 C -0.0308(4) 0.7320(4) -0.0829(4) 0.0444(15) Uani 1 1 d . . . B 4
H13 H -0.0832 0.7306 -0.0867 0.053 Uiso 1 1 calc R U . B 4
C14 C 0.6855(4) 1.0837(4) 0.3808(4) 0.0380(14) Uani 1 1 d . . . B 4
C15 C 0.7497(5) 1.0520(6) 0.3998(5) 0.064(2) Uani 1 1 d . . . B 4
H15A H 0.7371 1.0159 0.4297 0.096 Uiso 1 1 calc R U . B 4
H15B H 0.8136 1.1006 0.4344 0.096 Uiso 1 1 calc R U . B 4
H15C H 0.7396 1.0191 0.3476 0.096 Uiso 1 1 calc R U . B 4
C16 C 0.7136(5) 1.1472(5) 0.4620(4) 0.056(2) Uani 1 1 d . . . B 4
H16A H 0.6720 1.1674 0.4509 0.085 Uiso 1 1 calc R U . B 4
H16B H 0.7767 1.1954 0.4872 0.085 Uiso 1 1 calc R U . B 4
H16C H 0.7101 1.1196 0.5003 0.085 Uiso 1 1 calc R U . B 4
C17 C 0.6947(5) 1.1302(5) 0.3240(5) 0.061(2) Uani 1 1 d . . . B 4
H17A H 0.6727 1.0899 0.2696 0.091 Uiso 1 1 calc R U . B 4
H17B H 0.7593 1.1752 0.3492 0.091 Uiso 1 1 calc R U . B 4
H17C H 0.6578 1.1554 0.3170 0.091 Uiso 1 1 calc R U . B 4
S3 S 0.40126(8) 0.82533(8) 0.10539(7) 0.0244(3) Uani 1 1 d . . . B 4
C18 C 0.3687(3) 0.7186(3) 0.0915(3) 0.0236(10) Uani 1 1 d . . . B 4
C19 C 0.4361(3) 0.7000(3) 0.1218(3) 0.0244(10) Uani 1 1 d . . . B 4
C20 C 0.4060(4) 0.6156(3) 0.1117(3) 0.0272(11) Uani 1 1 d . . . B 4
C21 C 0.3122(4) 0.5528(3) 0.0667(3) 0.0286(11) Uani 1 1 d . . . B 4
H21 H 0.2936 0.4959 0.0589 0.034 Uiso 1 1 calc R U . B 4
C22 C 0.2456(3) 0.5704(3) 0.0330(3) 0.0271(10) Uani 1 1 d . . . B 4
C23 C 0.2757(3) 0.6551(3) 0.0472(3) 0.0263(10) Uani 1 1 d . . . B 4
H23 H 0.2315 0.6696 0.0262 0.032 Uiso 1 1 calc R U . B 4
S4 S 0.55377(9) 0.77795(9) 0.16340(9) 0.0323(3) Uani 1 1 d . . . B 4
C24 C 0.5471(4) 0.7738(5) 0.0652(4) 0.0462(16) Uani 1 1 d . . . B 4
H24A H 0.5042 0.7901 0.0361 0.055 Uiso 1 1 calc R U . B 4
H24B H 0.6085 0.8159 0.0768 0.055 Uiso 1 1 calc R U . B 4
C25 C 0.5151(5) 0.6871(4) 0.0086(4) 0.0454(15) Uani 1 1 d . . . B 4
H25A H 0.4542 0.6446 -0.0024 0.055 Uiso 1 1 calc R U . B 4
H25B H 0.5588 0.6712 0.0368 0.055 Uiso 1 1 calc R U . B 4
C26 C 0.5080(5) 0.6854(5) -0.0751(4) 0.0439(15) Uani 1 1 d . . . B 4
H26A H 0.4590 0.6944 -0.1067 0.053 Uiso 1 1 calc R U . B 4
H26B H 0.5669 0.7320 -0.0643 0.053 Uiso 1 1 calc R U . B 4
C27 C 0.4869(5) 0.6026(5) -0.1250(5) 0.0471(17) Uani 1 1 d . . . B 4
H27A H 0.4884 0.6048 -0.1757 0.056 Uiso 1 1 calc R U . B 4
H27B H 0.5352 0.5934 -0.0921 0.056 Uiso 1 1 calc R U . B 4
N3 N 0.3985(5) 0.5317(4) -0.1492(4) 0.0513(15) Uani 1 1 d . . . B 4
N4 N 0.3894(6) 0.4864(4) -0.1015(5) 0.063(2) Uani 1 1 d . . . B 4
C28 C 0.3023(9) 0.4301(6) -0.1374(8) 0.084(3) Uani 1 1 d . . . B 4
H28 H 0.2772 0.3897 -0.1172 0.101 Uiso 1 1 calc R U . B 4
C29 C 0.2505(10) 0.4356(8) -0.2080(9) 0.105(4) Uani 1 1 d . . . B 4
H29 H 0.1856 0.4020 -0.2443 0.126 Uiso 1 1 calc R U . B 4
C30 C 0.3159(7) 0.5027(7) -0.2143(6) 0.078(3) Uani 1 1 d . . . B 4
H30 H 0.3036 0.5232 -0.2567 0.094 Uiso 1 1 calc R U . B 4
C31 C 0.1436(4) 0.5006(4) -0.0163(3) 0.0315(12) Uani 1 1 d . . . B 4
C32 C 0.1238(4) 0.4540(4) 0.0395(4) 0.0441(15) Uani 1 1 d . . . B 4
H32A H 0.1600 0.4282 0.0525 0.066 Uiso 1 1 calc R U . B 4
H32B H 0.0582 0.4096 0.0098 0.066 Uiso 1 1 calc R U . B 4
H32C H 0.1409 0.4949 0.0912 0.066 Uiso 1 1 calc R U . B 4
C33 C 0.0819(4) 0.5350(4) -0.0424(4) 0.0434(15) Uani 1 1 d . . . B 4
H33A H 0.0973 0.5778 0.0069 0.065 Uiso 1 1 calc R U . B 4
H33B H 0.0174 0.4883 -0.0705 0.065 Uiso 1 1 calc R U . B 4
H33C H 0.0915 0.5608 -0.0805 0.065 Uiso 1 1 calc R U . B 4
C34 C 0.1216(5) 0.4372(4) -0.0952(4) 0.0496(17) Uani 1 1 d . . . B 4
H34A H 0.1345 0.4665 -0.1302 0.074 Uiso 1 1 calc R U . B 4
H34B H 0.0566 0.3911 -0.1261 0.074 Uiso 1 1 calc R U . B 4
H34C H 0.1598 0.4137 -0.0795 0.074 Uiso 1 1 calc R U . B 4
S5 S 0.48287(10) 0.58200(10) 0.15039(9) 0.0352(3) Uani 1 1 d . . . B 4
C35 C 0.5454(4) 0.6411(4) 0.2605(4) 0.0335(12) Uani 1 1 d . . . B 4
C36 C 0.5019(4) 0.6272(4) 0.3061(3) 0.0311(11) Uani 1 1 d . . . B 4
C37 C 0.5567(4) 0.6758(4) 0.3927(4) 0.0315(11) Uani 1 1 d . . . B 4
C38 C 0.6503(4) 0.7338(4) 0.4310(4) 0.0410(14) Uani 1 1 d . . . B 4
H38 H 0.6860 0.7658 0.4895 0.049 Uiso 1 1 calc DR U . B 4
C39 C 0.6930(4) 0.7459(5) 0.3849(4) 0.0429(15) Uani 1 1 d . . . B 4
C40 C 0.6386(4) 0.6984(4) 0.2991(4) 0.0424(15) Uani 1 1 d . . . B 4
H40 H 0.6664 0.7057 0.2666 0.051 Uiso 1 1 calc R U . B 4
S6 S 0.38365(9) 0.54872(10) 0.25883(9) 0.0344(3) Uani 1 1 d . . . B 4
C41 C 0.3935(4) 0.4591(4) 0.2657(5) 0.0431(15) Uani 1 1 d . . . B 4
H41A H 0.4194 0.4468 0.2327 0.052 Uiso 1 1 calc R U . B 4
H41B H 0.4347 0.4720 0.3243 0.052 Uiso 1 1 calc R U . B 4
C42 C 0.2974(4) 0.3829(4) 0.2316(4) 0.0475(16) Uani 1 1 d . . . B 4
H42A H 0.2577 0.3698 0.1725 0.057 Uiso 1 1 calc R U . B 4
H42B H 0.2709 0.3978 0.2627 0.057 Uiso 1 1 calc R U . B 4
C43 C 0.2971(6) 0.3039(5) 0.2380(4) 0.0543(18) Uani 1 1 d . . . B 4
H43A H 0.2326 0.2548 0.2070 0.065 Uiso 1 1 calc R U . B 4
H43B H 0.3283 0.2921 0.2108 0.065 Uiso 1 1 calc R U . B 4
C44 C 0.3438(5) 0.3116(5) 0.3267(4) 0.0473(16) Uani 1 1 d . . . B 4
H44A H 0.3365 0.2566 0.3253 0.057 Uiso 1 1 calc R U . B 4
H44B H 0.4104 0.3550 0.3556 0.057 Uiso 1 1 calc R U . B 4
N5 N 0.3065(4) 0.3347(3) 0.3733(3) 0.0416(12) Uani 1 1 d . . . B 4
N6 N 0.3557(4) 0.4080(4) 0.4394(4) 0.0476(14) Uani 1 1 d . . . B 4
C45 C 0.2984(7) 0.4093(6) 0.4614(6) 0.064(2) Uani 1 1 d . . . B 4
H45 H 0.3149 0.4551 0.5065 0.077 Uiso 1 1 calc R U . B 4
C46 C 0.2119(6) 0.3368(7) 0.4117(6) 0.069(2) Uani 1 1 d . . . B 4
H46 H 0.1590 0.3225 0.4154 0.082 Uiso 1 1 calc R U . B 4
C47 C 0.2196(5) 0.2905(5) 0.3562(5) 0.058(2) Uani 1 1 d . . . B 4
H47 H 0.1718 0.2360 0.3125 0.070 Uiso 1 1 calc R U . B 4
C48 C 0.7973(5) 0.8112(6) 0.4273(6) 0.059(2) Uani 1 1 d . . . B 4
C49 C 0.8381(6) 0.8690(8) 0.5158(7) 0.118(5) Uani 1 1 d . . . B 4
H49A H 0.7901 0.8725 0.5216 0.176 Uiso 1 1 calc DR U . B 4
H49B H 0.8872 0.9258 0.5293 0.176 Uiso 1 1 calc R U . B 4
H49C H 0.8633 0.8462 0.5539 0.176 Uiso 1 1 calc R U . B 4
C50 C 0.8140(6) 0.8685(7) 0.3793(8) 0.090(3) Uani 1 1 d . . . B 4
H50A H 0.8749 0.9211 0.4157 0.135 Uiso 1 1 calc R U . B 4
H50B H 0.7669 0.8821 0.3621 0.135 Uiso 1 1 calc R U . B 4
H50C H 0.8108 0.8383 0.3301 0.135 Uiso 1 1 calc R U . B 4
C51 C 0.8434(6) 0.7633(7) 0.4258(8) 0.083(3) Uani 1 1 d . . . B 4
H51A H 0.8289 0.7244 0.4527 0.125 Uiso 1 1 calc R U . B 4
H51B H 0.9101 0.8036 0.4557 0.125 Uiso 1 1 calc R U . B 4
H51C H 0.8211 0.7308 0.3680 0.125 Uiso 1 1 calc R U . B 4
S7 S 0.51317(10) 0.66298(10) 0.46000(9) 0.0337(3) Uani 1 1 d . . . B 4
C52 C 0.4325(4) 0.6938(4) 0.4280(3) 0.0276(11) Uani 1 1 d . . . B 4
C53 C 0.4574(3) 0.7772(3) 0.4342(3) 0.0253(10) Uani 1 1 d . . . B 4
C54 C 0.3870(3) 0.7918(3) 0.4039(3) 0.0244(10) Uani 1 1 d . . . B 4
C55 C 0.2963(4) 0.7284(4) 0.3748(3) 0.0287(11) Uani 1 1 d . . . B 4
H55 H 0.2497 0.7401 0.3545 0.034 Uiso 1 1 calc R U . B 4
C56 C 0.2725(4) 0.6489(3) 0.3748(3) 0.0285(11) Uani 1 1 d . . . B 4
C57 C 0.3432(4) 0.6325(4) 0.4011(3) 0.0299(11) Uani 1 1 d . . . B 4
H57 H 0.3288 0.5780 0.4002 0.036 Uiso 1 1 calc R U . B 4
S8 S 0.57405(9) 0.86076(10) 0.47933(9) 0.0329(3) Uani 1 1 d . . . B 4
C58 C 0.6238(4) 0.8733(4) 0.5874(3) 0.0341(12) Uani 1 1 d . . . B 4
H58A H 0.6090 0.8171 0.5884 0.041 Uiso 1 1 calc R U . B 4
H58B H 0.6915 0.9109 0.6164 0.041 Uiso 1 1 calc R U . B 4
C59 C 0.5906(4) 0.9097(4) 0.6352(4) 0.0360(13) Uani 1 1 d . . . B 4
H59A H 0.5235 0.8705 0.6092 0.043 Uiso 1 1 calc R U . B 4
H59B H 0.6025 0.9648 0.6327 0.043 Uiso 1 1 calc R U . B 4
C60 C 0.6398(4) 0.9224(4) 0.7255(4) 0.0365(13) Uani 1 1 d . . . B 4
H60A H 0.6370 0.8697 0.7272 0.044 Uiso 1 1 calc R U . B 4
H60B H 0.7054 0.9684 0.7533 0.044 Uiso 1 1 calc R U . B 4
C61 C 0.5992(4) 0.9447(4) 0.7734(4) 0.0359(13) Uani 1 1 d . . . B 4
H61A H 0.6029 0.9980 0.7728 0.043 Uiso 1 1 calc R U . B 4
H61B H 0.5335 0.8991 0.7457 0.043 Uiso 1 1 calc R U . B 4
N7 N 0.6476(4) 0.9555(3) 0.8598(3) 0.0381(12) Uani 1 1 d . . . B 4
N8 N 0.7101(4) 1.0332(3) 0.9212(3) 0.0407(12) Uani 1 1 d . . . B 4
C62 C 0.7463(5) 1.0191(5) 0.9891(4) 0.0492(17) Uani 1 1 d . . . B 4
H62 H 0.7925 1.0631 1.0431 0.059 Uiso 1 1 calc R U . B 4
C63 C 0.7086(7) 0.9334(5) 0.9716(5) 0.061(2) Uani 1 1 d . . . B 4
H63 H 0.7223 0.9074 1.0085 0.073 Uiso 1 1 calc R U . B 4
C64 C 0.6459(6) 0.8953(5) 0.8869(5) 0.059(2) Uani 1 1 d . . . B 4
H64 H 0.6080 0.8360 0.8535 0.071 Uiso 1 1 calc R U . B 4
C65 C 0.1733(4) 0.5801(4) 0.3438(4) 0.0363(13) Uani 1 1 d . . . B 4
C66 C 0.1137(5) 0.5567(5) 0.2514(5) 0.065(2) Uani 1 1 d . . . B 4
H66A H 0.1150 0.6067 0.2438 0.098 Uiso 1 1 calc R U . B 4
H66B H 0.0504 0.5113 0.2303 0.098 Uiso 1 1 calc R U . B 4
H66C H 0.1376 0.5371 0.2208 0.098 Uiso 1 1 calc R U . B 4
C67 C 0.1628(5) 0.5006(4) 0.3550(5) 0.0487(16) Uani 1 1 d . . . B 4
H67A H 0.1830 0.4759 0.3237 0.073 Uiso 1 1 calc R U . B 4
H67B H 0.0981 0.4595 0.3346 0.073 Uiso 1 1 calc R U . B 4
H67C H 0.2005 0.5147 0.4142 0.073 Uiso 1 1 calc R U . B 4
C68 C 0.1399(5) 0.6141(5) 0.3940(6) 0.062(2) Uani 1 1 d . . . B 4
H68A H 0.1859 0.6394 0.4535 0.093 Uiso 1 1 calc R U . B 4
H68B H 0.0815 0.5673 0.3824 0.093 Uiso 1 1 calc R U . B 4
H68C H 0.1310 0.6573 0.3782 0.093 Uiso 1 1 calc R U . B 4
Sb1 Sb 0.39903(3) 0.65272(3) 0.64942(3) 0.04868(14) Uani 1 1 d . . . C 4
F1 F 0.5207(5) 0.7120(5) 0.7360(5) 0.138(3) Uani 1 1 d . . . C 4
F4 F 0.4130(8) 0.7466(5) 0.6326(6) 0.153(4) Uani 1 1 d . . . C 4
F3 F 0.4298(5) 0.6210(5) 0.5727(3) 0.0952(19) Uani 1 1 d . . . C 4
F2 F 0.2799(5) 0.5917(6) 0.5654(4) 0.148(4) Uani 1 1 d D . . C 4
F5 F 0.3904(7) 0.5572(5) 0.6668(5) 0.133(3) Uani 1 1 d . . . C 4
F6 F 0.3679(6) 0.6757(6) 0.7268(4) 0.122(3) Uani 1 1 d . . . C 4
Sb2 Sb 0.80310(3) 0.76918(3) 0.04312(3) 0.04128(13) Uani 1 1 d D . . D 4
F9 F 0.8393(9) 0.8791(7) 0.0987(6) 0.160(8) Uani 0.733(14) 1 d D . P E 1
F8 F 0.8860(4) 0.7745(5) 0.1410(3) 0.102(2) Uani 1 1 d D . . . .
F10 F 0.7209(7) 0.7306(12) 0.0732(9) 0.214(11) Uani 0.733(14) 1 d D . P E 1
F11 F 0.7762(11) 0.6665(6) -0.0092(7) 0.210(11) Uani 0.733(14) 1 d D . P E 1
F7 F 0.7201(3) 0.7627(3) -0.0550(3) 0.0645(12) Uani 1 1 d D . . . .
F12 F 0.8916(6) 0.8166(8) 0.0151(7) 0.126(5) Uani 0.733(14) 1 d D . P E 1
C69 C 0.9437(6) 0.9677(5) 0.8685(5) 0.062(2) Uani 1 1 d . . . . .
H69 H 0.9986 1.0261 0.9084 0.075 Uiso 1 1 calc R U . . .
Cl1 Cl 0.86351(19) 0.94103(16) 0.90235(18) 0.0827(7) Uani 1 1 d . . . . .
Cl2 Cl 0.8930(2) 0.9683(2) 0.7713(2) 0.1030(10) Uani 1 1 d . . . . .
Cl3 Cl 0.97945(18) 0.89747(16) 0.86757(18) 0.0851(8) Uani 1 1 d . . . . .
C70 C 0.9484(6) 0.1557(7) 0.6824(6) 0.074(3) Uani 1 1 d . . . . .
H70 H 0.9852 0.1619 0.7401 0.088 Uiso 1 1 calc R U . . .
Cl4 Cl 0.9608(3) 0.2483(3) 0.6877(3) 0.167(2) Uani 1 1 d . . . . .
Cl5 Cl 0.9814(4) 0.1174(4) 0.6230(4) 0.188(2) Uani 1 1 d . . . . .
Cl6 Cl 0.82999(18) 0.0778(2) 0.64134(17) 0.0970(9) Uani 1 1 d . . . . .
C71 C 0.8732(9) 0.0388(9) 0.2264(8) 0.105(4) Uani 1 1 d . . . . .
H71 H 0.8789 0.0087 0.1826 0.126 Uiso 1 1 calc R U . . .
Cl7 Cl 0.7648(4) -0.0071(5) 0.1960(4) 0.261(5) Uani 1 1 d . . . . .
Cl8 Cl 0.9056(8) 0.1424(5) 0.2299(6) 0.268(4) Uani 1 1 d . . . . .
Cl9 Cl 0.9386(9) 0.0429(10) 0.3144(6) 0.403(8) Uani 1 1 d . . . . .
C72 C 0.2359(14) 0.6811(12) 0.7857(12) 0.0765(15) Uani 0.25 1 d D . P . .
H72 H 0.2742 0.6847 0.7605 0.092 Uiso 0.25 1 calc R U P . .
Cl10 Cl 0.2175(7) 0.7617(7) 0.7965(6) 0.0765(15) Uani 0.25 1 d D . P . .
Cl11 Cl 0.1276(6) 0.5867(6) 0.7319(6) 0.0765(15) Uani 0.25 1 d D . P . .
Cl12 Cl 0.2753(7) 0.6717(7) 0.8793(6) 0.0765(15) Uani 0.25 1 d D . P . .
O2 O 0.4141(7) 0.0111(6) 0.9303(6) 0.059(3) Uani 0.584(14) 1 d . . P A 2
C73 C 0.0013(15) 0.3701(15) 0.4857(15) 0.125(3) Uani 0.25 1 d D . P . .
H73 H -0.0381 0.3936 0.4692 0.150 Uiso 0.25 1 calc R U P . .
Cl13 Cl -0.0140(9) 0.2899(10) 0.4114(8) 0.125(3) Uani 0.25 1 d D . P . .
Cl14 Cl -0.0008(10) 0.3205(10) 0.5539(9) 0.125(3) Uani 0.25 1 d D . P . .
Cl15 Cl 0.1178(9) 0.4341(8) 0.5296(9) 0.125(3) Uani 0.25 1 d D . P . .
F9A F 0.8966(9) 0.8644(9) 0.0612(12) 0.091(8) Uiso 0.267(14) 1 d D . P E 2
F12A F 0.8266(11) 0.7038(10) -0.0179(10) 0.059(5) Uiso 0.267(14) 1 d D . P E 2
F11A F 0.7016(10) 0.6638(8) 0.0204(11) 0.063(6) Uiso 0.267(14) 1 d D . P E 2
F10A F 0.7655(12) 0.8235(10) 0.0948(9) 0.057(5) Uiso 0.267(14) 1 d D . P E 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N2 Ag1 N8 94.48(19) . 2_676
N2 Ag1 S3 148.29(13) . .
N8 Ag1 S3 115.70(14) 2_676 .
N4 Ag2 N4 180.0 2_665 .
N6 Ag3 N6 180.0 2_666 .
C54 S1 C1 104.2(2) . .
C6 C1 C2 121.3(4) . .
C6 C1 S1 115.8(4) . .
C2 C1 S1 122.9(4) . .
C1 C2 C3 116.7(4) . .
C1 C2 S2 123.0(4) . .
C3 C2 S2 120.2(4) . .
C4 C3 C2 120.7(4) . .
C4 C3 S3 115.7(4) . .
C2 C3 S3 123.4(4) . .
C3 C4 C5 122.7(4) . .
C3 C4 H4 118.6 . .
C5 C4 H4 118.6 . .
C4 C5 C6 116.3(5) . .
C4 C5 C14 121.6(5) . .
C6 C5 C14 122.0(5) . .
C1 C6 C5 122.0(5) . .
C1 C6 H6 119.0 . .
C5 C6 H6 119.0 . .
C2 S2 C7 103.5(3) . .
C8 C7 S2 106.8(4) . .
C8 C7 H7A 110.4 . .
S2 C7 H7A 110.4 . .
C8 C7 H7B 110.4 . .
S2 C7 H7B 110.4 . .
H7A C7 H7B 108.6 . .
C9 C8 C7 112.9(5) . .
C9 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C10 C9 C8 113.2(5) . .
C10 C9 H9A 108.9 . .
C8 C9 H9A 108.9 . .
C10 C9 H9B 108.9 . .
C8 C9 H9B 108.9 . .
H9A C9 H9B 107.8 . .
N1 C10 C9 114.7(5) . .
N1 C10 H10A 108.6 . .
C9 C10 H10A 108.6 . .
N1 C10 H10B 108.6 . .
C9 C10 H10B 108.6 . .
H10A C10 H10B 107.6 . .
C13 N1 N2 110.9(5) . .
C13 N1 C10 127.2(5) . .
N2 N1 C10 121.9(5) . .
C11 N2 N1 104.3(5) . .
C11 N2 Ag1 128.5(4) . .
N1 N2 Ag1 126.8(4) . .
N2 C11 C12 111.3(6) . .
N2 C11 H11 124.4 . .
C12 C11 H11 124.4 . .
C11 C12 C13 105.4(6) . .
C11 C12 H12 127.3 . .
C13 C12 H12 127.3 . .
N1 C13 C12 108.1(6) . .
N1 C13 H13 125.9 . .
C12 C13 H13 125.9 . .
C15 C14 C16 108.6(6) . .
C15 C14 C5 107.5(6) . .
C16 C14 C5 112.7(5) . .
C15 C14 C17 110.3(6) . .
C16 C14 C17 107.6(6) . .
C5 C14 C17 110.1(5) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C3 S3 C18 104.6(2) . .
C3 S3 Ag1 99.13(16) . .
C18 S3 Ag1 109.25(16) . .
C23 C18 C19 121.4(5) . .
C23 C18 S3 118.5(4) . .
C19 C18 S3 120.0(4) . .
C18 C19 C20 117.1(5) . .
C18 C19 S4 121.1(4) . .
C20 C19 S4 121.5(4) . .
C21 C20 C19 120.2(5) . .
C21 C20 S5 116.8(4) . .
C19 C20 S5 122.9(4) . .
C22 C21 C20 122.5(5) . .
C22 C21 H21 118.7 . .
C20 C21 H21 118.7 . .
C21 C22 C23 117.0(5) . .
C21 C22 C31 121.5(5) . .
C23 C22 C31 121.5(5) . .
C18 C23 C22 121.5(5) . .
C18 C23 H23 119.3 . .
C22 C23 H23 119.3 . .
C19 S4 C24 97.7(3) . .
C25 C24 S4 113.2(5) . .
C25 C24 H24A 108.9 . .
S4 C24 H24A 108.9 . .
C25 C24 H24B 108.9 . .
S4 C24 H24B 108.9 . .
H24A C24 H24B 107.8 . .
C24 C25 C26 111.7(6) . .
C24 C25 H25A 109.3 . .
C26 C25 H25A 109.3 . .
C24 C25 H25B 109.3 . .
C26 C25 H25B 109.3 . .
H25A C25 H25B 107.9 . .
C27 C26 C25 110.2(6) . .
C27 C26 H26A 109.6 . .
C25 C26 H26A 109.6 . .
C27 C26 H26B 109.6 . .
C25 C26 H26B 109.6 . .
H26A C26 H26B 108.1 . .
N3 C27 C26 113.3(5) . .
N3 C27 H27A 108.9 . .
C26 C27 H27A 108.9 . .
N3 C27 H27B 108.9 . .
C26 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
C30 N3 N4 110.2(7) . .
C30 N3 C27 128.3(7) . .
N4 N3 C27 121.4(7) . .
C28 N4 N3 106.7(9) . .
C28 N4 Ag2 128.7(7) . .
N3 N4 Ag2 124.1(6) . .
N4 C28 C29 112.2(9) . .
N4 C28 H28 123.9 . .
C29 C28 H28 123.9 . .
C28 C29 C30 104.3(11) . .
C28 C29 H29 127.9 . .
C30 C29 H29 127.9 . .
N3 C30 C29 106.7(10) . .
N3 C30 H30 126.7 . .
C29 C30 H30 126.7 . .
C22 C31 C33 112.7(5) . .
C22 C31 C34 109.1(4) . .
C33 C31 C34 108.4(5) . .
C22 C31 C32 107.7(5) . .
C33 C31 C32 109.7(5) . .
C34 C31 C32 109.2(5) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C20 S5 C35 103.1(2) . .
C40 C35 C36 121.3(6) . .
C40 C35 S5 117.3(5) . .
C36 C35 S5 121.3(4) . .
C35 C36 C37 117.5(5) . .
C35 C36 S6 122.1(4) . .
C37 C36 S6 120.4(4) . .
C38 C37 C36 120.9(5) . .
C38 C37 S7 115.9(5) . .
C36 C37 S7 123.1(4) . .
C37 C38 C39 121.0(6) . .
C37 C38 H38 119.5 . .
C39 C38 H38 119.5 . .
C40 C39 C38 118.1(6) . .
C40 C39 C48 120.7(6) . .
C38 C39 C48 121.1(6) . .
C35 C40 C39 121.2(6) . .
C35 C40 H40 119.4 . .
C39 C40 H40 119.4 . .
C36 S6 C41 98.4(3) . .
C42 C41 S6 107.7(4) . .
C42 C41 H41A 110.2 . .
S6 C41 H41A 110.2 . .
C42 C41 H41B 110.2 . .
S6 C41 H41B 110.2 . .
H41A C41 H41B 108.5 . .
C41 C42 C43 112.7(6) . .
C41 C42 H42A 109.0 . .
C43 C42 H42A 109.0 . .
C41 C42 H42B 109.0 . .
C43 C42 H42B 109.0 . .
H42A C42 H42B 107.8 . .
C44 C43 C42 114.1(6) . .
C44 C43 H43A 108.7 . .
C42 C43 H43A 108.7 . .
C44 C43 H43B 108.7 . .
C42 C43 H43B 108.7 . .
H43A C43 H43B 107.6 . .
N5 C44 C43 112.6(6) . .
N5 C44 H44A 109.1 . .
C43 C44 H44A 109.1 . .
N5 C44 H44B 109.1 . .
C43 C44 H44B 109.1 . .
H44A C44 H44B 107.8 . .
N6 N5 C47 109.8(6) . .
N6 N5 C44 122.8(6) . .
C47 N5 C44 127.3(6) . .
C45 N6 N5 105.7(6) . .
C45 N6 Ag3 127.9(6) . .
N5 N6 Ag3 126.4(5) . .
N6 C45 C46 112.3(8) . .
N6 C45 H45 123.8 . .
C46 C45 H45 123.8 . .
C47 C46 C45 103.6(7) . .
C47 C46 H46 128.2 . .
C45 C46 H46 128.2 . .
N5 C47 C46 108.5(7) . .
N5 C47 H47 125.7 . .
C46 C47 H47 125.7 . .
C49 C48 C51 110.3(9) . .
C49 C48 C39 111.5(7) . .
C51 C48 C39 108.4(7) . .
C49 C48 C50 107.1(9) . .
C51 C48 C50 109.9(8) . .
C39 C48 C50 109.6(7) . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C48 C50 H50A 109.5 . .
C48 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C48 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C48 C51 H51A 109.5 . .
C48 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C48 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C37 S7 C52 104.1(2) . .
C57 C52 C53 120.7(5) . .
C57 C52 S7 115.7(4) . .
C53 C52 S7 123.4(4) . .
C54 C53 C52 117.4(5) . .
C54 C53 S8 120.8(4) . .
C52 C53 S8 121.8(4) . .
C53 C54 C55 121.0(5) . .
C53 C54 S1 122.6(4) . .
C55 C54 S1 116.2(4) . .
C56 C55 C54 121.9(5) . .
C56 C55 H55 119.1 . .
C54 C55 H55 119.1 . .
C55 C56 C57 117.1(5) . .
C55 C56 C65 121.6(5) . .
C57 C56 C65 121.2(5) . .
C52 C57 C56 121.6(5) . .
C52 C57 H57 119.2 . .
C56 C57 H57 119.2 . .
C53 S8 C58 101.7(3) . .
C59 C58 S8 114.4(4) . .
C59 C58 H58A 108.7 . .
S8 C58 H58A 108.7 . .
C59 C58 H58B 108.7 . .
S8 C58 H58B 108.7 . .
H58A C58 H58B 107.6 . .
C58 C59 C60 110.4(5) . .
C58 C59 H59A 109.6 . .
C60 C59 H59A 109.6 . .
C58 C59 H59B 109.6 . .
C60 C59 H59B 109.6 . .
H59A C59 H59B 108.1 . .
C61 C60 C59 113.2(5) . .
C61 C60 H60A 108.9 . .
C59 C60 H60A 108.9 . .
C61 C60 H60B 108.9 . .
C59 C60 H60B 108.9 . .
H60A C60 H60B 107.7 . .
N7 C61 C60 111.8(5) . .
N7 C61 H61A 109.3 . .
C60 C61 H61A 109.3 . .
N7 C61 H61B 109.3 . .
C60 C61 H61B 109.3 . .
H61A C61 H61B 107.9 . .
C64 N7 N8 111.6(6) . .
C64 N7 C61 127.3(6) . .
N8 N7 C61 120.5(5) . .
N7 N8 C62 104.3(5) . .
N7 N8 Ag1 136.6(4) . 2_676
C62 N8 Ag1 115.8(4) . 2_676
N8 C62 C63 112.6(7) . .
N8 C62 H62 123.7 . .
C63 C62 H62 123.7 . .
C64 C63 C62 102.7(7) . .
C64 C63 H63 128.6 . .
C62 C63 H63 128.6 . .
N7 C64 C63 108.8(7) . .
N7 C64 H64 125.6 . .
C63 C64 H64 125.6 . .
C67 C65 C66 108.7(6) . .
C67 C65 C56 113.5(5) . .
C66 C65 C56 108.7(5) . .
C67 C65 C68 106.1(6) . .
C66 C65 C68 110.8(7) . .
C56 C65 C68 109.0(5) . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65 C67 H67A 109.5 . .
C65 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C65 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C65 C68 H68A 109.5 . .
C65 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C65 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
F4 Sb1 F2 90.0(5) . .
F4 Sb1 F6 92.0(4) . .
F2 Sb1 F6 91.6(4) . .
F4 Sb1 F1 91.9(5) . .
F2 Sb1 F1 178.1(5) . .
F6 Sb1 F1 88.4(4) . .
F4 Sb1 F5 176.9(5) . .
F2 Sb1 F5 92.1(5) . .
F6 Sb1 F5 90.3(4) . .
F1 Sb1 F5 86.0(4) . .
F4 Sb1 F3 93.1(4) . .
F2 Sb1 F3 88.6(3) . .
F6 Sb1 F3 174.9(3) . .
F1 Sb1 F3 91.2(3) . .
F5 Sb1 F3 84.6(3) . .
F7 Sb2 F8 179.4(3) . .
Cl2 C69 Cl3 111.9(5) . .
Cl2 C69 Cl1 108.7(5) . .
Cl3 C69 Cl1 110.8(5) . .
Cl2 C69 H69 108.5 . .
Cl3 C69 H69 108.5 . .
Cl1 C69 H69 108.5 . .
Cl4 C70 Cl5 115.6(7) . .
Cl4 C70 Cl6 109.1(5) . .
Cl5 C70 Cl6 107.5(6) . .
Cl4 C70 H70 108.2 . .
Cl5 C70 H70 108.2 . .
Cl6 C70 H70 108.2 . .
Cl9 C71 Cl7 115.9(10) . .
Cl9 C71 Cl8 111.4(10) . .
Cl7 C71 Cl8 103.3(9) . .
Cl9 C71 H71 108.7 . .
Cl7 C71 H71 108.7 . .
Cl8 C71 H71 108.7 . .
Cl10 C72 Cl12 109.0(13) . .
Cl10 C72 Cl11 106.3(12) . .
Cl12 C72 Cl11 96.9(10) . .
Cl10 C72 H72 114.4 . .
Cl12 C72 H72 114.4 . .
Cl11 C72 H72 114.4 . .
Cl15 C73 Cl13 95.2(12) . .
Cl15 C73 Cl14 99.5(13) . .
Cl13 C73 Cl14 95.9(12) . .
Cl15 C73 H73 120.2 . .
Cl13 C73 H73 120.2 . .
Cl14 C73 H73 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.229(5) .
Ag1 N8 2.327(5) 2_676
Ag1 S3 2.4503(13) .
Ag2 N4 2.092(8) 2_665
Ag2 N4 2.092(8) .
Ag3 N6 2.141(6) 2_666
Ag3 N6 2.141(6) .
S1 C54 1.775(6) .
S1 C1 1.795(5) .
C1 C6 1.377(7) .
C1 C2 1.402(7) .
C2 C3 1.410(6) .
C2 S2 1.773(5) .
C3 C4 1.375(7) .
C3 S3 1.786(5) .
C4 C5 1.389(7) .
C4 H4 0.9500 .
C5 C6 1.399(7) .
C5 C14 1.529(7) .
C6 H6 0.9500 .
S2 C7 1.808(6) .
C7 C8 1.538(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.526(9) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.515(10) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N1 1.459(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
N1 C13 1.325(8) .
N1 N2 1.363(6) .
N2 C11 1.351(8) .
C11 C12 1.359(10) .
C11 H11 0.9500 .
C12 C13 1.370(10) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.521(10) .
C14 C16 1.522(8) .
C14 C17 1.533(10) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
S3 C18 1.791(5) .
C18 C23 1.390(7) .
C18 C19 1.395(7) .
C19 C20 1.407(8) .
C19 S4 1.779(5) .
C20 C21 1.395(7) .
C20 S5 1.779(5) .
C21 C22 1.378(7) .
C21 H21 0.9500 .
C22 C23 1.396(8) .
C22 C31 1.524(7) .
C23 H23 0.9500 .
S4 C24 1.820(7) .
C24 C25 1.513(10) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.549(9) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.485(10) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 N3 1.443(9) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
N3 C30 1.338(12) .
N3 N4 1.369(8) .
N4 C28 1.295(13) .
C28 C29 1.376(18) .
C28 H28 0.9500 .
C29 C30 1.415(14) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C33 1.527(8) .
C31 C34 1.536(8) .
C31 C32 1.559(9) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
S5 C35 1.788(6) .
C35 C40 1.378(8) .
C35 C36 1.402(8) .
C36 C37 1.407(8) .
C36 S6 1.771(6) .
C37 C38 1.385(8) .
C37 S7 1.778(6) .
C38 C39 1.397(9) .
C38 H38 0.9500 .
C39 C40 1.393(10) .
C39 C48 1.546(9) .
C40 H40 0.9500 .
S6 C41 1.815(7) .
C41 C42 1.524(9) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C43 1.528(11) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.520(10) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 N5 1.451(9) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
N5 N6 1.334(8) .
N5 C47 1.345(9) .
N6 C45 1.310(10) .
C45 C46 1.373(13) .
C45 H45 0.9500 .
C46 C47 1.355(12) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 C49 1.512(14) .
C48 C51 1.507(12) .
C48 C50 1.554(13) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
S7 C52 1.784(5) .
C52 C57 1.379(8) .
C52 C53 1.420(8) .
C53 C54 1.393(7) .
C53 S8 1.780(5) .
C54 C55 1.399(7) .
C55 C56 1.384(8) .
C55 H55 0.9500 .
C56 C57 1.417(8) .
C56 C65 1.530(7) .
C57 H57 0.9500 .
S8 C58 1.826(6) .
C58 C59 1.519(8) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 C60 1.521(8) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.517(8) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 N7 1.466(8) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
N7 C64 1.332(10) .
N7 N8 1.337(7) .
N8 C62 1.344(9) .
N8 Ag1 2.327(5) 2_676
C62 C63 1.386(11) .
C62 H62 0.9500 .
C63 C64 1.382(11) .
C63 H63 0.9500 .
C64 H64 0.9500 .
C65 C67 1.506(10) .
C65 C66 1.526(9) .
C65 C68 1.533(10) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
Sb1 F4 1.800(7) .
Sb1 F2 1.810(6) .
Sb1 F6 1.845(6) .
Sb1 F1 1.857(7) .
Sb1 F5 1.857(7) .
Sb1 F3 1.877(5) .
Sb2 F7 1.855(4) .
Sb2 F8 1.861(4) .
C69 Cl2 1.731(9) .
C69 Cl3 1.735(9) .
C69 Cl1 1.787(10) .
C69 H69 1.0000 .
C70 Cl4 1.658(11) .
C70 Cl5 1.693(10) .
C70 Cl6 1.791(10) .
C70 H70 1.0000 .
C71 Cl9 1.615(14) .
C71 Cl7 1.628(14) .
C71 Cl8 1.781(15) .
C71 H71 1.0000 .
C72 Cl10 1.709(18) .
C72 Cl12 1.725(18) .
C72 Cl11 1.746(18) .
C72 H72 1.0000 .
C73 Cl15 1.714(19) .
C73 Cl13 1.730(19) .
C73 Cl14 1.74(2) .
C73 H73 1.0000 .
