#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324705.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_4324705
loop_
_publ_author_name
'Jian-Hong Liao'
'How-Wei Chang'
'Hong-Chih You'
'Ching-Shiang Fang'
'C. W. Liu'
_publ_section_title
;
 Tetrahedral-Shaped Anions as a Template in the Synthesis of
 High-Nuclearity Silver(I) Dithiophosphate Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2070
_journal_page_last               2072
_journal_paper_doi               10.1021/ic102453q
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C96 H240 Ag32 F24 O56 P28 S50'
_chemical_formula_weight         8668.88
_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                90.118(2)
_cell_angle_beta                 94.861(2)
_cell_angle_gamma                109.468(2)
_cell_formula_units_Z            1
_cell_length_a                   15.7461(14)
_cell_length_b                   19.5259(18)
_cell_length_c                   22.880(2)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.70
_cell_measurement_theta_min      2.16
_cell_volume                     6605.1(10)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0904
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            77116
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         0.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.948
_exptl_absorpt_correction_T_max  0.6830
_exptl_absorpt_correction_T_min  0.5765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.179
_exptl_crystal_description       block
_exptl_crystal_F_000             4204
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.800
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1250
_refine_ls_number_reflns         32924
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1613
_refine_ls_R_factor_gt           0.0550
_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)+(0.0732P)²+3.9758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1802
_reflns_number_gt                13020
_reflns_number_total             32924
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102453q_si_001_1.cif
_cod_data_source_block           1
_cod_database_code               4324705
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 1.08867(5) 0.63677(4) 0.20226(4) 0.0842(2) Uani 1 1 d . A .
Ag2 Ag 0.90149(6) 0.52272(5) 0.25552(4) 0.0886(2) Uani 1 1 d . A .
Ag3 Ag 1.06001(5) 0.67381(4) 0.38445(4) 0.0785(2) Uani 1 1 d . A .
Ag4 Ag 1.18460(6) 0.83833(5) 0.27724(4) 0.0993(3) Uani 1 1 d . . .
Ag5 Ag 1.11874(7) 0.84296(5) 0.11329(4) 0.1065(3) Uani 1 1 d . . .
Ag6 Ag 0.86112(6) 0.62401(5) 0.11548(4) 0.0976(3) Uani 1 1 d . A .
Ag7 Ag 0.71192(6) 0.60073(5) 0.23001(4) 0.0905(3) Uani 1 1 d . A .
Ag8 Ag 0.78245(6) 0.60810(5) 0.36730(4) 0.0999(3) Uani 1 1 d . A .
Ag9 Ag 1.00713(6) 0.81899(5) 0.38928(4) 0.0910(3) Uani 1 1 d . . .
Ag10 Ag 0.95786(6) 0.94112(6) 0.24661(4) 0.1034(3) Uani 1 1 d . . .
A11A Ag 0.8903(2) 0.8098(2) 0.11830(17) 0.1103(10) Uani 0.50 1 d P A 1
A11B Ag 0.9382(2) 0.83294(17) 0.13516(15) 0.0972(8) Uani 0.50 1 d P A 2
Ag12 Ag 0.78740(7) 0.81826(5) 0.27695(4) 0.1088(3) Uani 1 1 d . A .
Ag13 Ag 0.72395(5) 0.47117(4) 0.14991(3) 0.0748(2) Uani 1 1 d . A .
Ag14 Ag 0.79882(6) 0.78268(4) 0.41753(4) 0.0847(2) Uani 1 1 d . A .
Ag15 Ag 1.24784(5) 0.70993(4) 0.31054(3) 0.0704(2) Uani 1 1 d . A .
Ag16 Ag 1.01628(5) 0.98884(4) 0.08133(3) 0.0783(2) Uani 1 1 d . . .
S1 S 0.79311(19) 0.85101(14) 0.16802(11) 0.0811(7) Uani 1 1 d . . .
S2 S 0.93846(17) 1.02472(12) 0.16445(10) 0.0676(6) Uani 1 1 d . A .
S3 S 0.97750(17) 0.76202(12) 0.05215(11) 0.0711(6) Uani 1 1 d . A .
S4 S 0.91092(18) 0.90184(13) 0.00331(10) 0.0715(6) Uani 1 1 d . . .
S5 S 1.09356(15) 0.90259(12) 0.21971(10) 0.0621(5) Uani 1 1 d . A .
S6 S 1.17699(16) 0.98552(14) 0.10027(10) 0.0717(6) Uani 1 1 d . A .
S7 S 0.75919(18) 0.88230(14) 0.36597(12) 0.0790(7) Uani 1 1 d . . .
S8 S 0.98740(19) 0.94512(15) 0.35329(11) 0.0795(7) Uani 1 1 d . A .
S9 S 0.68049(18) 0.66016(14) 0.41339(11) 0.0787(7) Uani 1 1 d . . .
S10 S 0.65455(18) 0.69753(14) 0.26686(11) 0.0793(7) Uani 1 1 d . . .
S11 S 0.6861(2) 0.50907(16) 0.04951(11) 0.0837(8) Uani 1 1 d . . .
S12 S 0.73310(19) 0.66578(14) 0.12830(12) 0.0848(8) Uani 1 1 d . . .
S13 S 0.85413(15) 0.42740(12) 0.17527(10) 0.0633(6) Uani 1 1 d . . .
S14 S 0.98606(16) 0.58006(12) 0.10817(11) 0.0692(6) Uani 1 1 d . . .
S15 S 1.33229(16) 0.82239(12) 0.26147(10) 0.0654(6) Uani 1 1 d . A .
S16 S 1.18627(15) 0.74560(12) 0.13942(10) 0.0676(6) Uani 1 1 d . A .
S17 S 0.92417(17) 0.62932(14) 0.44325(12) 0.0804(7) Uani 1 1 d . . .
S18 S 0.93932(18) 0.80312(13) 0.48527(10) 0.0711(6) Uani 1 1 d . A .
S19 S 0.77938(17) 0.48601(15) 0.33370(11) 0.0776(7) Uani 1 1 d . . .
S20 S 0.61267(17) 0.46940(15) 0.22152(11) 0.0801(7) Uani 1 1 d . . .
S21 S 1.20362(16) 0.59019(12) 0.25734(10) 0.0643(6) Uani 1 1 d . . .
S22 S 1.02318(16) 0.53986(12) 0.34050(11) 0.0682(6) Uani 1 1 d . . .
S23 S 1.22443(16) 0.72321(12) 0.41628(10) 0.0649(6) Uani 1 1 d . . .
S24 S 1.17369(18) 0.87752(14) 0.38082(12) 0.0808(7) Uani 1 1 d . A .
S25 S 0.94263(13) 0.71207(10) 0.26031(8) 0.0471(4) Uani 1 1 d . . .
P1 P 0.81196(18) 0.95621(14) 0.15273(11) 0.0712(7) Uani 1 1 d . A .
P2 P 0.96099(16) 0.82504(12) -0.01409(10) 0.0596(6) Uani 1 1 d . . .
P3 P 1.18495(15) 0.98921(12) 0.18726(10) 0.0595(6) Uani 1 1 d . . .
P4 P 0.87935(17) 0.95927(13) 0.38387(10) 0.0648(6) Uani 1 1 d . A .
P5 P 0.60173(16) 0.67101(14) 0.34281(11) 0.0674(6) Uani 1 1 d . A .
P6 P 0.64597(18) 0.58913(15) 0.07400(11) 0.0731(7) Uani 1 1 d . A .
P7 P 0.93019(15) 0.47143(12) 0.11053(10) 0.0578(5) Uani 1 1 d . A .
P8 P 1.31130(15) 0.79219(11) 0.17615(10) 0.0549(5) Uani 1 1 d . . .
P9 P 0.92728(18) 0.70114(13) 0.50562(10) 0.0669(6) Uani 1 1 d . A .
P10 P 0.65677(17) 0.43237(13) 0.29532(11) 0.0685(6) Uani 1 1 d . A .
P11 P 1.13855(15) 0.52946(11) 0.32040(9) 0.0556(5) Uani 1 1 d . A .
P12 P 1.25228(16) 0.83111(13) 0.42556(10) 0.0619(6) Uani 1 1 d . A .
P13 P 0.6114(3) 0.1805(2) 0.09355(17) 0.1135(11) Uani 1 1 d . . .
P14 P 0.5830(4) 0.8291(2) 0.5904(2) 0.1349(14) Uani 1 1 d . . .
F1 F 0.6906(7) 0.1931(8) 0.0554(5) 0.220(5) Uani 1 1 d . . .
F2 F 0.5576(8) 0.1870(8) 0.0360(5) 0.230(6) Uani 1 1 d . . .
F3 F 0.5338(8) 0.1779(9) 0.1285(6) 0.255(7) Uani 1 1 d . . .
F4 F 0.6381(10) 0.2607(6) 0.1061(6) 0.248(7) Uani 1 1 d . . .
F5 F 0.6642(11) 0.1737(10) 0.1488(5) 0.281(8) Uani 1 1 d . . .
F6 F 0.5879(14) 0.1028(6) 0.0829(7) 0.311(9) Uani 1 1 d . . .
F7 F 0.5903(9) 0.7806(7) 0.6434(6) 0.243(6) Uani 1 1 d . . .
F8 F 0.6568(8) 0.8952(6) 0.6183(5) 0.221(5) Uani 1 1 d . . .
F9 F 0.5774(10) 0.8758(6) 0.5399(5) 0.231(6) Uani 1 1 d . . .
F10 F 0.4974(9) 0.7741(7) 0.5683(7) 0.262(7) Uani 1 1 d . . .
F11 F 0.5226(12) 0.8583(11) 0.6203(8) 0.309(9) Uani 1 1 d . . .
F12 F 0.6410(12) 0.7997(10) 0.5618(8) 0.301(9) Uani 1 1 d . . .
O1 O 0.9072(4) 0.9722(4) 0.4507(2) 0.0799(18) Uani 1 1 d . . .
O2 O 0.8645(4) 1.0300(3) 0.3596(3) 0.0800(18) Uani 1 1 d . . .
O3 O 0.5583(5) 0.7301(4) 0.3541(3) 0.093(2) Uani 1 1 d . . .
O4 O 0.5254(4) 0.5951(4) 0.3372(3) 0.087(2) Uani 1 1 d . . .
O5 O 0.8374(5) 0.6650(3) 0.5361(3) 0.089(2) Uani 1 1 d . . .
O6 O 1.0095(6) 0.7107(4) 0.5529(3) 0.117(3) Uani 1 1 d . . .
O7 O 0.5824(4) 0.4279(4) 0.3361(3) 0.098(2) Uani 1 1 d . . .
O8 O 0.6641(8) 0.3558(4) 0.2864(4) 0.151(4) Uani 1 1 d . . .
O9 O 0.6223(6) 0.6225(5) 0.0156(3) 0.121(3) Uani 1 1 d . . .
O10 O 0.5568(5) 0.5642(4) 0.1078(3) 0.095(2) Uani 1 1 d . . .
O11 O 0.7786(5) 0.9656(4) 0.0884(3) 0.098(2) Uani 1 1 d D . .
O12 O 0.7505(6) 0.9735(5) 0.1952(4) 0.121(3) Uani 1 1 d . . .
O13 O 0.8963(5) 0.7698(3) -0.0617(3) 0.087(2) Uani 1 1 d . A .
O14 O 1.0528(4) 0.8634(3) -0.0410(3) 0.0795(18) Uani 1 1 d . A .
O15 O 0.8755(4) 0.4479(3) 0.0491(2) 0.0670(15) Uani 1 1 d . . .
O16 O 1.0058(4) 0.4361(3) 0.1148(3) 0.0733(17) Uani 1 1 d . . .
O17 O 1.3596(4) 0.7364(3) 0.1632(3) 0.0772(17) Uani 1 1 d . A .
O18 O 1.3610(4) 0.8651(3) 0.1460(3) 0.0718(16) Uani 1 1 d . A .
O19 O 1.2791(4) 0.9895(3) 0.2158(3) 0.0717(16) Uani 1 1 d . A .
O20 O 1.1741(4) 1.0631(3) 0.2076(3) 0.0741(17) Uani 1 1 d . A .
O21 O 1.2503(5) 0.8524(4) 0.4915(3) 0.0839(19) Uani 1 1 d . . .
O22 O 1.3519(4) 0.8636(3) 0.4094(3) 0.0692(16) Uani 1 1 d . . .
O23 O 1.2086(4) 0.5466(3) 0.3762(2) 0.0696(16) Uani 1 1 d . . .
O24 O 1.1248(4) 0.4475(3) 0.3066(3) 0.0725(17) Uani 1 1 d . . .
O25 O 0.8775(4) 0.6398(3) 0.2592(4) 0.117(3) Uani 1 1 d . A .
O26A O 0.9223(7) 0.7681(6) 0.2965(5) 0.064(3) Uiso 0.50 1 d P B 1
O27A O 0.9402(7) 0.7317(5) 0.1989(4) 0.052(3) Uiso 0.50 1 d P B 1
O26B O 0.9289(14) 0.7143(11) 0.3255(9) 0.146(7) Uiso 0.50 1 d P B 2
O27B O 0.9168(10) 0.7671(8) 0.2342(6) 0.095(4) Uiso 0.50 1 d P A 2
O28 O 1.0352(4) 0.7131(4) 0.2728(4) 0.102(2) Uani 1 1 d . A .
C1 C 0.8479(11) 0.9951(9) 0.4920(5) 0.139(6) Uani 1 1 d . A .
H1A H 0.8815 1.0413 0.5118 0.167 Uiso 1 1 calc R . .
H1B H 0.7944 0.9994 0.4701 0.167 Uiso 1 1 calc R . .
C2 C 0.8260(13) 0.9444(9) 0.5289(9) 0.180(8) Uani 1 1 d . . .
H2A H 0.7875 0.9546 0.5555 0.271 Uiso 1 1 calc R A .
H2B H 0.8797 0.9417 0.5506 0.271 Uiso 1 1 calc R . .
H2C H 0.7946 0.8989 0.5083 0.271 Uiso 1 1 calc R . .
C3 C 0.9383(9) 1.1010(6) 0.3682(6) 0.123(5) Uani 1 1 d . A .
H3A H 0.9357 1.1231 0.4057 0.148 Uiso 1 1 calc R . .
H3B H 0.9964 1.0940 0.3683 0.148 Uiso 1 1 calc R . .
C4 C 0.9284(11) 1.1469(7) 0.3223(6) 0.139(5) Uani 1 1 d . . .
H4A H 0.9756 1.1932 0.3279 0.209 Uiso 1 1 calc R A .
H4B H 0.8707 1.1536 0.3224 0.209 Uiso 1 1 calc R . .
H4C H 0.9321 1.1252 0.2853 0.209 Uiso 1 1 calc R . .
C5 C 0.5293(11) 0.7589(11) 0.4109(6) 0.187(8) Uani 1 1 d D A .
H5A H 0.5758 0.7674 0.4433 0.224 Uiso 1 1 calc R . .
H5B H 0.5160 0.8034 0.4037 0.224 Uiso 1 1 calc R . .
C6 C 0.4465(13) 0.6979(11) 0.4225(10) 0.247(11) Uiso 1 1 d D . .
H6A H 0.4252 0.7079 0.4585 0.371 Uiso 1 1 calc R A .
H6B H 0.4604 0.6537 0.4255 0.371 Uiso 1 1 calc R . .
H6C H 0.4004 0.6928 0.3908 0.371 Uiso 1 1 calc R . .
C7 C 0.4531(8) 0.5746(7) 0.2912(6) 0.114(4) Uani 1 1 d . A .
H7A H 0.4778 0.5766 0.2536 0.137 Uiso 1 1 calc R . .
H7B H 0.4202 0.6086 0.2912 0.137 Uiso 1 1 calc R . .
C8 C 0.3919(8) 0.5020(6) 0.2990(6) 0.118(4) Uani 1 1 d . . .
H8A H 0.3445 0.4892 0.2675 0.176 Uiso 1 1 calc R A .
H8B H 0.3660 0.5004 0.3357 0.176 Uiso 1 1 calc R . .
H8C H 0.4244 0.4683 0.2990 0.176 Uiso 1 1 calc R . .
C9 C 0.8066(11) 0.7049(8) 0.5783(6) 0.144(6) Uani 1 1 d . A .
H9A H 0.8561 0.7277 0.6078 0.172 Uiso 1 1 calc R . .
H9B H 0.7904 0.7432 0.5583 0.172 Uiso 1 1 calc R . .
C10 C 0.7368(11) 0.6642(9) 0.6045(7) 0.164(7) Uani 1 1 d . . .
H10A H 0.7201 0.6936 0.6319 0.247 Uiso 1 1 calc R A .
H10B H 0.7526 0.6266 0.6249 0.247 Uiso 1 1 calc R . .
H10C H 0.6868 0.6425 0.5757 0.247 Uiso 1 1 calc R . .
C11 C 1.0513(15) 0.6638(12) 0.5711(10) 0.209(9) Uiso 1 1 d . A .
H11A H 1.0054 0.6257 0.5892 0.251 Uiso 1 1 calc R . .
H11B H 1.0606 0.6419 0.5352 0.251 Uiso 1 1 calc R . .
C12 C 1.1240(12) 0.6725(11) 0.6044(11) 0.254(14) Uani 1 1 d . . .
H12A H 1.1356 0.6273 0.6068 0.380 Uiso 1 1 calc R A .
H12B H 1.1172 0.6883 0.6430 0.380 Uiso 1 1 calc R . .
H12C H 1.1738 0.7084 0.5885 0.380 Uiso 1 1 calc R . .
C13 C 0.5840(10) 0.4026(9) 0.3958(6) 0.143(6) Uani 1 1 d . A .
H13A H 0.5619 0.3499 0.3952 0.171 Uiso 1 1 calc R . .
H13B H 0.6456 0.4193 0.4140 0.171 Uiso 1 1 calc R . .
C14 C 0.5279(11) 0.4302(11) 0.4294(7) 0.185(8) Uani 1 1 d . . .
H14A H 0.5255 0.4104 0.4678 0.277 Uiso 1 1 calc R A .
H14B H 0.4679 0.4162 0.4099 0.277 Uiso 1 1 calc R . .
H14C H 0.5530 0.4822 0.4328 0.277 Uiso 1 1 calc R . .
C15 C 0.6040(16) 0.2957(13) 0.2549(11) 0.241(11) Uiso 1 1 d . A .
H15A H 0.6049 0.3020 0.2129 0.289 Uiso 1 1 calc R . .
H15B H 0.5427 0.2847 0.2656 0.289 Uiso 1 1 calc R . .
C16 C 0.6466(18) 0.2351(15) 0.2764(12) 0.299(14) Uiso 1 1 d . . .
H16A H 0.6164 0.1906 0.2541 0.449 Uiso 1 1 calc R A .
H16B H 0.6390 0.2269 0.3172 0.449 Uiso 1 1 calc R . .
H16C H 0.7098 0.2514 0.2707 0.449 Uiso 1 1 calc R . .
C17 C 0.6023(17) 0.6890(14) 0.0122(11) 0.237(11) Uiso 1 1 d . A .
H17A H 0.5628 0.6897 0.0423 0.284 Uiso 1 1 calc R . .
H17B H 0.6582 0.7293 0.0207 0.284 Uiso 1 1 calc R . .
C18 C 0.564(2) 0.6992(16) -0.0388(13) 0.321(17) Uiso 1 1 d . . .
H18A H 0.5492 0.7431 -0.0366 0.482 Uiso 1 1 calc R A .
H18B H 0.5094 0.6588 -0.0485 0.482 Uiso 1 1 calc R . .
H18C H 0.6045 0.7031 -0.0686 0.482 Uiso 1 1 calc R . .
C19 C 0.4766(9) 0.5074(10) 0.0875(6) 0.155(7) Uani 1 1 d . A .
H19A H 0.4899 0.4625 0.0843 0.186 Uiso 1 1 calc R . .
H19B H 0.4559 0.5183 0.0486 0.186 Uiso 1 1 calc R . .
C20 C 0.4060(9) 0.4971(11) 0.1252(7) 0.189(9) Uani 1 1 d . . .
H20A H 0.3546 0.4564 0.1108 0.284 Uiso 1 1 calc R A .
H20B H 0.3891 0.5400 0.1260 0.284 Uiso 1 1 calc R . .
H20C H 0.4269 0.4882 0.1641 0.284 Uiso 1 1 calc R . .
C21 C 0.6859(8) 0.9207(10) 0.0672(8) 0.216(10) Uani 1 1 d D A .
H21A H 0.6431 0.9283 0.0923 0.259 Uiso 1 1 calc R . .
H21B H 0.6799 0.8696 0.0671 0.259 Uiso 1 1 calc R . .
C22 C 0.6690(16) 0.9435(13) 0.0068(8) 0.253(11) Uiso 1 1 d D . .
H22A H 0.6070 0.9188 -0.0074 0.379 Uiso 1 1 calc R A .
H22B H 0.7079 0.9313 -0.0184 0.379 Uiso 1 1 calc R . .
H22C H 0.6810 0.9950 0.0070 0.379 Uiso 1 1 calc R . .
C23 C 0.7293(14) 1.0350(11) 0.2028(9) 0.198(8) Uiso 1 1 d . A .
H23A H 0.7007 1.0458 0.1664 0.238 Uiso 1 1 calc R . .
H23B H 0.7840 1.0757 0.2135 0.238 Uiso 1 1 calc R . .
C24 C 0.6662(11) 1.0247(12) 0.2504(7) 0.211(10) Uani 1 1 d . . .
H24A H 0.6561 1.0696 0.2581 0.316 Uiso 1 1 calc R A .
H24B H 0.6927 1.0101 0.2854 0.316 Uiso 1 1 calc R . .
H24C H 0.6097 0.9878 0.2379 0.316 Uiso 1 1 calc R . .
C25 C 0.8493(14) 0.7926(9) -0.1106(8) 0.191(9) Uani 1 1 d . . .
H25A H 0.8342 0.8343 -0.0982 0.230 Uiso 1 1 calc R A .
H25B H 0.8894 0.8077 -0.1416 0.230 Uiso 1 1 calc R . .
C26 C 0.7725(12) 0.7398(12) -0.1324(10) 0.254(13) Uani 1 1 d . A .
H26A H 0.7454 0.7575 -0.1655 0.380 Uiso 1 1 calc R . .
H26B H 0.7310 0.7264 -0.1026 0.380 Uiso 1 1 calc R . .
H26C H 0.7868 0.6981 -0.1444 0.380 Uiso 1 1 calc R . .
C27 C 1.1169(8) 0.8296(7) -0.0558(6) 0.109(4) Uani 1 1 d . . .
H27A H 1.1217 0.7961 -0.0254 0.131 Uiso 1 1 calc R A .
H27B H 1.1759 0.8667 -0.0565 0.131 Uiso 1 1 calc R . .
C28 C 1.0925(9) 0.7900(7) -0.1126(6) 0.124(5) Uani 1 1 d . A .
H28A H 1.1374 0.7684 -0.1199 0.185 Uiso 1 1 calc R . .
H28B H 1.0894 0.8230 -0.1431 0.185 Uiso 1 1 calc R . .
H28C H 1.0347 0.7525 -0.1121 0.185 Uiso 1 1 calc R . .
C29 C 0.8241(9) 0.3713(5) 0.0333(5) 0.106(4) Uani 1 1 d . A .
H29A H 0.8658 0.3462 0.0251 0.128 Uiso 1 1 calc R . .
H29B H 0.7920 0.3484 0.0663 0.128 Uiso 1 1 calc R . .
C30 C 0.7606(9) 0.3640(6) -0.0168(5) 0.120(4) Uani 1 1 d . . .
H30A H 0.7277 0.3134 -0.0253 0.180 Uiso 1 1 calc R A .
H30B H 0.7923 0.3849 -0.0500 0.180 Uiso 1 1 calc R . .
H30C H 0.7191 0.3887 -0.0089 0.180 Uiso 1 1 calc R . .
C31 C 1.0726(9) 0.4513(9) 0.0719(6) 0.142(6) Uani 1 1 d . A .
H31A H 1.0417 0.4324 0.0338 0.170 Uiso 1 1 calc R . .
H31B H 1.0995 0.5036 0.0693 0.170 Uiso 1 1 calc R . .
C32 C 1.1369(11) 0.4243(12) 0.0832(8) 0.204(10) Uani 1 1 d . . .
H32A H 1.1773 0.4365 0.0527 0.306 Uiso 1 1 calc R A .
H32B H 1.1113 0.3724 0.0850 0.306 Uiso 1 1 calc R . .
H32C H 1.1696 0.4440 0.1202 0.306 Uiso 1 1 calc R . .
C33 C 1.4552(9) 0.7506(10) 0.1896(6) 0.150(7) Uani 1 1 d . . .
H33A H 1.4785 0.7977 0.2099 0.180 Uiso 1 1 calc R A .
H33B H 1.4573 0.7136 0.2174 0.180 Uiso 1 1 calc R . .
C34 C 1.5023(17) 0.7488(14) 0.1466(11) 0.269(13) Uiso 1 1 d . A .
H34A H 1.5629 0.7537 0.1616 0.404 Uiso 1 1 calc R . .
H34B H 1.5035 0.7881 0.1211 0.404 Uiso 1 1 calc R . .
H34C H 1.4755 0.7034 0.1250 0.404 Uiso 1 1 calc R . .
C35 C 1.3659(7) 0.8685(6) 0.0836(4) 0.086(3) Uani 1 1 d . . .
H35A H 1.3082 0.8669 0.0639 0.104 Uiso 1 1 calc R A .
H35B H 1.3812 0.8277 0.0691 0.104 Uiso 1 1 calc R . .
C36 C 1.4359(11) 0.9368(7) 0.0726(6) 0.163(7) Uani 1 1 d . A .
H36A H 1.4422 0.9405 0.0312 0.245 Uiso 1 1 calc R . .
H36B H 1.4923 0.9381 0.0930 0.245 Uiso 1 1 calc R . .
H36C H 1.4193 0.9766 0.0863 0.245 Uiso 1 1 calc R . .
C37 C 1.3622(7) 1.0433(7) 0.1988(5) 0.103(4) Uani 1 1 d . . .
H37A H 1.3710 1.0337 0.1586 0.124 Uiso 1 1 calc R A .
H37B H 1.3581 1.0916 0.2016 0.124 Uiso 1 1 calc R . .
C38 C 1.4379(7) 1.0388(7) 0.2379(7) 0.132(5) Uani 1 1 d . A .
H38A H 1.4933 1.0721 0.2259 0.197 Uiso 1 1 calc R . .
H38B H 1.4398 0.9902 0.2364 0.197 Uiso 1 1 calc R . .
H38C H 1.4306 1.0513 0.2774 0.197 Uiso 1 1 calc R . .
C39 C 1.1871(9) 1.0824(6) 0.2698(5) 0.109(4) Uani 1 1 d . . .
H39A H 1.1449 1.0444 0.2905 0.130 Uiso 1 1 calc R A .
H39B H 1.2479 1.0859 0.2849 0.130 Uiso 1 1 calc R . .
C40 C 1.1734(13) 1.1504(8) 0.2804(7) 0.183(8) Uani 1 1 d . A .
H40A H 1.1823 1.1618 0.3218 0.274 Uiso 1 1 calc R . .
H40B H 1.1129 1.1467 0.2660 0.274 Uiso 1 1 calc R . .
H40C H 1.2158 1.1882 0.2605 0.274 Uiso 1 1 calc R . .
C41 C 1.3107(8) 0.8387(7) 0.5366(4) 0.104(4) Uani 1 1 d . A .
H41A H 1.3726 0.8599 0.5269 0.125 Uiso 1 1 calc R . .
H41B H 1.2973 0.7867 0.5402 0.125 Uiso 1 1 calc R . .
C42 C 1.2992(9) 0.8712(8) 0.5928(5) 0.134(5) Uani 1 1 d . . .
H42A H 1.3391 0.8621 0.6235 0.202 Uiso 1 1 calc R A .
H42B H 1.2377 0.8500 0.6021 0.202 Uiso 1 1 calc R . .
H42C H 1.3133 0.9227 0.5891 0.202 Uiso 1 1 calc R . .
C43 C 1.3973(8) 0.9433(6) 0.4073(6) 0.115(4) Uani 1 1 d . A .
H43A H 1.3701 0.9628 0.3747 0.138 Uiso 1 1 calc R . .
H43B H 1.3919 0.9670 0.4434 0.138 Uiso 1 1 calc R . .
C44 C 1.4918(9) 0.9549(8) 0.3998(8) 0.187(8) Uani 1 1 d . . .
H44A H 1.5238 1.0060 0.3976 0.280 Uiso 1 1 calc R A .
H44B H 1.4960 0.9305 0.3642 0.280 Uiso 1 1 calc R . .
H44C H 1.5180 0.9359 0.4326 0.280 Uiso 1 1 calc R . .
C45 C 1.1852(8) 0.5154(6) 0.4326(5) 0.104(4) Uani 1 1 d . A .
H45A H 1.1342 0.5277 0.4445 0.125 Uiso 1 1 calc R . .
H45B H 1.1670 0.4629 0.4288 0.125 Uiso 1 1 calc R . .
C46 C 1.2567(12) 0.5404(9) 0.4751(6) 0.201(10) Uani 1 1 d . . .
H46A H 1.2389 0.5189 0.5118 0.301 Uiso 1 1 calc R A .
H46B H 1.2743 0.5923 0.4793 0.301 Uiso 1 1 calc R . .
H46C H 1.3068 0.5274 0.4638 0.301 Uiso 1 1 calc R . .
C47 C 1.0690(9) 0.4082(6) 0.2579(6) 0.120(5) Uani 1 1 d . A .
H47A H 1.0074 0.4061 0.2619 0.144 Uiso 1 1 calc R . .
H47B H 1.0880 0.4344 0.2227 0.144 Uiso 1 1 calc R . .
C48 C 1.0697(13) 0.3372(7) 0.2505(7) 0.184(9) Uani 1 1 d . . .
H48A H 1.0312 0.3146 0.2161 0.277 Uiso 1 1 calc R A .
H48B H 1.0482 0.3099 0.2843 0.277 Uiso 1 1 calc R . .
H48C H 1.1303 0.3385 0.2461 0.277 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
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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'
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
S21 Ag1 O28 109.39(18) . .
S21 Ag1 S14 127.15(8) . .
O28 Ag1 S14 118.78(16) . .
S21 Ag1 S16 104.81(8) . .
O28 Ag1 S16 97.80(18) . .
S14 Ag1 S16 89.50(7) . .
S21 Ag1 Ag15 48.08(6) . .
O28 Ag1 Ag15 69.42(15) . .
S14 Ag1 Ag15 170.73(7) . .
S16 Ag1 Ag15 84.86(5) . .
S21 Ag1 Ag2 98.00(6) . .
O28 Ag1 Ag2 73.46(15) . .
S14 Ag1 Ag2 77.14(6) . .
S16 Ag1 Ag2 157.17(6) . .
Ag15 Ag1 Ag2 110.50(3) . .
O25 Ag2 S13 129.1(2) . .
O25 Ag2 S22 100.88(19) . .
S13 Ag2 S22 128.05(8) . .
O25 Ag2 S19 84.0(2) . .
S13 Ag2 S19 108.17(8) . .
S22 Ag2 S19 87.85(8) . .
O25 Ag2 Ag1 76.99(19) . .
S13 Ag2 Ag1 99.15(6) . .
S22 Ag2 Ag1 76.71(6) . .
S19 Ag2 Ag1 152.59(7) . .
S23 Ag3 S17 131.00(9) . .
S23 Ag3 S22 108.09(8) . .
S17 Ag3 S22 89.86(8) . .
S23 Ag3 Ag9 100.80(6) . .
S17 Ag3 Ag9 80.41(7) . .
S22 Ag3 Ag9 148.43(6) . .
S5 Ag4 S15 131.64(8) . .
S5 Ag4 S24 101.05(8) . .
S15 Ag4 S24 114.04(9) . .
S5 Ag4 Ag15 155.89(7) . .
S15 Ag4 Ag15 51.77(5) . .
S24 Ag4 Ag15 96.37(6) . .
S16 Ag5 S3 97.24(8) . .
S16 Ag5 S6 137.51(8) . .
S3 Ag5 S6 120.31(8) . .
S16 Ag5 S5 106.69(8) . .
S3 Ag5 S5 117.25(9) . .
S6 Ag5 S5 74.82(7) . .
S16 Ag5 A11B 123.41(9) . .
S3 Ag5 A11B 56.49(9) . .
S6 Ag5 A11B 95.41(9) . .
S5 Ag5 A11B 61.92(8) . .
S14 Ag6 S12 176.82(10) . .
S14 Ag6 Ag13 94.79(6) . .
S12 Ag6 Ag13 83.24(7) . .
O25 Ag7 S20 122.86(16) . .
O25 Ag7 S10 107.62(19) . .
S20 Ag7 S10 121.17(9) . .
O25 Ag7 S12 93.5(2) . .
S20 Ag7 S12 113.87(9) . .
S10 Ag7 S12 89.01(9) . .
O25 Ag7 Ag13 90.8(2) . .
S20 Ag7 Ag13 50.12(6) . .
S10 Ag7 Ag13 159.38(7) . .
S12 Ag7 Ag13 80.46(6) . .
O25 Ag7 Ag8 60.7(2) . .
S20 Ag7 Ag8 98.78(7) . .
S10 Ag7 Ag8 80.03(7) . .
S12 Ag7 Ag8 146.47(7) . .
Ag13 Ag7 Ag8 118.09(4) . .
S9 Ag8 S19 137.26(10) . .
S9 Ag8 S17 106.41(9) . .
S19 Ag8 S17 94.30(9) . .
S9 Ag8 Ag7 102.30(7) . .
S19 Ag8 Ag7 76.85(7) . .
S17 Ag8 Ag7 145.37(7) . .
O26' Ag9 O26A 30.4(5) . .
O26' Ag9 S18 109.4(5) . .
O26A Ag9 S18 123.6(3) . .
O26' Ag9 S24 116.6(5) . .
O26A Ag9 S24 113.1(3) . .
S18 Ag9 S24 122.95(9) . .
O26' Ag9 S8 115.1(5) . .
O26A Ag9 S8 85.0(3) . .
S18 Ag9 S8 102.17(8) . .
S24 Ag9 S8 87.42(9) . .
O26' Ag9 Ag3 55.3(5) . .
O26A Ag9 Ag3 82.1(3) . .
S18 Ag9 Ag3 99.52(6) . .
S24 Ag9 Ag3 81.71(6) . .
S8 Ag9 Ag3 158.28(6) . .
O26' Ag9 Ag14 77.6(5) . .
O26A Ag9 Ag14 76.8(3) . .
S18 Ag9 Ag14 49.79(6) . .
S24 Ag9 Ag14 165.24(7) . .
S8 Ag9 Ag14 82.50(6) . .
Ag3 Ag9 Ag14 111.22(3) . .
S8 Ag10 S2 139.08(9) . .
S8 Ag10 S5 98.31(8) . .
S2 Ag10 S5 104.23(8) . .
S8 Ag10 Ag12 80.50(7) . .
S2 Ag10 Ag12 117.27(7) . .
S5 Ag10 Ag12 116.57(7) . .
S8 Ag10 A11B 139.66(9) . .
S2 Ag10 A11B 81.11(8) . .
S5 Ag10 A11B 58.88(7) . .
Ag12 Ag10 A11B 81.80(6) . .
S1 A11A S3 171.49(18) . .
S3 A11B S1 136.50(15) . .
S3 A11B O27' 114.6(3) . .
S1 A11B O27' 76.8(3) . .
S3 A11B Ag5 55.54(9) . .
S1 A11B Ag5 167.18(14) . .
O27' A11B Ag5 102.9(3) . .
S3 A11B S5 112.52(12) . .
S1 A11B S5 110.78(14) . .
O27' A11B S5 70.0(3) . .
Ag5 A11B S5 58.03(7) . .
S3 A11B Ag16 96.33(11) . .
S1 A11B Ag16 95.63(11) . .
O27' A11B Ag16 142.4(3) . .
Ag5 A11B Ag16 76.70(8) . .
S5 A11B Ag16 78.99(8) . .
S3 A11B Ag10 161.82(13) . .
S1 A11B Ag10 61.59(9) . .
O27' A11B Ag10 66.6(3) . .
Ag5 A11B Ag10 106.28(9) . .
S5 A11B Ag10 49.79(7) . .
Ag16 A11B Ag10 77.36(7) . .
S7 Ag12 S10 104.24(9) . .
S7 Ag12 S1 131.96(9) . .
S10 Ag12 S1 99.16(9) . .
S7 Ag12 Ag10 96.39(7) . .
S10 Ag12 Ag10 159.22(7) . .
S1 Ag12 Ag10 64.23(7) . .
S7 Ag12 Ag14 48.71(6) . .
S10 Ag12 Ag14 84.82(6) . .
S1 Ag12 Ag14 175.17(8) . .
Ag10 Ag12 Ag14 111.26(4) . .
S20 Ag13 S13 121.86(8) . .
S20 Ag13 S11 114.47(9) . .
S13 Ag13 S11 123.44(9) . .
S20 Ag13 Ag7 50.83(7) . .
S13 Ag13 Ag7 116.72(6) . .
S11 Ag13 Ag7 101.66(7) . .
S20 Ag13 Ag6 118.86(7) . .
S13 Ag13 Ag6 89.84(6) . .
S11 Ag13 Ag6 66.47(7) . .
Ag7 Ag13 Ag6 68.62(3) . .
S9 Ag14 S7 117.39(9) . .
S9 Ag14 S18 118.11(9) . .
S7 Ag14 S18 123.77(9) . .
S9 Ag14 Ag9 126.25(7) . .
S7 Ag14 Ag9 101.29(7) . .
S18 Ag14 Ag9 49.55(6) . .
S9 Ag14 Ag12 98.83(7) . .
S7 Ag14 Ag12 49.57(6) . .
S18 Ag14 Ag12 126.97(7) . .
Ag9 Ag14 Ag12 78.35(3) . .
S15 Ag15 S21 119.85(8) . .
S15 Ag15 S23 116.77(8) . .
S21 Ag15 S23 123.12(8) . .
S15 Ag15 Ag4 52.32(6) . .
S21 Ag15 Ag4 126.89(6) . .
S23 Ag15 Ag4 91.97(6) . .
S15 Ag15 Ag1 98.18(6) . .
S21 Ag15 Ag1 49.18(6) . .
S23 Ag15 Ag1 126.62(6) . .
Ag4 Ag15 Ag1 78.31(3) . .
S4 Ag16 S6 117.79(9) . .
S4 Ag16 S2 115.19(9) . .
S6 Ag16 S2 120.31(8) . .
S4 Ag16 S4 92.65(8) . 2_775
S6 Ag16 S4 85.98(7) . 2_775
S2 Ag16 S4 117.09(7) . 2_775
S4 Ag16 A11B 71.05(8) . .
S6 Ag16 A11B 90.40(8) . .
S2 Ag16 A11B 82.25(8) . .
S4 Ag16 A11B 159.26(8) 2_775 .
P1 S1 A11A 111.21(16) . .
P1 S1 Ag12 114.69(14) . .
A11A S1 Ag12 114.55(15) . .
P1 S1 A11B 103.56(15) . .
A11A S1 A11B 17.69(9) . .
Ag12 S1 A11B 106.19(13) . .
P1 S2 Ag10 84.90(11) . .
P1 S2 Ag16 103.74(12) . .
Ag10 S2 Ag16 102.94(8) . .
P2 S3 A11A 93.29(14) . .
P2 S3 Ag5 103.66(11) . .
A11A S3 Ag5 86.05(11) . .
P2 S3 A11B 97.51(13) . .
A11A S3 A11B 18.08(7) . .
Ag5 S3 A11B 67.97(9) . .
P2 S4 Ag16 109.00(12) . .
P2 S4 Ag16 103.72(12) . 2_775
Ag16 S4 Ag16 87.35(8) . 2_775
P3 S5 Ag4 105.21(11) . .
P3 S5 Ag10 108.06(11) . .
Ag4 S5 Ag10 131.11(9) . .
P3 S5 Ag5 79.06(10) . .
Ag4 S5 Ag5 91.67(7) . .
Ag10 S5 Ag5 128.93(9) . .
P3 S5 A11B 112.67(13) . .
Ag4 S5 A11B 125.22(11) . .
Ag10 S5 A11B 71.33(9) . .
Ag5 S5 A11B 60.05(8) . .
P3 S6 Ag16 97.78(11) . .
P3 S6 Ag5 83.68(10) . .
Ag16 S6 Ag5 92.45(8) . .
P4 S7 Ag14 96.43(12) . .
P4 S7 Ag12 101.28(13) . .
Ag14 S7 Ag12 81.72(8) . .
P4 S8 Ag10 105.03(13) . .
P4 S8 Ag9 111.25(13) . .
Ag10 S8 Ag9 109.93(10) . .
P5 S9 Ag8 100.84(13) . .
P5 S9 Ag14 99.52(13) . .
Ag8 S9 Ag14 90.29(9) . .
P5 S10 Ag7 110.98(14) . .
P5 S10 Ag12 111.17(13) . .
Ag7 S10 Ag12 108.10(10) . .
P6 S11 Ag13 97.30(12) . .
P6 S12 Ag6 94.36(13) . .
P6 S12 Ag7 101.34(13) . .
Ag6 S12 Ag7 89.64(10) . .
P7 S13 Ag2 104.81(11) . .
P7 S13 Ag13 99.34(11) . .
Ag2 S13 Ag13 86.22(8) . .
P7 S14 Ag6 104.30(12) . .
P7 S14 Ag1 112.94(12) . .
Ag6 S14 Ag1 101.78(9) . .
P8 S15 Ag15 103.42(11) . .
P8 S15 Ag4 100.50(11) . .
Ag15 S15 Ag4 75.90(7) . .
P8 S16 Ag5 108.90(11) . .
P8 S16 Ag1 112.38(11) . .
Ag5 S16 Ag1 116.45(10) . .
P9 S17 Ag3 111.78(13) . .
P9 S17 Ag8 110.64(13) . .
Ag3 S17 Ag8 105.65(10) . .
P9 S18 Ag9 103.93(12) . .
P9 S18 Ag14 100.88(12) . .
Ag9 S18 Ag14 80.66(7) . .
P10 S19 Ag8 108.61(13) . .
P10 S19 Ag2 111.18(13) . .
Ag8 S19 Ag2 100.65(10) . .
P10 S20 Ag13 105.34(13) . .
P10 S20 Ag7 100.33(12) . .
Ag13 S20 Ag7 79.05(8) . .
P11 S21 Ag15 97.40(11) . .
P11 S21 Ag1 105.39(12) . .
Ag15 S21 Ag1 82.74(7) . .
P11 S22 Ag2 116.04(12) . .
P11 S22 Ag3 107.81(11) . .
Ag2 S22 Ag3 106.60(9) . .
P12 S23 Ag3 104.91(12) . .
P12 S23 Ag15 101.75(11) . .
Ag3 S23 Ag15 85.95(7) . .
P12 S24 Ag9 115.20(14) . .
P12 S24 Ag4 100.59(13) . .
Ag9 S24 Ag4 100.65(10) . .
O27' S25 O25 118.7(7) . .
O27' S25 O28 125.7(7) . .
O25 S25 O28 112.7(4) . .
O27' S25 O27A 50.6(7) . .
O25 S25 O27A 103.2(5) . .
O28 S25 O27A 102.6(5) . .
O27' S25 O26A 58.7(7) . .
O25 S25 O26A 115.7(6) . .
O28 S25 O26A 112.4(5) . .
O27A S25 O26A 108.9(6) . .
O27' S25 O26' 107.5(10) . .
O25 S25 O26' 85.6(9) . .
O28 S25 O26' 92.2(8) . .
O27A S25 O26' 158.0(9) . .
O26A S25 O26' 49.6(8) . .
O12 P1 O11 110.1(5) . .
O12 P1 S2 112.1(4) . .
O11 P1 S2 105.3(3) . .
O12 P1 S1 101.9(4) . .
O11 P1 S1 110.7(3) . .
S2 P1 S1 116.75(16) . .
O14 P2 O13 107.9(4) . .
O14 P2 S4 106.5(3) . .
O13 P2 S4 110.0(3) . .
O14 P2 S3 111.0(3) . .
O13 P2 S3 103.9(3) . .
S4 P2 S3 117.30(15) . .
O19 P3 O20 106.5(3) . .
O19 P3 S6 112.6(3) . .
O20 P3 S6 108.0(3) . .
O19 P3 S5 105.3(3) . .
O20 P3 S5 111.9(3) . .
S6 P3 S5 112.43(15) . .
O1 P4 O2 107.7(4) . .
O1 P4 S8 102.9(3) . .
O2 P4 S8 111.1(3) . .
O1 P4 S7 112.7(3) . .
O2 P4 S7 103.9(3) . .
S8 P4 S7 118.47(16) . .
O3 P5 O4 108.6(4) . .
O3 P5 S10 103.8(3) . .
O4 P5 S10 110.7(3) . .
O3 P5 S9 111.3(3) . .
O4 P5 S9 102.4(3) . .
S10 P5 S9 119.69(16) . .
O9 P6 O10 106.9(5) . .
O9 P6 S11 104.8(3) . .
O10 P6 S11 114.4(3) . .
O9 P6 S12 110.9(4) . .
O10 P6 S12 102.9(3) . .
S11 P6 S12 116.66(17) . .
O16 P7 O15 107.0(3) . .
O16 P7 S13 104.1(2) . .
O15 P7 S13 111.0(3) . .
O16 P7 S14 109.8(3) . .
O15 P7 S14 104.8(2) . .
S13 P7 S14 119.57(15) . .
O17 P8 O18 108.1(4) . .
O17 P8 S16 103.8(3) . .
O18 P8 S16 111.5(3) . .
O17 P8 S15 110.8(3) . .
O18 P8 S15 102.4(3) . .
S16 P8 S15 119.96(15) . .
O6 P9 O5 107.9(5) . .
O6 P9 S17 110.5(3) . .
O5 P9 S17 104.4(3) . .
O6 P9 S18 103.4(3) . .
O5 P9 S18 110.1(3) . .
S17 P9 S18 120.16(16) . .
O7 P10 O8 109.6(5) . .
O7 P10 S19 111.8(3) . .
O8 P10 S19 100.7(4) . .
O7 P10 S20 102.7(3) . .
O8 P10 S20 112.6(4) . .
S19 P10 S20 119.50(16) . .
O24 P11 O23 101.9(3) . .
O24 P11 S22 110.1(3) . .
O23 P11 S22 110.0(3) . .
O24 P11 S21 109.3(3) . .
O23 P11 S21 105.6(3) . .
S22 P11 S21 118.61(14) . .
O22 P12 O21 108.0(4) . .
O22 P12 S24 110.8(3) . .
O21 P12 S24 104.8(3) . .
O22 P12 S23 103.6(3) . .
O21 P12 S23 110.0(3) . .
S24 P12 S23 119.26(15) . .
F6 P13 F5 88.6(9) . .
F6 P13 F4 178.1(11) . .
F5 P13 F4 89.5(8) . .
F6 P13 F3 97.6(9) . .
F5 P13 F3 89.0(8) . .
F4 P13 F3 82.9(8) . .
F6 P13 F2 90.9(8) . .
F5 P13 F2 179.1(8) . .
F4 P13 F2 91.0(9) . .
F3 P13 F2 91.7(7) . .
F6 P13 F1 89.1(9) . .
F5 P13 F1 94.6(8) . .
F4 P13 F1 90.6(7) . .
F3 P13 F1 172.5(9) . .
F2 P13 F1 84.7(6) . .
F12 P14 F10 96.9(11) . .
F12 P14 F11 179.0(11) . .
F10 P14 F11 82.6(10) . .
F12 P14 F9 91.6(9) . .
F10 P14 F9 91.0(8) . .
F11 P14 F9 89.2(10) . .
F12 P14 F8 96.7(10) . .
F10 P14 F8 166.2(11) . .
F11 P14 F8 83.9(9) . .
F9 P14 F8 86.4(7) . .
F12 P14 F7 88.0(9) . .
F10 P14 F7 89.7(8) . .
F11 P14 F7 91.1(10) . .
F9 P14 F7 179.2(9) . .
F8 P14 F7 93.0(7) . .
C1 O1 P4 121.2(7) . .
C3 O2 P4 120.1(7) . .
P5 O3 C5 133.4(9) . .
C7 O4 P5 123.9(7) . .
C9 O5 P9 121.9(8) . .
C11 O6 P9 130.8(11) . .
C13 O7 P10 123.3(8) . .
C15 O8 P10 128.9(14) . .
C17 O9 P6 124.4(12) . .
C19 O10 P6 123.9(8) . .
C21 O11 P1 117.3(9) . .
C23 O12 P1 130.4(11) . .
C25 O13 P2 122.4(8) . .
C27 O14 P2 126.2(7) . .
C29 O15 P7 121.7(6) . .
C31 O16 P7 120.8(6) . .
C33 O17 P8 119.0(7) . .
C35 O18 P8 121.9(6) . .
C37 O19 P3 120.1(6) . .
C39 O20 P3 118.7(6) . .
C41 O21 P12 121.2(7) . .
C43 O22 P12 121.0(7) . .
C45 O23 P11 122.4(6) . .
C47 O24 P11 122.8(6) . .
S25 O25 Ag2 129.3(4) . .
S25 O25 Ag7 128.2(4) . .
Ag2 O25 Ag7 100.2(2) . .
S25 O26A Ag9 123.1(6) . .
S25 O26' Ag9 122.7(11) . .
S25 O27' A11B 136.0(9) . .
S25 O28 Ag1 115.9(4) . .
C2 C1 O1 105.1(15) . .
C2 C1 H1A 110.7 . .
O1 C1 H1A 110.7 . .
C2 C1 H1B 110.7 . .
O1 C1 H1B 110.7 . .
H1A C1 H1B 108.8 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C4 C3 O2 109.2(11) . .
C4 C3 H3A 109.8 . .
O2 C3 H3A 109.8 . .
C4 C3 H3B 109.8 . .
O2 C3 H3B 109.8 . .
H3A C3 H3B 108.3 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6 C5 O3 102.0(15) . .
C6 C5 H5A 111.4 . .
O3 C5 H5A 111.4 . .
C6 C5 H5B 111.4 . .
O3 C5 H5B 111.4 . .
H5A C5 H5B 109.2 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O4 C7 C8 110.9(10) . .
O4 C7 H7A 109.5 . .
C8 C7 H7A 109.5 . .
O4 C7 H7B 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 108.0 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 O5 113.6(13) . .
C10 C9 H9A 108.8 . .
O5 C9 H9A 108.8 . .
C10 C9 H9B 108.8 . .
O5 C9 H9B 108.8 . .
H9A C9 H9B 107.7 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 O6 132(2) . .
C12 C11 H11A 104.3 . .
O6 C11 H11A 104.3 . .
C12 C11 H11B 104.3 . .
O6 C11 H11B 104.3 . .
H11A C11 H11B 105.6 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 O7 109.8(13) . .
C14 C13 H13A 109.7 . .
O7 C13 H13A 109.7 . .
C14 C13 H13B 109.7 . .
O7 C13 H13B 109.7 . .
H13A C13 H13B 108.2 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O8 C15 C16 99.5(19) . .
O8 C15 H15A 111.9 . .
C16 C15 H15A 111.9 . .
O8 C15 H15B 111.9 . .
C16 C15 H15B 111.9 . .
H15A C15 H15B 109.6 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 O9 115(2) . .
C18 C17 H17A 108.6 . .
O9 C17 H17A 108.6 . .
C18 C17 H17B 108.6 . .
O9 C17 H17B 108.6 . .
H17A C17 H17B 107.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O10 C19 C20 112.7(13) . .
O10 C19 H19A 109.1 . .
C20 C19 H19A 109.1 . .
O10 C19 H19B 109.1 . .
C20 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O11 C21 C22 106.6(14) . .
O11 C21 H21A 110.4 . .
C22 C21 H21A 110.4 . .
O11 C21 H21B 110.4 . .
C22 C21 H21B 110.4 . .
H21A C21 H21B 108.6 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O12 C23 C24 109.8(17) . .
O12 C23 H23A 109.7 . .
C24 C23 H23A 109.7 . .
O12 C23 H23B 109.7 . .
C24 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 O13 113.2(16) . .
C26 C25 H25A 108.9 . .
O13 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
O13 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O14 C27 C28 113.3(10) . .
O14 C27 H27A 108.9 . .
C28 C27 H27A 108.9 . .
O14 C27 H27B 108.9 . .
C28 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 O15 112.0(9) . .
C30 C29 H29A 109.2 . .
O15 C29 H29A 109.2 . .
C30 C29 H29B 109.2 . .
O15 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 O16 115.0(12) . .
C32 C31 H31A 108.5 . .
O16 C31 H31A 108.5 . .
C32 C31 H31B 108.5 . .
O16 C31 H31B 108.5 . .
H31A C31 H31B 107.5 . .
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 . .
C34 C33 O17 106.4(16) . .
C34 C33 H33A 110.5 . .
O17 C33 H33A 110.5 . .
C34 C33 H33B 110.5 . .
O17 C33 H33B 110.5 . .
H33A C33 H33B 108.6 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O18 C35 C36 107.1(9) . .
O18 C35 H35A 110.3 . .
C36 C35 H35A 110.3 . .
O18 C35 H35B 110.3 . .
C36 C35 H35B 110.3 . .
H35A C35 H35B 108.6 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 O19 108.7(10) . .
C38 C37 H37A 109.9 . .
O19 C37 H37A 109.9 . .
C38 C37 H37B 109.9 . .
O19 C37 H37B 109.9 . .
H37A C37 H37B 108.3 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C39 O20 111.2(11) . .
C40 C39 H39A 109.4 . .
O20 C39 H39A 109.4 . .
C40 C39 H39B 109.4 . .
O20 C39 H39B 109.4 . .
H39A C39 H39B 108.0 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O21 C41 C42 108.7(10) . .
O21 C41 H41A 110.0 . .
C42 C41 H41A 110.0 . .
O21 C41 H41B 110.0 . .
C42 C41 H41B 110.0 . .
H41A C41 H41B 108.3 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 O22 106.6(11) . .
C44 C43 H43A 110.4 . .
O22 C43 H43A 110.4 . .
C44 C43 H43B 110.4 . .
O22 C43 H43B 110.4 . .
H43A C43 H43B 108.6 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C46 C45 O23 111.7(11) . .
C46 C45 H45A 109.3 . .
O23 C45 H45A 109.3 . .
C46 C45 H45B 109.3 . .
O23 C45 H45B 109.3 . .
H45A C45 H45B 107.9 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 O24 114.7(11) . .
C48 C47 H47A 108.6 . .
O24 C47 H47A 108.6 . .
C48 C47 H47B 108.6 . .
O24 C47 H47B 108.6 . .
H47A C47 H47B 107.6 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S21 2.531(2) .
Ag1 O28 2.568(8) .
Ag1 S14 2.584(2) .
Ag1 S16 2.675(2) .
Ag1 Ag15 3.3176(11) .
Ag1 Ag2 3.3728(12) .
Ag2 O25 2.441(7) .
Ag2 S13 2.494(2) .
Ag2 S22 2.550(3) .
Ag2 S19 2.661(3) .
Ag3 S23 2.485(2) .
Ag3 S17 2.529(3) .
Ag3 S22 2.658(2) .
Ag3 Ag9 3.2139(12) .
Ag4 S5 2.500(2) .
Ag4 S15 2.502(3) .
Ag4 S24 2.526(3) .
Ag4 Ag15 3.0659(11) .
Ag5 S16 2.519(3) .
Ag5 S3 2.554(3) .
Ag5 S6 2.651(3) .
Ag5 S5 2.811(2) .
Ag5 A11B 2.871(3) .
Ag6 S14 2.412(3) .
Ag6 S12 2.452(3) .
Ag6 Ag13 3.1928(12) .
Ag7 O25 2.490(6) .
Ag7 S20 2.516(3) .
Ag7 S10 2.522(3) .
Ag7 S12 2.646(3) .
Ag7 Ag13 3.1865(11) .
Ag7 Ag8 3.2283(13) .
Ag8 S9 2.468(3) .
Ag8 S19 2.487(3) .
Ag8 S17 2.626(3) .
Ag9 O26' 2.42(2) .
Ag9 O26A 2.430(11) .
Ag9 S18 2.498(3) .
Ag9 S24 2.512(3) .
Ag9 S8 2.705(3) .
Ag9 Ag14 3.2389(13) .
Ag10 S8 2.442(3) .
Ag10 S2 2.557(2) .
Ag10 S5 2.608(2) .
Ag10 Ag12 3.0777(14) .
Ag10 A11B 3.235(3) .
A11A S1 2.323(5) .
A11A S3 2.500(5) .
A11B S3 2.582(4) .
A11B S1 2.595(4) .
A11B O27' 2.598(15) .
A11B S5 2.923(4) .
A11B Ag16 3.174(3) .
Ag12 S7 2.534(3) .
Ag12 S10 2.572(3) .
Ag12 S1 2.576(3) .
Ag12 Ag14 3.2946(13) .
Ag13 S20 2.490(3) .
Ag13 S13 2.497(2) .
Ag13 S11 2.500(3) .
Ag14 S9 2.490(3) .
Ag14 S7 2.502(3) .
Ag14 S18 2.507(3) .
Ag15 S15 2.483(2) .
Ag15 S21 2.488(2) .
Ag15 S23 2.504(2) .
Ag16 S4 2.536(3) .
Ag16 S6 2.553(3) .
Ag16 S2 2.563(2) .
Ag16 S4 2.895(3) 2_775
S1 P1 2.011(4) .
S2 P1 1.990(4) .
S3 P2 2.008(3) .
S4 P2 1.967(3) .
S4 Ag16 2.895(3) 2_775
S5 P3 2.012(3) .
S6 P3 1.983(3) .
S7 P4 1.994(4) .
S8 P4 1.994(3) .
S9 P5 2.007(4) .
S10 P5 1.985(3) .
S11 P6 1.967(4) .
S12 P6 2.000(4) .
S13 P7 1.997(3) .
S14 P7 2.010(3) .
S15 P8 2.006(3) .
S16 P8 1.983(3) .
S17 P9 1.985(3) .
S18 P9 1.996(3) .
S19 P10 1.989(4) .
S20 P10 1.999(4) .
S21 P11 1.996(3) .
S22 P11 1.985(3) .
S23 P12 2.011(3) .
S24 P12 1.984(3) .
S25 O27' 1.390(15) .
S25 O25 1.441(6) .
S25 O28 1.454(7) .
S25 O27A 1.457(10) .
S25 O26A 1.503(11) .
S25 O26' 1.53(2) .
P1 O12 1.540(8) .
P1 O11 1.553(7) .
P2 O14 1.568(7) .
P2 O13 1.570(6) .
P3 O19 1.566(6) .
P3 O20 1.582(6) .
P4 O1 1.550(6) .
P4 O2 1.570(6) .
P5 O3 1.555(7) .
P5 O4 1.564(7) .
P6 O9 1.558(7) .
P6 O10 1.593(8) .
P7 O16 1.559(6) .
P7 O15 1.567(6) .
P8 O17 1.562(6) .
P8 O18 1.571(6) .
P9 O6 1.574(8) .
P9 O5 1.577(7) .
P10 O7 1.538(7) .
P10 O8 1.551(9) .
P11 O24 1.570(6) .
P11 O23 1.572(6) .
P12 O22 1.561(6) .
P12 O21 1.570(6) .
P13 F6 1.451(11) .
P13 F5 1.484(11) .
P13 F4 1.499(11) .
P13 F3 1.503(11) .
P13 F2 1.532(11) .
P13 F1 1.537(10) .
P14 F12 1.429(13) .
P14 F10 1.465(12) .
P14 F11 1.473(17) .
P14 F9 1.487(11) .
P14 F8 1.514(10) .
P14 F7 1.561(12) .
O1 C1 1.547(15) .
O2 C3 1.482(13) .
O3 C5 1.575(16) .
O4 C7 1.434(12) .
O5 C9 1.450(13) .
O6 C11 1.34(2) .
O7 C13 1.454(13) .
O8 C15 1.39(2) .
O9 C17 1.44(2) .
O10 C19 1.417(15) .
O11 C21 1.469(9) .
O12 C23 1.37(2) .
O13 C25 1.442(17) .
O14 C27 1.440(12) .
O15 C29 1.472(11) .
O16 C31 1.457(12) .
O17 C33 1.510(13) .
O18 C35 1.437(10) .
O19 C37 1.462(11) .
O20 C39 1.450(12) .
O21 C41 1.430(12) .
O22 C43 1.482(11) .
O23 C45 1.451(11) .
O24 C47 1.409(12) .
C1 C2 1.279(19) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C4 1.416(17) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.487(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.445(15) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.315(17) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.28(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.45(2) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.60(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.32(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.426(18) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.483(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.50(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.36(2) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.467(16) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.431(15) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.297(17) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.29(2) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.457(15) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.455(15) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 C40 1.439(16) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.483(15) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C44 1.454(18) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C46 1.379(15) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C48 1.399(15) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
