#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:54:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179603 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/67/4506711.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_4506711
loop_
_publ_author_name
'Cheng, Ping-Shing'
'Marivel, Samipillai'
'Zang, Shuang-Quan'
'Gao, Guang-Gang'
'Mak, Thomas C. W.'
_publ_section_title
;
 Argentophilic Infinite Chain, Column, and Layer Structures Assembled with
 the Multinuclear Silver(I)--Phenylethynide Supramolecular Synthon
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4519
_journal_paper_doi               10.1021/cg300691n
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C68 H68 Ag14 F30 O28 S8'
_chemical_formula_sum            'C68 H68 Ag14 F30 O28 S8'
_chemical_formula_weight         3669.88
_chemical_name_systematic
; 
 ? 
;
_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                90.745(2)
_cell_angle_beta                 95.358(2)
_cell_angle_gamma                105.886(2)
_cell_formula_units_Z            2
_cell_length_a                   14.1460(13)
_cell_length_b                   16.1829(15)
_cell_length_c                   23.228(2)
_cell_measurement_temperature    150(2)
_cell_volume                     5087.9(8)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_molecular_graphics    DIAMOND
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SMART CCD APEX II'
_diffrn_measurement_method       'ω and φ'
_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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            154060
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         0.88
_exptl_absorpt_coefficient_mu    2.916
_exptl_absorpt_correction_T_max  0.7592
_exptl_absorpt_correction_T_min  0.4750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3512
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.822
_refine_diff_density_min         -1.768
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1354
_refine_ls_number_reflns         18340
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0502P)²+82.3669P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1348
_reflns_number_gt                16293
_reflns_number_total             18340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300691n_si_001.cif
_cod_data_source_block           4
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506711
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.66123(5) 0.47372(4) 0.13312(3) 0.02491(15) Uani 1 1 d . . .
Ag2 Ag 0.79204(5) 0.53487(4) 0.32415(3) 0.02531(15) Uani 1 1 d . . .
Ag3 Ag 0.84797(5) 0.55749(4) 0.20523(3) 0.02364(15) Uani 1 1 d . . .
Ag4 Ag 0.88102(5) 0.77104(4) 0.23718(3) 0.02312(15) Uani 1 1 d . . .
Ag5 Ag 0.70312(5) 0.65202(4) 0.18058(3) 0.02191(14) Uani 1 1 d . . .
Ag6 Ag 0.71364(5) 0.83740(4) 0.20546(3) 0.02428(15) Uani 1 1 d . A .
Ag7 Ag 0.83207(5) 0.72311(4) 0.35335(3) 0.02176(14) Uani 1 1 d . . .
Ag8 Ag 0.83726(5) 0.96819(4) 0.33955(3) 0.02290(15) Uani 1 1 d . . .
Ag9 Ag 0.77276(5) 1.12301(4) 0.30963(3) 0.02093(14) Uani 1 1 d . . .
Ag10 Ag 0.85538(5) 1.02335(4) 0.22023(3) 0.02080(14) Uani 1 1 d . A .
Ag11 Ag 0.66283(5) 1.04406(4) 0.17347(3) 0.02410(15) Uani 1 1 d . . .
Ag12 Ag 0.64773(5) 1.22687(4) 0.14113(3) 0.02377(15) Uani 1 1 d . . .
Ag13 Ag 0.83364(5) 1.21180(4) 0.20469(3) 0.02066(14) Uani 1 1 d . . .
Ag14 Ag 0.76872(6) 1.36159(4) 0.23412(3) 0.03022(17) Uani 1 1 d . . .
C1 C 0.6981(6) 1.2108(5) 0.2362(4) 0.0206(17) Uani 1 1 d . . .
C2 C 0.6258(7) 1.1873(6) 0.2614(4) 0.028(2) Uani 1 1 d . . .
C3 C 0.5350(7) 1.1615(6) 0.2903(4) 0.0255(19) Uani 1 1 d . . .
C4 C 0.5336(7) 1.1187(7) 0.3419(4) 0.034(2) Uani 1 1 d . . .
H4A H 0.5910 1.1039 0.3577 0.041 Uiso 1 1 calc R . .
C5 C 0.4492(8) 1.0977(7) 0.3702(5) 0.041(3) Uani 1 1 d . . .
H5A H 0.4484 1.0684 0.4054 0.049 Uiso 1 1 calc R . .
C6 C 0.3681(9) 1.1188(8) 0.3478(5) 0.045(3) Uani 1 1 d . . .
H6A H 0.3108 1.1055 0.3680 0.054 Uiso 1 1 calc R . .
C7 C 0.3670(8) 1.1593(9) 0.2964(6) 0.050(3) Uani 1 1 d . . .
H7A H 0.3087 1.1726 0.2807 0.060 Uiso 1 1 calc R . .
C8 C 0.4512(8) 1.1807(7) 0.2673(5) 0.040(2) Uani 1 1 d . . .
H8A H 0.4507 1.2085 0.2316 0.047 Uiso 1 1 calc R . .
C9 C 0.7235(6) 0.9794(5) 0.2595(3) 0.0182(17) Uani 1 1 d . . .
C10 C 0.6441(7) 0.9512(5) 0.2786(4) 0.0233(18) Uani 1 1 d . . .
C11 C 0.5506(7) 0.9193(6) 0.3025(4) 0.0253(19) Uani 1 1 d . . .
C12 C 0.5494(7) 0.8955(6) 0.3597(4) 0.029(2) Uani 1 1 d . . .
H12A H 0.6096 0.8985 0.3826 0.035 Uiso 1 1 calc R . .
C13 C 0.4603(8) 0.8674(7) 0.3833(4) 0.037(2) Uani 1 1 d . . .
H13A H 0.4592 0.8527 0.4227 0.044 Uiso 1 1 calc R . .
C14 C 0.3733(8) 0.8610(7) 0.3493(5) 0.042(3) Uani 1 1 d . . .
H14A H 0.3124 0.8412 0.3656 0.051 Uiso 1 1 calc R . .
C15 C 0.3724(7) 0.8824(7) 0.2926(5) 0.040(3) Uani 1 1 d . . .
H15A H 0.3115 0.8762 0.2697 0.048 Uiso 1 1 calc R . .
C16 C 0.4617(7) 0.9134(7) 0.2684(4) 0.034(2) Uani 1 1 d . . .
H16A H 0.4622 0.9302 0.2294 0.041 Uiso 1 1 calc R . .
C17 C 0.7363(6) 0.7376(5) 0.2668(3) 0.0184(17) Uani 1 1 d . . .
C18 C 0.6763(6) 0.7195(5) 0.3032(4) 0.0174(16) Uani 1 1 d . . .
C19 C 0.5902(7) 0.6943(6) 0.3344(4) 0.0251(19) Uani 1 1 d . . .
C20 C 0.5960(8) 0.6919(7) 0.3947(4) 0.033(2) Uani 1 1 d . . .
H20A H 0.6584 0.7074 0.4171 0.040 Uiso 1 1 calc R . .
C21 C 0.5088(9) 0.6663(8) 0.4215(5) 0.049(3) Uani 1 1 d . . .
H21A H 0.5121 0.6647 0.4625 0.058 Uiso 1 1 calc R . .
C22 C 0.4192(8) 0.6438(8) 0.3898(5) 0.046(3) Uani 1 1 d . . .
H22A H 0.3606 0.6260 0.4086 0.055 Uiso 1 1 calc R . .
C23 C 0.4133(8) 0.6467(8) 0.3302(5) 0.046(3) Uani 1 1 d . . .
H23A H 0.3504 0.6316 0.3083 0.055 Uiso 1 1 calc R . .
C24 C 0.4979(7) 0.6712(6) 0.3020(4) 0.031(2) Uani 1 1 d . . .
H24A H 0.4933 0.6723 0.2610 0.037 Uiso 1 1 calc R . .
C25 C 0.7092(6) 0.4991(6) 0.2313(4) 0.0245(19) Uani 1 1 d . . .
C26 C 0.6363(7) 0.4751(6) 0.2595(4) 0.0248(19) Uani 1 1 d . . .
C27 C 0.5440(7) 0.4458(6) 0.2823(4) 0.0265(19) Uani 1 1 d . . .
C28 C 0.5338(8) 0.4576(7) 0.3413(4) 0.036(2) Uani 1 1 d . . .
H28A H 0.5900 0.4851 0.3672 0.043 Uiso 1 1 calc R . .
C29 C 0.4431(8) 0.4297(8) 0.3615(5) 0.043(3) Uani 1 1 d . . .
H29A H 0.4367 0.4381 0.4013 0.052 Uiso 1 1 calc R . .
C30 C 0.3611(7) 0.3897(7) 0.3247(5) 0.038(2) Uani 1 1 d . . .
H30A H 0.2985 0.3707 0.3392 0.045 Uiso 1 1 calc R . .
C31 C 0.3691(8) 0.3769(7) 0.2673(5) 0.041(3) Uani 1 1 d . . .
H31A H 0.3122 0.3486 0.2422 0.049 Uiso 1 1 calc R . .
C32 C 0.4596(7) 0.4049(7) 0.2458(5) 0.035(2) Uani 1 1 d . . .
H32A H 0.4644 0.3963 0.2058 0.042 Uiso 1 1 calc R . .
O1 O 0.7472(5) 1.1233(4) 0.4069(3) 0.0278(14) Uani 1 1 d . . .
O2 O 0.7719(5) 0.9961(4) 0.4292(3) 0.0283(14) Uani 1 1 d . . .
C33 C 0.7460(6) 1.0605(5) 0.4376(3) 0.0212(18) Uani 1 1 d . . .
C34 C 0.6982(7) 1.0650(6) 0.4951(4) 0.027(2) Uani 1 1 d . . .
F1 F 0.6061(5) 1.0267(7) 0.4896(3) 0.089(3) Uani 1 1 d . . .
F2 F 0.7118(8) 1.1433(5) 0.5149(3) 0.085(3) Uani 1 1 d . . .
F3 F 0.7386(7) 1.0297(7) 0.5386(3) 0.077(3) Uani 1 1 d . . .
O3 O 0.8164(5) 0.6678(4) 0.4445(3) 0.0329(15) Uani 1 1 d . . .
O4 O 0.7532(5) 0.5283(4) 0.4174(3) 0.0333(16) Uani 1 1 d . . .
C35 C 0.7762(7) 0.5911(6) 0.4515(4) 0.030(2) Uani 1 1 d . . .
C36 C 0.7537(9) 0.5700(6) 0.5132(6) 0.083(6) Uani 1 1 d D . .
F4 F 0.7156(6) 0.6264(6) 0.5376(3) 0.081(3) Uani 1 1 d D . .
F5 F 0.6846(12) 0.4962(7) 0.5151(5) 0.149(5) Uani 1 1 d DU . .
F6 F 0.8365(10) 0.5734(8) 0.5467(5) 0.123(4) Uani 1 1 d DU . .
O5 O 0.9404(5) 1.1966(5) 0.3140(3) 0.0345(16) Uani 1 1 d . . .
O6 O 0.9805(5) 1.0913(4) 0.3653(3) 0.0311(15) Uani 1 1 d . . .
C37 C 0.9967(6) 1.1590(6) 0.3398(4) 0.0242(19) Uani 1 1 d . . .
C38 C 1.1082(7) 1.2117(6) 0.3427(4) 0.032(2) Uani 1 1 d . . .
F7 F 1.1300(4) 1.2483(4) 0.2917(2) 0.0411(15) Uani 1 1 d . . .
F8 F 1.1272(4) 1.2747(4) 0.3829(3) 0.0419(15) Uani 1 1 d . . .
F9 F 1.1707(4) 1.1664(4) 0.3553(3) 0.0425(15) Uani 1 1 d . . .
O7 O 0.9931(5) 0.7234(5) 0.3539(4) 0.047(2) Uani 1 1 d . . .
O8 O 0.9610(6) 0.5808(5) 0.3452(4) 0.048(2) Uani 1 1 d . . .
C39 C 1.0126(7) 0.6541(6) 0.3554(4) 0.030(2) Uani 1 1 d . . .
C40 C 1.1236(9) 0.6627(8) 0.3739(6) 0.052(3) Uani 1 1 d . . .
F10 F 1.1618(5) 0.7238(5) 0.4148(3) 0.059(2) Uani 1 1 d . . .
F11 F 1.1752(5) 0.6886(7) 0.3284(4) 0.089(3) Uani 1 1 d . . .
F12 F 1.1417(7) 0.5930(6) 0.3904(6) 0.123(5) Uani 1 1 d . . .
O9 O 0.9741(5) 1.2286(4) 0.1732(3) 0.0266(14) Uani 1 1 d . . .
O10 O 0.9931(5) 1.0964(4) 0.1896(3) 0.0270(14) Uani 1 1 d . . .
C41 C 1.0183(6) 1.1720(5) 0.1734(4) 0.0214(18) Uani 1 1 d . . .
C42 C 1.1198(7) 1.1971(6) 0.1496(4) 0.0268(19) Uani 1 1 d . . .
F13 F 1.1891(4) 1.1795(5) 0.1862(3) 0.0481(17) Uani 1 1 d . . .
F14 F 1.1514(5) 1.2798(4) 0.1393(3) 0.0477(17) Uani 1 1 d . . .
F15 F 1.1177(4) 1.1537(4) 0.1006(3) 0.0385(14) Uani 1 1 d . . .
O11 O 1.0182(5) 0.7607(4) 0.2060(3) 0.0294(15) Uani 1 1 d . . .
O12 O 0.9861(5) 0.6228(4) 0.1753(3) 0.0345(16) Uani 1 1 d . . .
C43 C 1.0381(6) 0.6977(6) 0.1847(4) 0.0226(18) Uani 1 1 d . . .
C44 C 1.1440(7) 0.7140(6) 0.1668(4) 0.028(2) Uani 1 1 d . . .
F16 F 1.1851(6) 0.7938(4) 0.1579(5) 0.078(3) Uani 1 1 d . . .
F17 F 1.1474(6) 0.6685(6) 0.1205(4) 0.076(3) Uani 1 1 d . . .
F18 F 1.2012(5) 0.6934(7) 0.2081(4) 0.083(3) Uani 1 1 d . . .
O13 O 0.7029(5) 1.1737(4) 0.0595(3) 0.0333(15) Uani 1 1 d . . .
O14 O 0.7684(5) 1.0742(4) 0.1007(3) 0.0296(14) Uani 1 1 d . . .
C45 C 0.7590(7) 1.1273(6) 0.0634(4) 0.029(2) Uani 1 1 d . . .
C46 C 0.8361(8) 1.1395(6) 0.0177(4) 0.033(2) Uani 1 1 d . . .
F19 F 0.9251(6) 1.1865(6) 0.0411(3) 0.071(3) Uani 1 1 d . . .
F20 F 0.8118(6) 1.1789(5) -0.0278(3) 0.060(2) Uani 1 1 d . . .
F21 F 0.8484(5) 1.0658(4) 0.0000(3) 0.0397(14) Uani 1 1 d . . .
O15 O 0.7727(6) 0.6748(4) 0.0924(3) 0.0364(16) Uani 1 1 d . . .
O16 O 0.7372(6) 0.5401(4) 0.0561(3) 0.0391(17) Uani 1 1 d . . .
C47 C 0.7787(7) 0.6173(6) 0.0585(4) 0.0263(19) Uani 1 1 d . . .
C48 C 0.8500(8) 0.6484(7) 0.0117(4) 0.033(2) Uani 1 1 d . . .
F22 F 0.8451(4) 0.7223(4) -0.0102(3) 0.0386(14) Uani 1 1 d . . .
F23 F 0.8357(6) 0.5908(4) -0.0315(3) 0.0564(19) Uani 1 1 d . . .
F24 F 0.9434(5) 0.6598(5) 0.0352(3) 0.0543(19) Uani 1 1 d . . .
O17 O 0.4784(5) 1.1489(4) 0.1243(3) 0.0321(15) Uani 1 1 d . . .
O18 O 0.4969(5) 1.0199(4) 0.1484(3) 0.0266(14) Uani 1 1 d . . .
C49 C 0.4509(7) 1.0709(6) 0.1312(4) 0.0253(19) Uani 1 1 d . . .
C50 C 0.3420(8) 1.0298(7) 0.1125(6) 0.050(3) Uani 1 1 d . . .
F25 F 0.3364(6) 0.9856(7) 0.0578(4) 0.084(3) Uani 1 1 d . . .
F26 F 0.2868(5) 1.0778(5) 0.1019(6) 0.102(4) Uani 1 1 d . . .
F27 F 0.2997(5) 0.9653(4) 0.1438(3) 0.0532(18) Uani 1 1 d . . .
O19 O 0.5339(5) 0.6371(4) 0.1625(3) 0.0264(14) Uani 1 1 d . . .
O20 O 0.5028(5) 0.5049(4) 0.1209(3) 0.0275(14) Uani 1 1 d . . .
C51 C 0.4804(6) 0.5670(5) 0.1420(4) 0.0218(18) Uani 1 1 d . . .
C52 C 0.3687(6) 0.5576(6) 0.1407(4) 0.0247(19) Uani 1 1 d . . .
F28 F 0.3459(4) 0.5954(4) 0.1856(3) 0.0395(14) Uani 1 1 d . . .
F29 F 0.3377(4) 0.5936(4) 0.0937(3) 0.0403(14) Uani 1 1 d . . .
F30 F 0.3146(4) 0.4751(4) 0.1385(3) 0.0393(14) Uani 1 1 d . . .
O21 O 0.6123(5) 0.8758(4) 0.1368(3) 0.0266(14) Uani 1 1 d . . .
S1 S 0.53558(18) 0.81976(14) 0.09145(10) 0.0267(5) Uani 1 1 d . . .
C53 C 0.5174(8) 0.8933(7) 0.0377(4) 0.037(2) Uani 1 1 d . . .
H53A H 0.5759 0.9106 0.0165 0.056 Uiso 1 1 calc R . .
H53B H 0.5067 0.9441 0.0564 0.056 Uiso 1 1 calc R . .
H53C H 0.4595 0.8654 0.0107 0.056 Uiso 1 1 calc R . .
C54 C 0.4214(7) 0.8019(7) 0.1207(5) 0.037(2) Uani 1 1 d . . .
H54A H 0.4186 0.7615 0.1520 0.056 Uiso 1 1 calc R . .
H54B H 0.3674 0.7777 0.0904 0.056 Uiso 1 1 calc R . .
H54C H 0.4146 0.8564 0.1360 0.056 Uiso 1 1 calc R . .
O22 O 0.8842(5) 0.8661(4) 0.4004(3) 0.0274(14) Uani 1 1 d . . .
S2 S 0.9300(2) 0.90218(15) 0.45983(10) 0.0323(5) Uani 1 1 d . . .
C55 C 0.8379(10) 0.8627(7) 0.5081(5) 0.044(3) Uani 1 1 d . . .
H55A H 0.7853 0.8913 0.5014 0.067 Uiso 1 1 calc R . .
H55B H 0.8678 0.8746 0.5482 0.067 Uiso 1 1 calc R . .
H55C H 0.8100 0.8005 0.5011 0.067 Uiso 1 1 calc R . .
C56 C 1.0095(8) 0.8383(7) 0.4838(5) 0.042(3) Uani 1 1 d . . .
H56A H 1.0670 0.8511 0.4616 0.062 Uiso 1 1 calc R . .
H56B H 0.9736 0.7772 0.4780 0.062 Uiso 1 1 calc R . .
H56C H 1.0316 0.8514 0.5250 0.062 Uiso 1 1 calc R . .
O23 O 0.9613(5) 0.9262(4) 0.2739(3) 0.0320(15) Uani 1 1 d . . .
S3 S 1.06821(18) 0.98036(17) 0.28557(11) 0.0342(5) Uani 1 1 d . . .
C57 C 1.1212(10) 0.9218(12) 0.3360(7) 0.083(6) Uani 1 1 d . . .
H57A H 1.0940 0.9239 0.3731 0.125 Uiso 1 1 calc R . .
H57B H 1.1929 0.9469 0.3412 0.125 Uiso 1 1 calc R . .
H57C H 1.1062 0.8619 0.3217 0.125 Uiso 1 1 calc R . .
C58 C 1.1304(7) 0.9644(7) 0.2264(5) 0.038(2) Uani 1 1 d . . .
H58A H 1.1098 0.9944 0.1932 0.056 Uiso 1 1 calc R . .
H58B H 1.1143 0.9027 0.2165 0.056 Uiso 1 1 calc R . .
H58C H 1.2018 0.9870 0.2365 0.056 Uiso 1 1 calc R . .
O24 O 0.8650(5) 0.9006(5) 0.1554(3) 0.0397(18) Uani 1 1 d . . .
S4 S 0.8961(3) 0.9291(3) 0.09527(15) 0.0208(16) Uani 0.583(13) 1 d P A 1
S4' S 0.8938(5) 0.8698(6) 0.0960(3) 0.035(3) Uani 0.417(13) 1 d P A 2
C59 C 0.7903(7) 0.8775(6) 0.0471(4) 0.030(2) Uani 1 1 d . . .
H59A H 0.7665 0.8169 0.0566 0.045 Uiso 1 1 calc R A 1
H59B H 0.8080 0.8811 0.0072 0.045 Uiso 1 1 calc R A 1
H59C H 0.7382 0.9059 0.0509 0.045 Uiso 1 1 calc R A 1
C60 C 0.9671(12) 0.8576(11) 0.0826(7) 0.029(4) Uani 0.60(2) 1 d P A 1
H60A H 1.0307 0.8763 0.1063 0.043 Uiso 0.60(2) 1 calc PR A 1
H60B H 0.9783 0.8573 0.0416 0.043 Uiso 0.60(2) 1 calc PR A 1
H60C H 0.9316 0.7996 0.0928 0.043 Uiso 0.60(2) 1 calc PR A 1
C60' C 0.977(2) 0.966(2) 0.0780(13) 0.047(8) Uani 0.40(2) 1 d P A 2
H60D H 1.0403 0.9735 0.1012 0.070 Uiso 0.40(2) 1 calc PR A 2
H60E H 0.9501 1.0140 0.0860 0.070 Uiso 0.40(2) 1 calc PR A 2
H60F H 0.9859 0.9628 0.0368 0.070 Uiso 0.40(2) 1 calc PR A 2
O25 O 0.5714(5) 1.3315(4) 0.0983(3) 0.0281(14) Uani 1 1 d . . .
S5 S 0.48585(18) 1.29758(14) 0.05178(10) 0.0252(5) Uani 1 1 d . . .
C61 C 0.3778(7) 1.2963(6) 0.0844(4) 0.031(2) Uani 1 1 d . . .
H61A H 0.3652 1.2504 0.1122 0.046 Uiso 1 1 calc R . .
H61B H 0.3217 1.2860 0.0546 0.046 Uiso 1 1 calc R . .
H61C H 0.3865 1.3518 0.1047 0.046 Uiso 1 1 calc R . .
C62 C 0.4868(9) 1.3847(7) 0.0059(4) 0.041(3) Uani 1 1 d . . .
H62A H 0.5440 1.3950 -0.0165 0.061 Uiso 1 1 calc R . .
H62B H 0.4910 1.4365 0.0295 0.061 Uiso 1 1 calc R . .
H62C H 0.4260 1.3707 -0.0205 0.061 Uiso 1 1 calc R . .
O26 O 0.7851(5) 1.3793(5) 0.1272(3) 0.0406(18) Uani 1 1 d . . .
S6 S 0.85332(19) 1.36115(16) 0.08557(12) 0.0347(6) Uani 1 1 d . . .
C63 C 0.7924(9) 1.3655(7) 0.0155(5) 0.046(3) Uani 1 1 d . . .
H63A H 0.7345 1.3155 0.0085 0.069 Uiso 1 1 calc R . .
H63B H 0.8379 1.3649 -0.0138 0.069 Uiso 1 1 calc R . .
H63C H 0.7715 1.4183 0.0131 0.069 Uiso 1 1 calc R . .
C64 C 0.9501(8) 1.4568(8) 0.0831(5) 0.043(3) Uani 1 1 d . . .
H64A H 0.9933 1.4658 0.1195 0.065 Uiso 1 1 calc R . .
H64B H 0.9222 1.5056 0.0775 0.065 Uiso 1 1 calc R . .
H64C H 0.9885 1.4519 0.0508 0.065 Uiso 1 1 calc R . .
O27 O 0.9422(5) 1.4472(5) 0.2263(3) 0.0388(17) Uani 1 1 d . . .
S7 S 1.04450(18) 1.48202(16) 0.25879(12) 0.0341(5) Uani 1 1 d . . .
C65 C 1.0429(9) 1.4183(7) 0.3214(5) 0.046(3) Uani 1 1 d . . .
H65A H 1.0017 1.4347 0.3487 0.068 Uiso 1 1 calc R . .
H65B H 1.1103 1.4282 0.3400 0.068 Uiso 1 1 calc R . .
H65C H 1.0157 1.3574 0.3098 0.068 Uiso 1 1 calc R . .
C66 C 1.1225(8) 1.4383(8) 0.2191(5) 0.048(3) Uani 1 1 d . . .
H66A H 1.1316 1.4671 0.1823 0.071 Uiso 1 1 calc R . .
H66B H 1.0920 1.3766 0.2114 0.071 Uiso 1 1 calc R . .
H66C H 1.1868 1.4472 0.2417 0.071 Uiso 1 1 calc R . .
O28 O 0.8017(7) 1.3834(4) 0.3369(3) 0.048(2) Uani 1 1 d . . .
S8 S 0.7761(2) 1.30622(16) 0.37497(11) 0.0407(6) Uani 1 1 d . . .
C67 C 0.6742(10) 1.3140(8) 0.4119(6) 0.056(3) Uani 1 1 d . . .
H67A H 0.6143 1.3004 0.3847 0.085 Uiso 1 1 calc R . .
H67B H 0.6868 1.3727 0.4282 0.085 Uiso 1 1 calc R . .
H67C H 0.6653 1.2734 0.4432 0.085 Uiso 1 1 calc R . .
C68 C 0.8685(10) 1.3330(9) 0.4327(6) 0.061(4) Uani 1 1 d . . .
H68A H 0.9318 1.3318 0.4192 0.091 Uiso 1 1 calc R . .
H68B H 0.8521 1.2915 0.4631 0.091 Uiso 1 1 calc R . .
H68C H 0.8736 1.3908 0.4483 0.091 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
F F 0.0171 0.0103 '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'
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'
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
O16 Ag1 C25 129.2(3) . .
O16 Ag1 O25 106.0(2) . 1_545
C25 Ag1 O25 119.0(3) . 1_545
O16 Ag1 O20 102.2(3) . .
C25 Ag1 O20 103.6(3) . .
O25 Ag1 O20 85.3(2) 1_545 .
O16 Ag1 Ag5 83.42(17) . .
C25 Ag1 Ag5 62.0(2) . .
O25 Ag1 Ag5 160.44(16) 1_545 .
O20 Ag1 Ag5 75.82(15) . .
O16 Ag1 Ag3 86.6(2) . .
C25 Ag1 Ag3 44.4(2) . .
O25 Ag1 Ag3 137.60(15) 1_545 .
O20 Ag1 Ag3 132.33(15) . .
Ag5 Ag1 Ag3 58.56(2) . .
O4 Ag2 O8 96.9(3) . .
O4 Ag2 C25 137.7(3) . .
O8 Ag2 C25 125.2(3) . .
O4 Ag2 C26 108.0(3) . .
O8 Ag2 C26 154.4(3) . .
C25 Ag2 C26 29.7(3) . .
O4 Ag2 O28 84.8(3) . 1_545
O8 Ag2 O28 88.4(3) . 1_545
C25 Ag2 O28 91.5(3) . 1_545
C26 Ag2 O28 88.0(3) . 1_545
O4 Ag2 Ag3 175.70(17) . .
O8 Ag2 Ag3 81.3(2) . .
C25 Ag2 Ag3 44.6(2) . .
C26 Ag2 Ag3 74.2(2) . .
O28 Ag2 Ag3 99.06(18) 1_545 .
O4 Ag2 Ag7 80.38(17) . .
O8 Ag2 Ag7 76.30(19) . .
C25 Ag2 Ag7 111.2(2) . .
C26 Ag2 Ag7 113.1(2) . .
O28 Ag2 Ag7 157.10(19) 1_545 .
Ag3 Ag2 Ag7 95.36(3) . .
C25 Ag3 O12 176.3(3) . .
C25 Ag3 O27 103.3(3) . 1_545
O12 Ag3 O27 80.2(2) . 1_545
C25 Ag3 Ag5 65.4(2) . .
O12 Ag3 Ag5 111.06(19) . .
O27 Ag3 Ag5 167.64(17) 1_545 .
C25 Ag3 Ag2 52.2(2) . .
O12 Ag3 Ag2 129.8(2) . .
O27 Ag3 Ag2 86.48(17) 1_545 .
Ag5 Ag3 Ag2 89.77(3) . .
C25 Ag3 Ag1 51.1(2) . .
O12 Ag3 Ag1 126.9(2) . .
O27 Ag3 Ag1 108.82(17) 1_545 .
Ag5 Ag3 Ag1 60.65(2) . .
Ag2 Ag3 Ag1 103.26(3) . .
C25 Ag3 Ag14 54.5(2) . 1_545
O12 Ag3 Ag14 128.65(18) . 1_545
O27 Ag3 Ag14 50.38(17) 1_545 1_545
Ag5 Ag3 Ag14 117.39(3) . 1_545
Ag2 Ag3 Ag14 67.54(2) . 1_545
Ag1 Ag3 Ag14 68.99(2) . 1_545
C17 Ag4 O11 161.8(3) . .
C17 Ag4 O23 105.3(3) . .
O11 Ag4 O23 91.7(2) . .
C17 Ag4 Ag6 50.0(2) . .
O11 Ag4 Ag6 141.42(19) . .
O23 Ag4 Ag6 82.62(15) . .
C17 Ag4 Ag5 53.0(2) . .
O11 Ag4 Ag5 114.79(17) . .
O23 Ag4 Ag5 145.10(15) . .
Ag6 Ag4 Ag5 62.48(2) . .
C17 Ag4 Ag7 53.3(2) . .
O11 Ag4 Ag7 121.60(19) . .
O23 Ag4 Ag7 90.17(16) . .
Ag6 Ag4 Ag7 96.65(3) . .
Ag5 Ag4 Ag7 94.12(3) . .
O19 Ag5 O15 108.1(2) . .
O19 Ag5 C17 99.2(2) . .
O15 Ag5 C17 130.9(3) . .
O19 Ag5 Ag3 143.56(15) . .
O15 Ag5 Ag3 83.39(19) . .
C17 Ag5 Ag3 98.17(19) . .
O19 Ag5 Ag4 140.11(15) . .
O15 Ag5 Ag4 88.94(18) . .
C17 Ag5 Ag4 46.8(2) . .
Ag3 Ag5 Ag4 72.26(2) . .
O19 Ag5 Ag1 87.03(15) . .
O15 Ag5 Ag1 78.65(17) . .
C17 Ag5 Ag1 143.95(19) . .
Ag3 Ag5 Ag1 60.79(2) . .
Ag4 Ag5 Ag1 132.36(3) . .
O19 Ag5 Ag6 83.41(15) . .
O15 Ag5 Ag6 95.72(17) . .
C17 Ag5 Ag6 47.37(19) . .
Ag3 Ag5 Ag6 130.89(3) . .
Ag4 Ag5 Ag6 58.64(2) . .
Ag1 Ag5 Ag6 166.83(3) . .
C17 Ag6 O21 147.2(3) . .
C17 Ag6 O24 111.6(3) . .
O21 Ag6 O24 93.5(2) . .
C17 Ag6 C9 111.3(3) . .
O21 Ag6 C9 86.7(2) . .
O24 Ag6 C9 93.7(2) . .
C17 Ag6 Ag4 47.4(2) . .
O21 Ag6 Ag4 149.80(17) . .
O24 Ag6 Ag4 64.15(19) . .
C9 Ag6 Ag4 113.39(18) . .
C17 Ag6 Ag5 50.8(2) . .
O21 Ag6 Ag5 107.49(16) . .
O24 Ag6 Ag5 96.51(18) . .
C9 Ag6 Ag5 161.87(17) . .
Ag4 Ag6 Ag5 58.88(2) . .
C17 Ag6 Ag10 119.5(2) . .
O21 Ag6 Ag10 92.52(16) . .
O24 Ag6 Ag10 51.77(17) . .
C9 Ag6 Ag10 42.02(18) . .
Ag4 Ag6 Ag10 88.92(3) . .
Ag5 Ag6 Ag10 144.13(3) . .
O7 Ag7 O3 94.1(3) . .
O7 Ag7 C17 121.6(3) . .
O3 Ag7 C17 141.4(3) . .
O7 Ag7 C18 151.2(3) . .
O3 Ag7 C18 112.1(3) . .
C17 Ag7 C18 30.1(3) . .
O7 Ag7 O22 89.7(3) . .
O3 Ag7 O22 87.7(2) . .
C17 Ag7 O22 105.2(2) . .
C18 Ag7 O22 102.8(2) . .
O7 Ag7 Ag4 75.7(2) . .
O3 Ag7 Ag4 167.90(18) . .
C17 Ag7 Ag4 46.7(2) . .
C18 Ag7 Ag4 76.8(2) . .
O22 Ag7 Ag4 98.57(15) . .
O7 Ag7 Ag2 83.85(19) . .
O3 Ag7 Ag2 79.49(16) . .
C17 Ag7 Ag2 89.6(2) . .
C18 Ag7 Ag2 89.00(19) . .
O22 Ag7 Ag2 165.16(14) . .
Ag4 Ag7 Ag2 92.79(3) . .
O22 Ag8 C9 142.0(2) . .
O22 Ag8 O2 78.9(2) . .
C9 Ag8 O2 109.0(3) . .
O22 Ag8 O6 98.7(2) . .
C9 Ag8 O6 118.1(2) . .
O2 Ag8 O6 88.8(2) . .
O22 Ag8 Ag10 138.25(16) . .
C9 Ag8 Ag10 45.12(19) . .
O2 Ag8 Ag10 142.80(15) . .
O6 Ag8 Ag10 85.35(16) . .
O22 Ag8 Ag9 157.21(16) . .
C9 Ag8 Ag9 53.9(2) . .
O2 Ag8 Ag9 79.40(15) . .
O6 Ag8 Ag9 73.80(16) . .
Ag10 Ag8 Ag9 63.68(2) . .
O1 Ag9 O5 101.1(2) . .
O1 Ag9 C9 115.2(2) . .
O5 Ag9 C9 115.8(3) . .
O1 Ag9 C1 122.4(2) . .
O5 Ag9 C1 101.1(3) . .
C9 Ag9 C1 101.2(3) . .
O1 Ag9 Ag13 151.68(16) . .
O5 Ag9 Ag13 65.23(17) . .
C9 Ag9 Ag13 93.12(18) . .
C1 Ag9 Ag13 44.65(18) . .
O1 Ag9 Ag8 82.63(16) . .
O5 Ag9 Ag8 86.62(18) . .
C9 Ag9 Ag8 51.08(19) . .
C1 Ag9 Ag8 150.89(19) . .
Ag13 Ag9 Ag8 119.13(3) . .
O1 Ag9 Ag10 140.27(16) . .
O5 Ag9 Ag10 75.74(18) . .
C9 Ag9 Ag10 42.35(19) . .
C1 Ag9 Ag10 96.63(19) . .
Ag13 Ag9 Ag10 63.27(2) . .
Ag8 Ag9 Ag10 57.75(2) . .
C9 Ag10 O10 166.9(3) . .
C9 Ag10 O24 106.1(3) . .
O10 Ag10 O24 86.9(2) . .
C9 Ag10 Ag8 53.5(2) . .
O10 Ag10 Ag8 123.73(17) . .
O24 Ag10 Ag8 110.26(17) . .
C9 Ag10 Ag11 55.4(2) . .
O10 Ag10 Ag11 122.08(17) . .
O24 Ag10 Ag11 99.99(18) . .
Ag8 Ag10 Ag11 107.50(3) . .
C9 Ag10 Ag9 52.5(2) . .
O10 Ag10 Ag9 114.50(17) . .
O24 Ag10 Ag9 158.57(16) . .
Ag8 Ag10 Ag9 58.57(2) . .
Ag11 Ag10 Ag9 69.54(2) . .
C9 Ag10 Ag6 54.8(2) . .
O10 Ag10 Ag6 138.29(17) . .
O24 Ag10 Ag6 51.45(16) . .
Ag8 Ag10 Ag6 76.33(2) . .
Ag11 Ag10 Ag6 74.63(2) . .
Ag9 Ag10 Ag6 107.13(3) . .
C9 Ag10 Ag13 94.4(2) . .
O10 Ag10 Ag13 74.70(16) . .
O24 Ag10 Ag13 136.87(17) . .
Ag8 Ag10 Ag13 112.42(3) . .
Ag11 Ag10 Ag13 61.34(2) . .
Ag9 Ag10 Ag13 55.50(2) . .
Ag6 Ag10 Ag13 135.84(3) . .
O18 Ag11 O14 118.3(2) . .
O18 Ag11 C9 120.6(2) . .
O14 Ag11 C9 115.6(2) . .
O18 Ag11 Ag10 162.60(15) . .
O14 Ag11 Ag10 72.12(16) . .
C9 Ag11 Ag10 44.71(19) . .
O18 Ag11 Ag12 77.86(15) . .
O14 Ag11 Ag12 79.24(16) . .
C9 Ag11 Ag12 136.05(19) . .
Ag10 Ag11 Ag12 118.95(3) . .
O18 Ag11 Ag13 132.58(15) . .
O14 Ag11 Ag13 68.97(17) . .
C9 Ag11 Ag13 88.76(19) . .
Ag10 Ag11 Ag13 62.89(2) . .
Ag12 Ag11 Ag13 56.69(2) . .
C1 Ag12 O13 126.3(3) . .
C1 Ag12 O17 107.2(3) . .
O13 Ag12 O17 97.9(2) . .
C1 Ag12 O25 130.0(3) . .
O13 Ag12 O25 101.3(2) . .
O17 Ag12 O25 76.9(2) . .
C1 Ag12 Ag13 45.1(2) . .
O13 Ag12 Ag13 85.87(17) . .
O17 Ag12 Ag13 139.70(15) . .
O25 Ag12 Ag13 141.95(15) . .
C1 Ag12 Ag14 49.8(2) . .
O13 Ag12 Ag14 128.06(17) . .
O17 Ag12 Ag14 134.01(18) . .
O25 Ag12 Ag14 90.75(15) . .
Ag13 Ag12 Ag14 57.55(2) . .
C1 Ag12 Ag11 63.8(2) . .
O13 Ag12 Ag11 75.13(17) . .
O17 Ag12 Ag11 80.39(15) . .
O25 Ag12 Ag11 156.28(15) . .
Ag13 Ag12 Ag11 61.73(2) . .
Ag14 Ag12 Ag11 110.11(3) . .
C1 Ag13 O9 173.4(3) . .
C1 Ag13 Ag14 53.6(2) . .
O9 Ag13 Ag14 119.80(17) . .
C1 Ag13 Ag9 58.7(2) . .
O9 Ag13 Ag9 124.98(17) . .
Ag14 Ag13 Ag9 94.15(3) . .
C1 Ag13 Ag12 50.5(2) . .
O9 Ag13 Ag12 128.32(17) . .
Ag14 Ag13 Ag12 63.23(2) . .
Ag9 Ag13 Ag12 104.81(3) . .
C1 Ag13 Ag11 65.2(2) . .
O9 Ag13 Ag11 120.81(18) . .
Ag14 Ag13 Ag11 114.66(3) . .
Ag9 Ag13 Ag11 69.58(2) . .
Ag12 Ag13 Ag11 61.58(2) . .
C1 Ag13 Ag10 105.6(2) . .
O9 Ag13 Ag10 80.83(16) . .
Ag14 Ag13 Ag10 155.10(3) . .
Ag9 Ag13 Ag10 61.23(2) . .
Ag12 Ag13 Ag10 116.75(3) . .
Ag11 Ag13 Ag10 55.77(2) . .
C1 Ag14 O28 95.1(3) . .
C1 Ag14 O27 130.7(3) . .
O28 Ag14 O27 88.0(3) . .
C1 Ag14 O26 100.9(3) . .
O28 Ag14 O26 161.1(3) . .
O27 Ag14 O26 73.8(2) . .
C1 Ag14 C25 137.9(3) . 1_565
O28 Ag14 C25 88.6(3) . 1_565
O27 Ag14 C25 91.3(3) . 1_565
O26 Ag14 C25 86.4(3) . 1_565
C1 Ag14 Ag13 45.7(2) . .
O28 Ag14 Ag13 106.13(19) . .
O27 Ag14 Ag13 86.21(17) . .
O26 Ag14 Ag13 78.64(18) . .
C25 Ag14 Ag13 165.0(2) 1_565 .
C1 Ag14 Ag12 47.7(2) . .
O28 Ag14 Ag12 140.99(19) . .
O27 Ag14 Ag12 123.33(18) . .
O26 Ag14 Ag12 57.34(18) . .
C25 Ag14 Ag12 110.9(2) 1_565 .
Ag13 Ag14 Ag12 59.23(2) . .
C1 Ag14 Ag3 168.8(2) . 1_565
O28 Ag14 Ag3 95.99(17) . 1_565
O27 Ag14 Ag3 51.54(17) . 1_565
O26 Ag14 Ag3 68.56(19) . 1_565
C25 Ag14 Ag3 40.9(2) 1_565 1_565
Ag13 Ag14 Ag3 131.58(3) . 1_565
Ag12 Ag14 Ag3 121.13(3) . 1_565
C2 C1 Ag13 159.4(8) . .
C2 C1 Ag12 107.9(7) . .
Ag13 C1 Ag12 84.4(3) . .
C2 C1 Ag14 116.5(7) . .
Ag13 C1 Ag14 80.7(3) . .
Ag12 C1 Ag14 82.5(3) . .
C2 C1 Ag9 84.5(6) . .
Ag13 C1 Ag9 76.7(3) . .
Ag12 C1 Ag9 147.2(4) . .
Ag14 C1 Ag9 119.7(3) . .
C1 C2 C3 177.0(10) . .
C8 C3 C4 119.3(9) . .
C8 C3 C2 120.3(9) . .
C4 C3 C2 120.4(9) . .
C5 C4 C3 120.2(10) . .
C5 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
C6 C5 C4 119.8(11) . .
C6 C5 H5A 120.1 . .
C4 C5 H5A 120.1 . .
C5 C6 C7 121.1(11) . .
C5 C6 H6A 119.4 . .
C7 C6 H6A 119.4 . .
C6 C7 C8 119.7(11) . .
C6 C7 H7A 120.1 . .
C8 C7 H7A 120.1 . .
C3 C8 C7 119.8(10) . .
C3 C8 H8A 120.1 . .
C7 C8 H8A 120.1 . .
C10 C9 Ag10 175.6(7) . .
C10 C9 Ag8 102.2(6) . .
Ag10 C9 Ag8 81.4(3) . .
C10 C9 Ag11 97.2(6) . .
Ag10 C9 Ag11 79.9(2) . .
Ag8 C9 Ag11 156.3(4) . .
C10 C9 Ag9 98.3(6) . .
Ag10 C9 Ag9 85.1(3) . .
Ag8 C9 Ag9 75.0(2) . .
Ag11 C9 Ag9 88.8(3) . .
C10 C9 Ag6 93.6(6) . .
Ag10 C9 Ag6 83.2(3) . .
Ag8 C9 Ag6 98.2(3) . .
Ag11 C9 Ag6 94.1(3) . .
Ag9 C9 Ag6 167.3(4) . .
C9 C10 C11 178.6(10) . .
C12 C11 C16 120.1(9) . .
C12 C11 C10 119.7(8) . .
C16 C11 C10 120.3(8) . .
C13 C12 C11 119.9(9) . .
C13 C12 H12A 120.1 . .
C11 C12 H12A 120.1 . .
C14 C13 C12 119.6(10) . .
C14 C13 H13A 120.2 . .
C12 C13 H13A 120.2 . .
C15 C14 C13 121.6(10) . .
C15 C14 H14A 119.2 . .
C13 C14 H14A 119.2 . .
C14 C15 C16 119.7(10) . .
C14 C15 H15A 120.2 . .
C16 C15 H15A 120.2 . .
C15 C16 C11 119.2(9) . .
C15 C16 H16A 120.4 . .
C11 C16 H16A 120.4 . .
C18 C17 Ag4 155.3(7) . .
C18 C17 Ag6 115.1(6) . .
Ag4 C17 Ag6 82.6(3) . .
C18 C17 Ag5 117.9(6) . .
Ag4 C17 Ag5 80.1(3) . .
Ag6 C17 Ag5 81.8(3) . .
C18 C17 Ag7 75.4(5) . .
Ag4 C17 Ag7 80.1(3) . .
Ag6 C17 Ag7 140.8(4) . .
Ag5 C17 Ag7 128.6(3) . .
C17 C18 C19 167.1(9) . .
C17 C18 Ag7 74.4(5) . .
C19 C18 Ag7 118.0(6) . .
C24 C19 C20 119.7(9) . .
C24 C19 C18 117.6(8) . .
C20 C19 C18 122.7(9) . .
C19 C20 C21 119.1(10) . .
C19 C20 H20A 120.5 . .
C21 C20 H20A 120.5 . .
C22 C21 C20 121.0(11) . .
C22 C21 H21A 119.5 . .
C20 C21 H21A 119.5 . .
C21 C22 C23 120.1(10) . .
C21 C22 H22A 120.0 . .
C23 C22 H22A 120.0 . .
C22 C23 C24 120.7(11) . .
C22 C23 H23A 119.7 . .
C24 C23 H23A 119.7 . .
C23 C24 C19 119.5(10) . .
C23 C24 H24A 120.2 . .
C19 C24 H24A 120.2 . .
C26 C25 Ag3 164.4(8) . .
C26 C25 Ag1 110.4(7) . .
Ag3 C25 Ag1 84.5(3) . .
C26 C25 Ag2 81.9(6) . .
Ag3 C25 Ag2 83.2(3) . .
Ag1 C25 Ag2 167.6(4) . .
C26 C25 Ag14 99.4(6) . 1_545
Ag3 C25 Ag14 84.6(3) . 1_545
Ag1 C25 Ag14 90.1(3) . 1_545
Ag2 C25 Ag14 87.1(3) . 1_545
C25 C26 C27 170.4(10) . .
C25 C26 Ag2 68.4(6) . .
C27 C26 Ag2 121.2(6) . .
C32 C27 C28 118.0(9) . .
C32 C27 C26 120.0(9) . .
C28 C27 C26 122.0(9) . .
C29 C28 C27 120.2(10) . .
C29 C28 H28A 119.9 . .
C27 C28 H28A 119.9 . .
C28 C29 C30 120.6(10) . .
C28 C29 H29A 119.7 . .
C30 C29 H29A 119.7 . .
C31 C30 C29 120.4(9) . .
C31 C30 H30A 119.8 . .
C29 C30 H30A 119.8 . .
C30 C31 C32 120.2(10) . .
C30 C31 H31A 119.9 . .
C32 C31 H31A 119.9 . .
C31 C32 C27 120.6(10) . .
C31 C32 H32A 119.7 . .
C27 C32 H32A 119.7 . .
C33 O1 Ag9 122.8(5) . .
C33 O2 Ag8 122.3(5) . .
O2 C33 O1 131.0(8) . .
O2 C33 C34 115.7(7) . .
O1 C33 C34 113.2(8) . .
F1 C34 F2 109.2(10) . .
F1 C34 F3 106.9(9) . .
F2 C34 F3 102.4(9) . .
F1 C34 C33 111.9(8) . .
F2 C34 C33 112.9(8) . .
F3 C34 C33 112.9(8) . .
C35 O3 Ag7 122.1(6) . .
C35 O4 Ag2 123.2(6) . .
O4 C35 O3 131.1(9) . .
O4 C35 C36 114.2(8) . .
O3 C35 C36 114.6(8) . .
F5 C36 F4 103.4(11) . .
F5 C36 F6 113.3(14) . .
F4 C36 F6 104.9(10) . .
F5 C36 C35 111.7(10) . .
F4 C36 C35 112.7(10) . .
F6 C36 C35 110.4(10) . .
C37 O5 Ag9 114.6(6) . .
C37 O6 Ag8 123.7(6) . .
O6 C37 O5 131.9(9) . .
O6 C37 C38 115.2(8) . .
O5 C37 C38 112.8(8) . .
F9 C38 F8 107.0(8) . .
F9 C38 F7 106.9(8) . .
F8 C38 F7 107.4(8) . .
F9 C38 C37 114.4(8) . .
F8 C38 C37 109.7(8) . .
F7 C38 C37 111.2(8) . .
C39 O7 Ag7 118.1(6) . .
C39 O8 Ag2 127.9(7) . .
O8 C39 O7 131.6(9) . .
O8 C39 C40 115.1(9) . .
O7 C39 C40 113.3(9) . .
F12 C40 F10 108.8(12) . .
F12 C40 F11 107.3(12) . .
F10 C40 F11 104.8(10) . .
F12 C40 C39 114.5(10) . .
F10 C40 C39 112.2(10) . .
F11 C40 C39 108.6(11) . .
C41 O9 Ag13 123.9(6) . .
C41 O10 Ag10 130.1(6) . .
O9 C41 O10 130.2(8) . .
O9 C41 C42 116.1(7) . .
O10 C41 C42 113.8(8) . .
F15 C42 F14 107.3(8) . .
F15 C42 F13 106.6(8) . .
F14 C42 F13 106.5(8) . .
F15 C42 C41 111.1(7) . .
F14 C42 C41 113.4(7) . .
F13 C42 C41 111.6(7) . .
C43 O11 Ag4 129.7(6) . .
C43 O12 Ag3 130.6(6) . .
O12 C43 O11 130.1(8) . .
O12 C43 C44 114.3(8) . .
O11 C43 C44 115.7(8) . .
F16 C44 F18 105.4(10) . .
F16 C44 F17 108.1(9) . .
F18 C44 F17 106.9(9) . .
F16 C44 C43 113.3(8) . .
F18 C44 C43 110.3(8) . .
F17 C44 C43 112.5(8) . .
C45 O13 Ag12 122.4(6) . .
C45 O14 Ag11 120.5(6) . .
O13 C45 O14 129.9(10) . .
O13 C45 C46 116.4(9) . .
O14 C45 C46 113.6(8) . .
F20 C46 F21 108.2(8) . .
F20 C46 F19 107.3(9) . .
F21 C46 F19 105.9(9) . .
F20 C46 C45 112.6(9) . .
F21 C46 C45 112.2(8) . .
F19 C46 C45 110.3(8) . .
C47 O15 Ag5 125.0(6) . .
C47 O16 Ag1 121.0(6) . .
O16 C47 O15 130.4(9) . .
O16 C47 C48 115.1(8) . .
O15 C47 C48 114.5(8) . .
F22 C48 F23 108.2(8) . .
F22 C48 F24 107.0(8) . .
F23 C48 F24 106.2(9) . .
F22 C48 C47 113.8(8) . .
F23 C48 C47 112.1(8) . .
F24 C48 C47 109.2(8) . .
C49 O17 Ag12 121.3(6) . .
C49 O18 Ag11 129.1(6) . .
O17 C49 O18 131.3(9) . .
O17 C49 C50 114.3(8) . .
O18 C49 C50 114.4(8) . .
F26 C50 F27 110.8(11) . .
F26 C50 F25 103.0(12) . .
F27 C50 F25 100.5(9) . .
F26 C50 C49 118.6(10) . .
F27 C50 C49 114.6(10) . .
F25 C50 C49 106.9(9) . .
C51 O19 Ag5 117.7(5) . .
C51 O20 Ag1 127.6(6) . .
O19 C51 O20 130.1(8) . .
O19 C51 C52 114.2(7) . .
O20 C51 C52 115.6(8) . .
F28 C52 F29 106.7(7) . .
F28 C52 F30 107.1(8) . .
F29 C52 F30 107.0(7) . .
F28 C52 C51 113.0(7) . .
F29 C52 C51 110.1(7) . .
F30 C52 C51 112.5(7) . .
S1 O21 Ag6 129.5(4) . .
O21 S1 C54 105.7(5) . .
O21 S1 C53 103.9(4) . .
C54 S1 C53 98.4(5) . .
S1 C53 H53A 109.5 . .
S1 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
S1 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
S1 C54 H54A 109.5 . .
S1 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
S1 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
S2 O22 Ag8 113.9(3) . .
S2 O22 Ag7 135.1(4) . .
Ag8 O22 Ag7 110.8(2) . .
O22 S2 C56 105.8(5) . .
O22 S2 C55 106.2(5) . .
C56 S2 C55 96.9(5) . .
S2 C55 H55A 109.5 . .
S2 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
S2 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
S2 C56 H56A 109.5 . .
S2 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
S2 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
S3 O23 Ag4 133.3(4) . .
O23 S3 C58 107.8(5) . .
O23 S3 C57 103.7(6) . .
C58 S3 C57 98.1(7) . .
S3 C57 H57A 109.5 . .
S3 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
S3 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
S3 C58 H58A 109.5 . .
S3 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
S3 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
S4 O24 S4' 35.4(3) . .
S4 O24 Ag6 140.8(4) . .
S4' O24 Ag6 128.5(5) . .
S4 O24 Ag10 113.1(4) . .
S4' O24 Ag10 148.2(5) . .
Ag6 O24 Ag10 76.8(2) . .
O24 S4 C60 99.7(6) . .
O24 S4 C59 103.7(5) . .
C60 S4 C59 97.4(7) . .
O24 S4' C60' 99.5(11) . .
S4 C60 H60A 109.5 . .
S4 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
S4 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
S4' C60' H60D 109.5 . .
S4' C60' H60E 109.5 . .
H60D C60' H60E 109.5 . .
S4' C60' H60F 109.5 . .
H60D C60' H60F 109.5 . .
H60E C60' H60F 109.5 . .
S5 O25 Ag1 132.7(3) . 1_565
S5 O25 Ag12 116.6(3) . .
Ag1 O25 Ag12 110.4(2) 1_565 .
O25 S5 C61 106.1(4) . .
O25 S5 C62 105.5(5) . .
C61 S5 C62 98.0(5) . .
S5 C61 H61A 109.5 . .
S5 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
S5 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
S5 C62 H62A 109.5 . .
S5 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
S5 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
S6 O26 Ag14 135.6(4) . .
O26 S6 C64 106.9(5) . .
O26 S6 C63 105.1(5) . .
C64 S6 C63 97.3(6) . .
S6 C63 H63A 109.5 . .
S6 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
S6 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
S6 C64 H64A 109.5 . .
S6 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
S6 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
S7 O27 Ag14 145.0(4) . .
S7 O27 Ag3 115.3(4) . 1_565
Ag14 O27 Ag3 78.1(2) . 1_565
O27 S7 C66 104.4(5) . .
O27 S7 C65 104.8(5) . .
C66 S7 C65 98.7(6) . .
S7 C65 H65A 109.5 . .
S7 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
S7 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
S7 C66 H66A 109.5 . .
S7 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
S7 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
S8 O28 Ag14 119.2(4) . .
S8 O28 Ag2 144.4(5) . 1_565
Ag14 O28 Ag2 87.8(2) . 1_565
O28 S8 C68 103.4(6) . .
O28 S8 C67 107.3(6) . .
C68 S8 C67 99.0(7) . .
S8 C67 H67A 109.5 . .
S8 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
S8 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
S8 C68 H68A 109.5 . .
S8 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
S8 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O16 2.300(7) .
Ag1 C25 2.315(9) .
Ag1 O25 2.393(6) 1_545
Ag1 O20 2.421(6) .
Ag1 Ag5 2.9584(9) .
Ag1 Ag3 2.9624(10) .
Ag2 O4 2.280(6) .
Ag2 O8 2.303(8) .
Ag2 C25 2.343(9) .
Ag2 C26 2.495(9) .
Ag2 O28 2.512(7) 1_545
Ag2 Ag3 2.9438(10) .
Ag2 Ag7 2.9984(10) .
Ag3 C25 2.082(9) .
Ag3 O12 2.136(7) .
Ag3 O27 2.532(7) 1_545
Ag3 Ag5 2.8959(9) .
Ag3 Ag14 3.1635(10) 1_545
Ag4 C17 2.151(8) .
Ag4 O11 2.181(6) .
Ag4 O23 2.554(7) .
Ag4 Ag6 2.8966(9) .
Ag4 Ag5 2.9042(9) .
Ag4 Ag7 2.9107(10) .
Ag5 O19 2.337(6) .
Ag5 O15 2.344(7) .
Ag5 C17 2.356(8) .
Ag5 Ag6 3.0084(9) .
Ag6 C17 2.236(8) .
Ag6 O21 2.252(6) .
Ag6 O24 2.506(7) .
Ag6 C9 2.567(8) .
Ag6 Ag10 3.1201(10) .
Ag7 O7 2.276(7) .
Ag7 O3 2.316(7) .
Ag7 C17 2.368(8) .
Ag7 C18 2.379(8) .
Ag7 O22 2.437(6) .
Ag8 O22 2.379(6) .
Ag8 C9 2.385(8) .
Ag8 O2 2.442(6) .
Ag8 O6 2.442(7) .
Ag8 Ag10 2.9354(9) .
Ag8 Ag9 2.9616(9) .
Ag9 O1 2.322(6) .
Ag9 O5 2.336(7) .
Ag9 C9 2.477(8) .
Ag9 C1 2.567(8) .
Ag9 Ag13 2.9248(9) .
Ag9 Ag10 3.1109(9) .
Ag10 C9 2.103(8) .
Ag10 O10 2.172(6) .
Ag10 O24 2.518(7) .
Ag10 Ag11 2.9441(9) .
Ag10 Ag13 3.1696(9) .
Ag11 O18 2.288(6) .
Ag11 O14 2.328(6) .
Ag11 C9 2.460(8) .
Ag11 Ag12 3.1201(9) .
Ag11 Ag13 3.1247(10) .
Ag12 C1 2.297(9) .
Ag12 O13 2.356(7) .
Ag12 O17 2.375(7) .
Ag12 O25 2.422(6) .
Ag12 Ag13 2.9649(9) .
Ag12 Ag14 3.0809(10) .
Ag13 C1 2.112(8) .
Ag13 O9 2.129(6) .
Ag13 Ag14 2.9119(10) .
Ag14 C1 2.374(8) .
Ag14 O28 2.391(8) .
Ag14 O27 2.491(7) .
Ag14 O26 2.527(7) .
Ag14 C25 2.585(9) 1_565
Ag14 Ag3 3.1635(10) 1_565
C1 C2 1.199(13) .
C2 C3 1.465(13) .
C3 C8 1.369(14) .
C3 C4 1.390(13) .
C4 C5 1.380(15) .
C4 H4A 0.9500 .
C5 C6 1.346(16) .
C5 H5A 0.9500 .
C6 C7 1.371(17) .
C6 H6A 0.9500 .
C7 C8 1.387(15) .
C7 H7A 0.9500 .
C8 H8A 0.9500 .
C9 C10 1.220(12) .
C10 C11 1.447(13) .
C11 C12 1.387(13) .
C11 C16 1.401(14) .
C12 C13 1.385(13) .
C12 H12A 0.9500 .
C13 C14 1.377(16) .
C13 H13A 0.9500 .
C14 C15 1.366(16) .
C14 H14A 0.9500 .
C15 C16 1.398(14) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C17 C18 1.234(12) .
C18 C19 1.440(12) .
C19 C24 1.396(13) .
C19 C20 1.397(13) .
C20 C21 1.397(15) .
C20 H20A 0.9500 .
C21 C22 1.359(17) .
C21 H21A 0.9500 .
C22 C23 1.381(17) .
C22 H22A 0.9500 .
C23 C24 1.383(14) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 C26 1.248(13) .
C25 Ag14 2.585(9) 1_545
C26 C27 1.416(13) .
C27 C32 1.396(14) .
C27 C28 1.409(14) .
C28 C29 1.368(14) .
C28 H28A 0.9500 .
C29 C30 1.373(16) .
C29 H29A 0.9500 .
C30 C31 1.365(16) .
C30 H30A 0.9500 .
C31 C32 1.378(15) .
C31 H31A 0.9500 .
C32 H32A 0.9500 .
O1 C33 1.246(10) .
O2 C33 1.215(11) .
C33 C34 1.561(12) .
C34 F1 1.273(12) .
C34 F2 1.301(12) .
C34 F3 1.326(12) .
O3 C35 1.235(11) .
O4 C35 1.233(12) .
C35 C36 1.519(16) .
C36 F5 1.325(9) .
C36 F4 1.326(9) .
C36 F6 1.332(9) .
O5 C37 1.244(11) .
O6 C37 1.229(11) .
C37 C38 1.570(12) .
C38 F9 1.311(12) .
C38 F8 1.327(12) .
C38 F7 1.356(11) .
O7 C39 1.227(12) .
O8 C39 1.218(12) .
C39 C40 1.556(14) .
C40 F12 1.279(15) .
C40 F10 1.327(14) .
C40 F11 1.346(17) .
O9 C41 1.242(11) .
O10 C41 1.250(10) .
C41 C42 1.539(12) .
C42 F15 1.323(11) .
C42 F14 1.323(11) .
C42 F13 1.330(11) .
O11 C43 1.239(11) .
O12 C43 1.238(11) .
C43 C44 1.545(12) .
C44 F16 1.291(11) .
C44 F18 1.304(13) .
C44 F17 1.309(11) .
O13 C45 1.231(12) .
O14 C45 1.252(11) .
C45 C46 1.568(14) .
C46 F20 1.308(12) .
C46 F21 1.318(12) .
C46 F19 1.341(12) .
O15 C47 1.236(12) .
O16 C47 1.225(12) .
C47 C48 1.548(13) .
C48 F22 1.322(11) .
C48 F23 1.325(12) .
C48 F24 1.344(12) .
O17 C49 1.231(11) .
O18 C49 1.233(11) .
C49 C50 1.520(15) .
C50 F26 1.255(13) .
C50 F27 1.317(13) .
C50 F25 1.434(16) .
O19 C51 1.239(11) .
O20 C51 1.240(11) .
C51 C52 1.543(12) .
C52 F28 1.313(11) .
C52 F29 1.337(11) .
C52 F30 1.342(11) .
O21 S1 1.527(6) .
S1 C54 1.764(10) .
S1 C53 1.785(10) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
O22 S2 1.507(6) .
S2 C56 1.783(11) .
S2 C55 1.789(12) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
O23 S3 1.523(7) .
S3 C58 1.751(10) .
S3 C57 1.756(13) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
O24 S4 1.542(7) .
O24 S4' 1.586(9) .
S4 C60 1.765(15) .
S4 C59 1.780(10) .
S4' C60' 1.75(3) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C60' H60D 0.9800 .
C60' H60E 0.9800 .
C60' H60F 0.9800 .
O25 S5 1.519(7) .
O25 Ag1 2.393(6) 1_565
S5 C61 1.764(10) .
S5 C62 1.776(10) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
O26 S6 1.509(8) .
S6 C64 1.770(11) .
S6 C63 1.781(12) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
O27 S7 1.523(7) .
O27 Ag3 2.532(7) 1_565
S7 C66 1.780(12) .
S7 C65 1.792(11) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
O28 S8 1.521(8) .
O28 Ag2 2.512(7) 1_565
S8 C68 1.745(13) .
S8 C67 1.776(13) .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
