#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324706.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_4324706
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 S48 Se2'
_chemical_formula_weight         8762.68
_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                90.164(2)
_cell_angle_beta                 94.972(2)
_cell_angle_gamma                109.426(2)
_cell_formula_units_Z            1
_cell_length_a                   15.7616(12)
_cell_length_b                   19.5255(13)
_cell_length_c                   22.9058(17)
_cell_measurement_reflns_used    8972
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.18
_cell_measurement_theta_min      2.29
_cell_volume                     6619.2(8)
_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 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39321
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         0.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.201
_exptl_absorpt_correction_T_max  0.5965
_exptl_absorpt_correction_T_min  0.5017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_description       block
_exptl_crystal_F_000             4240
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.420
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1312
_refine_ls_number_reflns         23125
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1008P)²+8.6814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1586
_refine_ls_wR_factor_ref         0.1944
_reflns_number_gt                13402
_reflns_number_total             23125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102453q_si_001_2.cif
_cod_data_source_block           2
_cod_database_code               4324706
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 0.40904(6) 0.36549(5) 0.30066(4) 0.0845(3) Uani 1 1 d . . .
Ag2 Ag 0.59736(7) 0.48023(5) 0.24464(5) 0.0900(3) Uani 1 1 d . . .
Ag3 Ag 0.43995(6) 0.32568(5) 0.11288(4) 0.0801(3) Uani 1 1 d . . .
Ag4 Ag 0.31227(7) 0.15803(6) 0.22247(5) 0.0957(3) Uani 1 1 d . . .
Ag5 Ag 0.38753(9) 0.15792(7) 0.38266(6) 0.1217(4) Uani 1 1 d . . .
Ag6 Ag 0.64014(7) 0.37672(6) 0.38697(5) 0.1012(3) Uani 1 1 d . . .
Ag7 Ag 0.79240(7) 0.39980(6) 0.27061(5) 0.0902(3) Uani 1 1 d . . .
Ag8 Ag 0.71742(7) 0.39293(6) 0.13299(5) 0.0984(3) Uani 1 1 d . A .
Ag9 Ag 0.48831(8) 0.17735(6) 0.10746(4) 0.0925(3) Uani 1 1 d . A .
Ag10 Ag 0.54282(7) 0.06155(7) 0.25408(4) 0.1039(4) Uani 1 1 d . . .
A11A Ag 0.6206(3) 0.1917(3) 0.3839(3) 0.1159(15) Uani 0.50 1 d P . .
A11B Ag 0.5775(4) 0.1705(3) 0.3713(3) 0.133(2) Uani 0.50 1 d P A .
Ag12 Ag 0.71662(8) 0.18032(6) 0.22412(5) 0.1031(3) Uani 1 1 d . A .
Ag13 Ag 0.77553(6) 0.52905(5) 0.35059(4) 0.0779(3) Uani 1 1 d . A .
Ag14 Ag 0.70051(7) 0.21805(5) 0.08335(4) 0.0872(3) Uani 1 1 d . . .
Ag15 Ag 0.25340(6) 0.28938(4) 0.18990(4) 0.0715(2) Uani 1 1 d . A .
Ag16 Ag 0.48541(6) 0.01354(5) 0.41714(4) 0.0841(3) Uani 1 1 d . . .
S1 S 0.7137(3) 0.14729(18) 0.33218(15) 0.0961(10) Uani 1 1 d . A .
S2 S 0.5625(2) -0.02367(15) 0.33465(12) 0.0720(7) Uani 1 1 d . . .
S3 S 0.5229(2) 0.23796(16) 0.44776(14) 0.0839(9) Uani 1 1 d . A .
S4 S 0.5883(2) 0.09769(18) 0.49649(14) 0.0845(9) Uani 1 1 d . . .
S5 S 0.40408(18) 0.09451(16) 0.27992(12) 0.0693(7) Uani 1 1 d . . .
S6 S 0.3233(2) 0.01265(18) 0.39895(13) 0.0783(8) Uani 1 1 d . . .
S7 S 0.7404(2) 0.11789(17) 0.13379(14) 0.0788(8) Uani 1 1 d . A .
S8 S 0.5123(2) 0.05447(19) 0.14685(13) 0.0829(9) Uani 1 1 d . A .
S9 S 0.8191(2) 0.34027(17) 0.08783(13) 0.0797(8) Uani 1 1 d . A .
S10 S 0.8481(2) 0.30207(17) 0.23392(13) 0.0813(8) Uani 1 1 d . A .
S11 S 0.8124(3) 0.4901(2) 0.45078(13) 0.0921(10) Uani 1 1 d . . .
S12 S 0.7693(2) 0.33420(18) 0.37244(15) 0.0909(9) Uani 1 1 d . A .
S13 S 0.64598(18) 0.57342(14) 0.32602(11) 0.0648(6) Uani 1 1 d . A .
S14 S 0.51430(18) 0.42127(14) 0.39304(13) 0.0710(7) Uani 1 1 d . A .
S15 S 0.16743(18) 0.17746(14) 0.23894(11) 0.0655(6) Uani 1 1 d . A .
S16 S 0.31461(18) 0.25367(15) 0.36115(13) 0.0704(7) Uani 1 1 d . . .
S17 S 0.5761(2) 0.37210(17) 0.05594(15) 0.0842(9) Uani 1 1 d . A .
S18 S 0.5616(2) 0.19796(15) 0.01392(12) 0.0723(7) Uani 1 1 d . A .
S19 S 0.7204(2) 0.51480(18) 0.16686(14) 0.0817(8) Uani 1 1 d . A .
S20 S 0.88678(19) 0.53146(18) 0.27930(13) 0.0787(8) Uani 1 1 d . A .
S21 S 0.29537(18) 0.40958(14) 0.24249(11) 0.0635(6) Uani 1 1 d . A .
S22 S 0.47619(18) 0.45870(15) 0.15984(13) 0.0698(7) Uani 1 1 d . A .
S23 S 0.27556(18) 0.27639(14) 0.08405(11) 0.0649(6) Uani 1 1 d . A .
S24 S 0.3240(2) 0.12034(17) 0.11857(14) 0.0808(8) Uani 1 1 d . A .
P1 P 0.6904(2) 0.04154(18) 0.34704(14) 0.0750(8) Uani 1 1 d . . .
P2 P 0.53930(19) 0.17534(15) 0.51338(12) 0.0640(7) Uani 1 1 d . . .
P3 P 0.31347(18) 0.00745(15) 0.31246(12) 0.0629(7) Uani 1 1 d . . .
P4 P 0.6206(2) 0.04094(16) 0.11615(12) 0.0665(7) Uani 1 1 d . . .
P5 P 0.89940(19) 0.32967(16) 0.15772(13) 0.0671(7) Uani 1 1 d . . .
P6 P 0.8546(2) 0.41036(19) 0.42669(13) 0.0766(8) Uani 1 1 d . A .
P7 P 0.56972(17) 0.52991(14) 0.39062(11) 0.0580(6) Uani 1 1 d . . .
P8 P 0.18987(16) 0.20738(14) 0.32418(11) 0.0564(6) Uani 1 1 d . . .
P9 P 0.5732(2) 0.29987(15) -0.00617(12) 0.0680(7) Uani 1 1 d . . .
P10 P 0.8423(2) 0.56838(15) 0.20555(13) 0.0715(7) Uani 1 1 d . . .
P11 P 0.36140(17) 0.47008(13) 0.17954(11) 0.0562(6) Uani 1 1 d . . .
P12 P 0.24640(18) 0.16839(15) 0.07438(11) 0.0620(6) Uani 1 1 d . . .
P13 P 0.0825(4) 0.8297(3) 0.0907(3) 0.1370(17) Uani 1 1 d . . .
P14 P 0.8898(3) 0.8184(3) 0.4079(2) 0.1155(13) Uani 1 1 d . . .
F1 F 0.0729(12) 0.8745(8) 0.0390(6) 0.233(7) Uani 1 1 d . . .
F2 F -0.0048(11) 0.7748(9) 0.0706(9) 0.267(9) Uani 1 1 d . . .
F3 F 0.1578(11) 0.8941(8) 0.1163(7) 0.228(7) Uani 1 1 d . . .
F4 F 0.0927(12) 0.7849(9) 0.1466(8) 0.254(8) Uani 1 1 d . . .
F5 F 0.0253(17) 0.8617(12) 0.1211(9) 0.289(10) Uani 1 1 d . . .
F6 F 0.1350(15) 0.7969(12) 0.0585(9) 0.292(11) Uani 1 1 d . . .
F7 F 0.9409(10) 0.8096(11) 0.4653(6) 0.226(7) Uani 1 1 d . . .
F8 F 0.8117(8) 0.8108(10) 0.4468(6) 0.215(6) Uani 1 1 d . . .
F9 F 0.8606(14) 0.7390(8) 0.3955(7) 0.250(8) Uani 1 1 d . . .
F10 F 0.9672(10) 0.8201(11) 0.3738(7) 0.242(8) Uani 1 1 d . . .
F11 F 0.9143(17) 0.8954(7) 0.4206(9) 0.319(12) Uani 1 1 d . . .
F12 F 0.8356(15) 0.8233(13) 0.3510(6) 0.291(11) Uani 1 1 d . . .
Se1 Se 0.55725(6) 0.28583(5) 0.24039(4) 0.0537(2) Uani 1 1 d . . .
O1 O 0.9425(6) 0.4362(6) 0.3939(4) 0.106(3) Uani 1 1 d . . .
O2 O 0.8782(8) 0.3779(7) 0.4852(4) 0.132(4) Uani 1 1 d . . .
O3 O 0.9173(5) 0.5714(5) 0.1644(4) 0.096(3) Uani 1 1 d . A .
O4 O 0.8349(10) 0.6443(5) 0.2151(5) 0.149(5) Uani 1 1 d D A .
O5 O 0.9746(5) 0.4055(4) 0.1631(4) 0.088(2) Uani 1 1 d . A .
O6 O 0.9413(6) 0.2699(5) 0.1453(4) 0.094(2) Uani 1 1 d . A .
O7 O 0.4900(8) 0.2892(5) -0.0539(4) 0.111(3) Uani 1 1 d D A .
O8 O 0.6627(6) 0.3357(4) -0.0365(4) 0.093(3) Uani 1 1 d . A .
O9 O 0.5922(5) 0.0291(4) 0.0496(3) 0.083(2) Uani 1 1 d . A .
O10 O 0.6345(5) -0.0295(4) 0.1417(4) 0.085(2) Uani 1 1 d . A .
O11 O 0.2488(5) 0.1480(5) 0.0086(3) 0.086(2) Uani 1 1 d . A .
O12 O 0.1469(5) 0.1360(4) 0.0891(3) 0.0749(19) Uani 1 1 d . A .
O13 O 0.3246(5) -0.0648(4) 0.2921(4) 0.080(2) Uani 1 1 d . . .
O14 O 0.2186(4) 0.0068(4) 0.2849(3) 0.077(2) Uani 1 1 d . . .
O15 O 0.6031(6) 0.2301(4) 0.5612(4) 0.091(2) Uani 1 1 d . . .
O16 O 0.4473(6) 0.1367(5) 0.5409(4) 0.095(2) Uani 1 1 d . . .
O17 O 0.6240(5) 0.5528(4) 0.4519(3) 0.0701(18) Uani 1 1 d . A .
O18 O 0.4946(5) 0.5656(4) 0.3860(3) 0.0748(19) Uani 1 1 d . A .
O19 O 0.3759(5) 0.5522(4) 0.1930(3) 0.075(2) Uani 1 1 d . A .
O20 O 0.2916(5) 0.4533(4) 0.1242(3) 0.0661(17) Uani 1 1 d D A .
O21 O 0.1407(5) 0.1354(4) 0.3543(3) 0.0717(19) Uani 1 1 d . . .
O22 O 0.1414(5) 0.2635(4) 0.3384(3) 0.080(2) Uani 1 1 d . . .
O23 O 0.7240(6) 0.0310(6) 0.4113(4) 0.110(3) Uani 1 1 d . . .
O24 O 0.7486(7) 0.0196(7) 0.3043(5) 0.137(4) Uani 1 1 d . A .
O25A O 0.6318(12) 0.3647(9) 0.2298(7) 0.064(4) Uani 0.50 1 d P A 1
O26A O 0.5836(10) 0.2281(11) 0.1989(7) 0.085(5) Uani 0.50 1 d P A 1
O27A O 0.5607(10) 0.2645(8) 0.3094(6) 0.073(4) Uani 0.50 1 d P A 1
O28A O 0.458(2) 0.2850(19) 0.2156(14) 0.153(16) Uani 0.50 1 d P A 1
O25B O 0.6224(14) 0.3654(10) 0.2660(9) 0.088(6) Uani 0.50 1 d P A 2
O26B O 0.5738(16) 0.2861(12) 0.1690(9) 0.139(9) Uani 0.50 1 d P A 2
O27B O 0.5859(11) 0.2227(8) 0.2679(8) 0.094(6) Uani 0.50 1 d P A 2
O28B O 0.4563(14) 0.2826(10) 0.2374(13) 0.094(10) Uani 0.50 1 d P A 2
C1 C 1.0210(10) 0.4943(12) 0.4153(8) 0.150(7) Uani 1 1 d . A .
H1A H 1.0401 0.4856 0.4552 0.180 Uiso 1 1 calc R . .
H1B H 1.0081 0.5395 0.4153 0.180 Uiso 1 1 calc R . .
C2 C 1.0923(11) 0.4989(16) 0.3773(9) 0.223(14) Uani 1 1 d . . .
H2A H 1.1455 0.5387 0.3906 0.334 Uiso 1 1 calc R A .
H2B H 1.0723 0.5066 0.3378 0.334 Uiso 1 1 calc R . .
H2C H 1.1058 0.4544 0.3784 0.334 Uiso 1 1 calc R . .
C3 C 0.894(2) 0.3077(16) 0.4891(13) 0.225(12) Uiso 1 1 d . A .
H3A H 0.8364 0.2687 0.4867 0.270 Uiso 1 1 calc R . .
H3B H 0.9258 0.3016 0.4561 0.270 Uiso 1 1 calc R . .
C4 C 0.944(3) 0.3028(19) 0.5410(14) 0.35(3) Uani 1 1 d . . .
H4A H 0.9534 0.2566 0.5416 0.518 Uiso 1 1 calc R A .
H4B H 0.9127 0.3077 0.5738 0.518 Uiso 1 1 calc R . .
H4C H 1.0021 0.3409 0.5433 0.518 Uiso 1 1 calc R . .
C5 C 0.9139(13) 0.5955(10) 0.1049(7) 0.135(6) Uani 1 1 d . . .
H5A H 0.8533 0.5734 0.0858 0.162 Uiso 1 1 calc R A .
H5B H 0.9282 0.6478 0.1053 0.162 Uiso 1 1 calc R . .
C6 C 0.9737(15) 0.5770(14) 0.0742(8) 0.187(10) Uani 1 1 d . A .
H6A H 0.9717 0.5944 0.0352 0.280 Uiso 1 1 calc R . .
H6B H 0.9581 0.5251 0.0726 0.280 Uiso 1 1 calc R . .
H6C H 1.0336 0.5984 0.0934 0.280 Uiso 1 1 calc R . .
C7 C 0.8993(17) 0.7064(13) 0.2473(12) 0.217(11) Uiso 1 1 d D . .
H7A H 0.9603 0.7152 0.2368 0.261 Uiso 1 1 calc R A .
H7B H 0.8980 0.7014 0.2893 0.261 Uiso 1 1 calc R . .
C8 C 0.860(3) 0.7673(15) 0.2244(15) 0.36(3) Uani 1 1 d . A .
H8A H 0.8958 0.8131 0.2432 0.543 Uiso 1 1 calc R . .
H8B H 0.7988 0.7551 0.2333 0.543 Uiso 1 1 calc R . .
H8C H 0.8630 0.7707 0.1827 0.543 Uiso 1 1 calc R . .
C9 C 1.0488(9) 0.4235(8) 0.2088(7) 0.116(5) Uani 1 1 d . . .
H9A H 1.0831 0.3909 0.2056 0.139 Uiso 1 1 calc R A .
H9B H 1.0255 0.4181 0.2469 0.139 Uiso 1 1 calc R . .
C10 C 1.1079(10) 0.4993(9) 0.2027(8) 0.135(6) Uani 1 1 d . A .
H10A H 1.1567 0.5117 0.2332 0.202 Uiso 1 1 calc R . .
H10B H 1.0735 0.5314 0.2057 0.202 Uiso 1 1 calc R . .
H10C H 1.1318 0.5041 0.1652 0.202 Uiso 1 1 calc R . .
C11 C 0.9686(14) 0.2437(13) 0.0896(8) 0.168(8) Uani 1 1 d D . .
H11A H 0.9761 0.1969 0.0956 0.201 Uiso 1 1 calc R A .
H11B H 0.9217 0.2382 0.0579 0.201 Uiso 1 1 calc R . .
C12 C 1.0519(17) 0.2956(14) 0.0746(13) 0.235(13) Uiso 1 1 d D A .
H12A H 1.0642 0.2832 0.0364 0.352 Uiso 1 1 calc R . .
H12B H 1.1002 0.2949 0.1029 0.352 Uiso 1 1 calc R . .
H12C H 1.0470 0.3433 0.0745 0.352 Uiso 1 1 calc R . .
C13 C 0.4535(16) 0.3429(11) -0.0707(10) 0.202(12) Uani 1 1 d D . .
H13A H 0.4991 0.3804 -0.0893 0.242 Uiso 1 1 calc R A .
H13B H 0.4421 0.3646 -0.0354 0.242 Uiso 1 1 calc R . .
C14 C 0.3730(15) 0.3218(13) -0.1089(12) 0.212(12) Uani 1 1 d D A .
H14A H 0.3558 0.3636 -0.1178 0.317 Uiso 1 1 calc R . .
H14B H 0.3257 0.2868 -0.0904 0.317 Uiso 1 1 calc R . .
H14C H 0.3829 0.3007 -0.1445 0.317 Uiso 1 1 calc R . .
C15 C 0.6957(14) 0.2952(9) -0.0791(8) 0.142(7) Uani 1 1 d . . .
H15A H 0.7147 0.2588 -0.0584 0.170 Uiso 1 1 calc R A .
H15B H 0.6458 0.2699 -0.1076 0.170 Uiso 1 1 calc R . .
C16 C 0.7633(13) 0.3357(12) -0.1074(9) 0.174(9) Uani 1 1 d . A .
H16A H 0.7797 0.3055 -0.1344 0.260 Uiso 1 1 calc R . .
H16B H 0.8143 0.3593 -0.0798 0.260 Uiso 1 1 calc R . .
H16C H 0.7452 0.3716 -0.1287 0.260 Uiso 1 1 calc R . .
C17 C 0.6510(15) 0.0050(13) 0.0073(7) 0.147(7) Uani 1 1 d . . .
H17A H 0.7048 0.0006 0.0287 0.176 Uiso 1 1 calc R A .
H17B H 0.6168 -0.0412 -0.0124 0.176 Uiso 1 1 calc R . .
C18 C 0.6720(16) 0.0562(12) -0.0297(11) 0.172(9) Uani 1 1 d . A .
H18A H 0.7092 0.0457 -0.0572 0.258 Uiso 1 1 calc R . .
H18B H 0.7046 0.1015 -0.0092 0.258 Uiso 1 1 calc R . .
H18C H 0.6180 0.0595 -0.0504 0.258 Uiso 1 1 calc R . .
C19 C 0.5627(11) -0.1005(8) 0.1323(9) 0.144(7) Uani 1 1 d . . .
H19A H 0.5043 -0.0943 0.1332 0.173 Uiso 1 1 calc R A .
H19B H 0.5650 -0.1209 0.0940 0.173 Uiso 1 1 calc R . .
C20 C 0.5732(13) -0.1487(9) 0.1762(8) 0.141(6) Uani 1 1 d . A .
H20A H 0.5264 -0.1950 0.1691 0.211 Uiso 1 1 calc R . .
H20B H 0.5692 -0.1292 0.2140 0.211 Uiso 1 1 calc R . .
H20C H 0.6311 -0.1547 0.1753 0.211 Uiso 1 1 calc R . .
C21 C 0.1895(10) 0.1623(9) -0.0384(6) 0.106(4) Uani 1 1 d . . .
H21A H 0.1273 0.1432 -0.0290 0.127 Uiso 1 1 calc R A .
H21B H 0.2050 0.2143 -0.0430 0.127 Uiso 1 1 calc R . .
C22 C 0.1992(11) 0.1281(10) -0.0927(6) 0.129(6) Uani 1 1 d . A .
H22A H 0.1594 0.1369 -0.1237 0.194 Uiso 1 1 calc R . .
H22B H 0.1840 0.0767 -0.0879 0.194 Uiso 1 1 calc R . .
H22C H 0.2605 0.1481 -0.1024 0.194 Uiso 1 1 calc R . .
C23 C 0.0991(10) 0.0566(7) 0.0924(8) 0.116(5) Uani 1 1 d . . .
H23A H 0.1023 0.0321 0.0562 0.139 Uiso 1 1 calc R A .
H23B H 0.1276 0.0372 0.1244 0.139 Uiso 1 1 calc R . .
C24 C 0.0085(10) 0.0447(10) 0.1015(11) 0.182(10) Uani 1 1 d . A .
H24A H -0.0227 -0.0065 0.1038 0.273 Uiso 1 1 calc R . .
H24B H -0.0195 0.0635 0.0695 0.273 Uiso 1 1 calc R . .
H24C H 0.0057 0.0689 0.1375 0.273 Uiso 1 1 calc R . .
C25 C 0.3123(11) -0.0844(7) 0.2287(7) 0.112(5) Uani 1 1 d . . .
H25A H 0.2511 -0.0892 0.2134 0.134 Uiso 1 1 calc R A .
H25B H 0.3535 -0.0457 0.2082 0.134 Uiso 1 1 calc R . .
C26 C 0.3280(17) -0.1498(11) 0.2177(9) 0.181(10) Uani 1 1 d . A .
H26A H 0.3195 -0.1607 0.1763 0.271 Uiso 1 1 calc R . .
H26B H 0.2864 -0.1885 0.2372 0.271 Uiso 1 1 calc R . .
H26C H 0.3888 -0.1451 0.2322 0.271 Uiso 1 1 calc R . .
C27 C 0.1370(8) -0.0459(8) 0.3019(7) 0.113(5) Uani 1 1 d . . .
H27A H 0.1287 -0.0364 0.3422 0.136 Uiso 1 1 calc R A .
H27B H 0.1405 -0.0944 0.2987 0.136 Uiso 1 1 calc R . .
C28 C 0.0603(9) -0.0403(10) 0.2622(9) 0.151(7) Uani 1 1 d . A .
H28A H 0.0049 -0.0745 0.2730 0.226 Uiso 1 1 calc R . .
H28B H 0.0685 -0.0507 0.2225 0.226 Uiso 1 1 calc R . .
H28C H 0.0577 0.0080 0.2653 0.226 Uiso 1 1 calc R . .
C29 C 0.6514(18) 0.2076(11) 0.6126(9) 0.202(12) Uani 1 1 d . . .
H29A H 0.6094 0.1903 0.6422 0.243 Uiso 1 1 calc R A .
H29B H 0.6692 0.1673 0.6003 0.243 Uiso 1 1 calc R . .
C30 C 0.7271(18) 0.2616(14) 0.6379(12) 0.234(14) Uani 1 1 d . A .
H30A H 0.7539 0.2424 0.6704 0.351 Uiso 1 1 calc R . .
H30B H 0.7101 0.3012 0.6516 0.351 Uiso 1 1 calc R . .
H30C H 0.7699 0.2785 0.6094 0.351 Uiso 1 1 calc R . .
C31 C 0.3827(10) 0.1730(10) 0.5556(7) 0.119(5) Uani 1 1 d . . .
H31A H 0.3795 0.2069 0.5253 0.142 Uiso 1 1 calc R A .
H31B H 0.3232 0.1368 0.5558 0.142 Uiso 1 1 calc R . .
C32 C 0.4064(12) 0.2103(9) 0.6099(8) 0.126(5) Uani 1 1 d . A .
H32A H 0.3620 0.2324 0.6173 0.188 Uiso 1 1 calc R . .
H32B H 0.4645 0.2473 0.6096 0.188 Uiso 1 1 calc R . .
H32C H 0.4088 0.1769 0.6402 0.188 Uiso 1 1 calc R . .
C33 C 0.6768(10) 0.6302(6) 0.4667(6) 0.104(4) Uani 1 1 d . . .
H33A H 0.7069 0.6530 0.4331 0.124 Uiso 1 1 calc R A .
H33B H 0.6368 0.6558 0.4771 0.124 Uiso 1 1 calc R . .
C34 C 0.7430(12) 0.6338(8) 0.5155(7) 0.136(6) Uani 1 1 d . A .
H34A H 0.7772 0.6837 0.5255 0.203 Uiso 1 1 calc R . .
H34B H 0.7829 0.6089 0.5047 0.203 Uiso 1 1 calc R . .
H34C H 0.7128 0.6111 0.5486 0.203 Uiso 1 1 calc R . .
C35 C 0.4280(12) 0.5496(11) 0.4278(7) 0.135(7) Uani 1 1 d . . .
H35A H 0.4047 0.4973 0.4318 0.162 Uiso 1 1 calc R A .
H35B H 0.4578 0.5708 0.4656 0.162 Uiso 1 1 calc R . .
C36 C 0.3595(13) 0.5724(14) 0.4155(10) 0.202(12) Uani 1 1 d . A .
H36A H 0.3188 0.5583 0.4455 0.302 Uiso 1 1 calc R . .
H36B H 0.3285 0.5513 0.3784 0.302 Uiso 1 1 calc R . .
H36C H 0.3810 0.6244 0.4134 0.302 Uiso 1 1 calc R . .
C37 C 0.4302(11) 0.5911(7) 0.2420(6) 0.106(4) Uani 1 1 d . . .
H37A H 0.4922 0.5945 0.2381 0.127 Uiso 1 1 calc R A .
H37B H 0.4116 0.5639 0.2767 0.127 Uiso 1 1 calc R . .
C38 C 0.4272(16) 0.6631(8) 0.2506(8) 0.175(10) Uani 1 1 d . A .
H38A H 0.4661 0.6858 0.2849 0.262 Uiso 1 1 calc R . .
H38B H 0.3664 0.6605 0.2557 0.262 Uiso 1 1 calc R . .
H38C H 0.4472 0.6912 0.2170 0.262 Uiso 1 1 calc R . .
C39 C 0.3160(10) 0.4859(8) 0.0683(5) 0.107(5) Uani 1 1 d D . .
H39A H 0.3299 0.5380 0.0719 0.128 Uiso 1 1 calc R A .
H39B H 0.3694 0.4766 0.0574 0.128 Uiso 1 1 calc R . .
C40 C 0.2432(16) 0.4559(11) 0.0244(8) 0.240(17) Uani 1 1 d D A .
H40A H 0.2594 0.4775 -0.0123 0.360 Uiso 1 1 calc R . .
H40B H 0.1907 0.4656 0.0353 0.360 Uiso 1 1 calc R . .
H40C H 0.2302 0.4044 0.0208 0.360 Uiso 1 1 calc R . .
C41 C 0.1372(10) 0.1315(7) 0.4168(5) 0.101(4) Uani 1 1 d . . .
H41A H 0.1241 0.1728 0.4323 0.122 Uiso 1 1 calc R A .
H41B H 0.1943 0.1309 0.4360 0.122 Uiso 1 1 calc R . .
C42 C 0.0637(15) 0.0628(9) 0.4263(8) 0.164(9) Uani 1 1 d . A .
H42A H 0.0578 0.0572 0.4675 0.246 Uiso 1 1 calc R . .
H42B H 0.0778 0.0225 0.4107 0.246 Uiso 1 1 calc R . .
H42C H 0.0079 0.0641 0.4067 0.246 Uiso 1 1 calc R . .
C43 C 0.0469(11) 0.2520(11) 0.3131(7) 0.129(6) Uani 1 1 d . . .
H43A H 0.0454 0.2921 0.2886 0.154 Uiso 1 1 calc R A .
H43B H 0.0243 0.2075 0.2891 0.154 Uiso 1 1 calc R . .
C44 C -0.004(2) 0.2477(17) 0.3566(14) 0.255(15) Uiso 1 1 d . A .
H44A H -0.0647 0.2409 0.3411 0.382 Uiso 1 1 calc R . .
H44B H 0.0192 0.2917 0.3803 0.382 Uiso 1 1 calc R . .
H44C H -0.0029 0.2073 0.3801 0.382 Uiso 1 1 calc R . .
C45 C 0.8086(15) 0.0691(15) 0.4309(10) 0.192(10) Uani 1 1 d D . .
H45A H 0.8186 0.1201 0.4243 0.230 Uiso 1 1 calc R A .
H45B H 0.8492 0.0545 0.4081 0.230 Uiso 1 1 calc R . .
C46 C 0.8316(17) 0.061(2) 0.4919(10) 0.27(2) Uani 1 1 d D A .
H46A H 0.8935 0.0898 0.5025 0.412 Uiso 1 1 calc R . .
H46B H 0.8234 0.0108 0.4989 0.412 Uiso 1 1 calc R . .
H46C H 0.7932 0.0767 0.5151 0.412 Uiso 1 1 calc R . .
C47 C 0.766(2) -0.0412(17) 0.2972(13) 0.105(9) Uani 0.50 1 d P A 1
H47A H 0.7096 -0.0809 0.2877 0.126 Uiso 0.50 1 calc PR A 1
H47B H 0.7948 -0.0519 0.3335 0.126 Uiso 0.50 1 calc PR A 1
C47' C 0.860(5) 0.034(4) 0.266(4) 0.32(4) Uiso 0.50 1 d P A 2
H47C H 0.8672 0.0668 0.2334 0.378 Uiso 0.50 1 calc PR A 2
H47D H 0.9142 0.0463 0.2926 0.378 Uiso 0.50 1 calc PR A 2
C48 C 0.8240(15) -0.0347(13) 0.2507(10) 0.169(8) Uiso 1 1 d . . .
H48A H 0.8416 -0.0772 0.2489 0.253 Uiso 1 1 calc R A 1
H48B H 0.8769 0.0075 0.2583 0.253 Uiso 1 1 calc R A 1
H48C H 0.7923 -0.0302 0.2140 0.253 Uiso 1 1 calc R A 1
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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O28' Ag1 S21 109.6(6) . .
O28' Ag1 S14 116.7(6) . .
S21 Ag1 S14 130.04(10) . .
O28' Ag1 S16 91.1(6) . .
S21 Ag1 S16 106.45(9) . .
S14 Ag1 S16 90.74(9) . .
O28' Ag1 Ag15 67.9(5) . .
S21 Ag1 Ag15 47.90(7) . .
S14 Ag1 Ag15 173.67(8) . .
S16 Ag1 Ag15 84.71(6) . .
O25' Ag2 S13 115.5(5) . .
O25' Ag2 O25 19.8(4) . .
S13 Ag2 O25 131.3(4) . .
O25' Ag2 S22 108.8(4) . .
S13 Ag2 S22 131.07(10) . .
O25 Ag2 S22 96.9(4) . .
O25' Ag2 S19 92.6(6) . .
S13 Ag2 S19 108.83(10) . .
O25 Ag2 S19 76.2(4) . .
S22 Ag2 S19 88.26(10) . .
S23 Ag3 O28 104.7(7) . .
S23 Ag3 S17 133.41(11) . .
O28 Ag3 S17 119.6(7) . .
S23 Ag3 S22 107.52(9) . .
O28 Ag3 S22 86.7(9) . .
S17 Ag3 S22 89.81(9) . .
S23 Ag3 Ag9 99.70(7) . .
O28 Ag3 Ag9 71.6(9) . .
S17 Ag3 Ag9 82.17(8) . .
S22 Ag3 Ag9 148.79(7) . .
S15 Ag4 S5 132.26(9) . .
S15 Ag4 S24 114.87(10) . .
S5 Ag4 S24 101.41(10) . .
S15 Ag4 Ag15 51.72(6) . .
S5 Ag4 Ag15 154.49(9) . .
S24 Ag4 Ag15 96.13(8) . .
S16 Ag5 S3 96.80(10) . .
S16 Ag5 S6 134.23(10) . .
S3 Ag5 S6 119.83(10) . .
S16 Ag5 S5 109.50(10) . .
S3 Ag5 S5 122.60(12) . .
S6 Ag5 S5 74.61(9) . .
S16 Ag5 A11B 127.18(14) . .
S3 Ag5 A11B 54.89(15) . .
S6 Ag5 A11B 97.45(13) . .
S5 Ag5 A11B 68.78(14) . .
S14 Ag6 S12 175.40(12) . .
S14 Ag6 Ag13 94.32(7) . .
S12 Ag6 Ag13 83.23(8) . .
O25 Ag7 S20 119.2(4) . .
O25 Ag7 S10 105.3(4) . .
S20 Ag7 S10 123.41(11) . .
O25 Ag7 O25' 19.6(4) . .
S20 Ag7 O25' 118.8(4) . .
S10 Ag7 O25' 114.8(4) . .
O25 Ag7 S12 99.2(4) . .
S20 Ag7 S12 114.28(10) . .
S10 Ag7 S12 89.04(11) . .
O25' Ag7 S12 82.2(5) . .
O25 Ag7 Ag13 92.3(4) . .
S20 Ag7 Ag13 49.76(7) . .
S10 Ag7 Ag13 160.78(9) . .
O25' Ag7 Ag13 79.8(4) . .
S12 Ag7 Ag13 80.34(8) . .
O25 Ag7 Ag8 53.2(4) . .
S20 Ag7 Ag8 98.50(8) . .
S10 Ag7 Ag8 80.93(8) . .
O25' Ag7 Ag8 72.6(5) . .
S12 Ag7 Ag8 145.60(8) . .
Ag13 Ag7 Ag8 116.62(4) . .
S9 Ag8 S19 137.57(11) . .
S9 Ag8 S17 106.37(10) . .
S19 Ag8 S17 94.40(10) . .
S9 Ag8 Ag7 100.74(8) . .
S19 Ag8 Ag7 77.37(8) . .
S17 Ag8 Ag7 146.97(8) . .
O26' Ag9 O26 32.3(7) . .
O26' Ag9 S18 104.0(4) . .
O26 Ag9 S18 117.8(4) . .
O26' Ag9 S24 118.0(6) . .
O26 Ag9 S24 115.1(4) . .
S18 Ag9 S24 126.84(11) . .
O26' Ag9 S8 113.5(7) . .
O26 Ag9 S8 81.5(4) . .
S18 Ag9 S8 103.99(10) . .
S24 Ag9 S8 88.37(10) . .
O26' Ag9 Ag3 54.7(7) . .
O26 Ag9 Ag3 83.6(4) . .
S18 Ag9 Ag3 98.04(7) . .
S24 Ag9 Ag3 82.60(8) . .
S8 Ag9 Ag3 157.32(8) . .
O26' Ag9 Ag14 73.0(6) . .
O26 Ag9 Ag14 71.0(4) . .
S18 Ag9 Ag14 49.44(7) . .
S24 Ag9 Ag14 167.99(8) . .
S8 Ag9 Ag14 82.30(7) . .
Ag3 Ag9 Ag14 108.79(4) . .
S8 Ag10 S2 136.74(12) . .
S8 Ag10 S5 98.37(10) . .
S2 Ag10 S5 103.99(9) . .
S8 Ag10 Ag12 81.50(9) . .
S2 Ag10 Ag12 115.90(8) . .
S5 Ag10 Ag12 120.79(8) . .
S8 Ag10 A11B 143.53(14) . .
S2 Ag10 A11B 79.73(12) . .
S5 Ag10 A11B 64.71(12) . .
Ag12 Ag10 A11B 80.90(11) . .
A11B A11A S1 101.4(11) . .
A11B A11A O27 70.0(10) . .
S1 A11A O27 104.1(5) . .
A11B A11A S3 80.7(10) . .
S1 A11A S3 175.9(3) . .
O27 A11A S3 79.9(4) . .
A11A A11B O27 94.0(11) . .
A11A A11B S3 83.6(10) . .
O27 A11B S3 83.1(4) . .
A11A A11B S1 63.0(10) . .
O27 A11B S1 101.6(4) . .
S3 A11B S1 146.4(3) . .
A11A A11B O27' 99.0(11) . .
O27 A11B O27' 32.9(5) . .
S3 A11B O27' 115.9(5) . .
S1 A11B O27' 75.2(5) . .
A11A A11B Ag5 137.5(11) . .
O27 A11B Ag5 78.4(4) . .
S3 A11B Ag5 54.18(13) . .
S1 A11B Ag5 159.4(3) . .
O27' A11B Ag5 96.5(4) . .
A11A A11B Ag16 119.3(11) . .
O27 A11B Ag16 146.5(4) . .
S3 A11B Ag16 96.25(19) . .
S1 A11B Ag16 97.20(18) . .
O27' A11B Ag16 132.7(4) . .
Ag5 A11B Ag16 74.36(13) . .
A11A A11B Ag10 123.8(11) . .
O27 A11B Ag10 89.5(4) . .
S3 A11B Ag10 152.2(2) . .
S1 A11B Ag10 61.34(15) . .
O27' A11B Ag10 59.7(4) . .
Ag5 A11B Ag10 98.14(17) . .
Ag16 A11B Ag10 75.55(12) . .
S7 Ag12 S1 132.79(12) . .
S7 Ag12 S10 104.87(10) . .
S1 Ag12 S10 99.19(11) . .
S7 Ag12 O26 108.3(3) . .
S1 Ag12 O26 107.0(4) . .
S10 Ag12 O26 99.5(4) . .
S7 Ag12 Ag10 97.17(8) . .
S1 Ag12 Ag10 65.17(9) . .
S10 Ag12 Ag10 157.95(8) . .
O26 Ag12 Ag10 72.5(5) . .
S7 Ag12 Ag14 48.44(7) . .
S1 Ag12 Ag14 174.89(10) . .
S10 Ag12 Ag14 84.63(8) . .
O26 Ag12 Ag14 68.9(4) . .
Ag10 Ag12 Ag14 110.20(4) . .
S20 Ag13 S13 122.08(10) . .
S20 Ag13 S11 114.69(11) . .
S13 Ag13 S11 122.99(11) . .
S20 Ag13 Ag6 119.56(9) . .
S13 Ag13 Ag6 90.41(7) . .
S11 Ag13 Ag6 65.03(10) . .
S20 Ag13 Ag7 50.18(8) . .
S13 Ag13 Ag7 118.34(7) . .
S11 Ag13 Ag7 100.93(8) . .
Ag6 Ag13 Ag7 69.93(3) . .
S9 Ag14 S7 117.30(11) . .
S9 Ag14 S18 117.89(10) . .
S7 Ag14 S18 123.77(10) . .
S9 Ag14 Ag9 127.98(8) . .
S7 Ag14 Ag9 101.35(8) . .
S18 Ag14 Ag9 48.99(7) . .
S9 Ag14 Ag12 98.65(8) . .
S7 Ag14 Ag12 48.81(8) . .
S18 Ag14 Ag12 129.11(8) . .
Ag9 Ag14 Ag12 81.00(4) . .
S15 Ag15 S21 119.56(9) . .
S15 Ag15 S23 117.11(9) . .
S21 Ag15 S23 122.83(9) . .
S15 Ag15 Ag4 51.96(7) . .
S21 Ag15 Ag4 128.78(7) . .
S23 Ag15 Ag4 92.25(7) . .
S15 Ag15 Ag1 98.31(7) . .
S21 Ag15 Ag1 48.59(6) . .
S23 Ag15 Ag1 128.37(7) . .
Ag4 Ag15 Ag1 80.78(3) . .
S4 Ag16 S6 118.53(11) . .
S4 Ag16 S2 116.19(11) . .
S6 Ag16 S2 120.31(10) . .
S4 Ag16 S4 91.11(11) . 2_656
S6 Ag16 S4 84.48(9) . 2_656
S2 Ag16 S4 116.57(9) . 2_656
S4 Ag16 A11B 68.22(14) . .
S6 Ag16 A11B 96.36(13) . .
S2 Ag16 A11B 82.90(12) . .
S4 Ag16 A11B 157.00(13) 2_656 .
P1 S1 A11A 110.8(2) . .
P1 S1 Ag12 115.03(18) . .
A11A S1 Ag12 114.3(2) . .
P1 S1 A11B 103.1(2) . .
A11A S1 A11B 15.6(2) . .
Ag12 S1 A11B 108.0(2) . .
P1 S2 Ag10 86.39(13) . .
P1 S2 Ag16 104.42(15) . .
Ag10 S2 Ag16 101.49(10) . .
P2 S3 Ag5 104.93(14) . .
P2 S3 A11B 94.6(2) . .
Ag5 S3 A11B 70.93(16) . .
P2 S3 A11A 91.8(2) . .
Ag5 S3 A11A 86.62(16) . .
A11B S3 A11A 15.73(18) . .
P2 S4 Ag16 108.89(16) . .
P2 S4 Ag16 104.31(16) . 2_656
Ag16 S4 Ag16 88.89(11) . 2_656
P3 S5 Ag4 105.32(14) . .
P3 S5 Ag10 109.66(14) . .
Ag4 S5 Ag10 130.75(11) . .
P3 S5 Ag5 81.85(12) . .
Ag4 S5 Ag5 91.83(10) . .
Ag10 S5 Ag5 126.17(11) . .
P3 S6 Ag16 97.89(14) . .
P3 S6 Ag5 82.93(13) . .
Ag16 S6 Ag5 89.11(10) . .
P4 S7 Ag14 96.74(14) . .
P4 S7 Ag12 102.05(15) . .
Ag14 S7 Ag12 82.74(10) . .
P4 S8 Ag10 105.52(16) . .
P4 S8 Ag9 110.97(15) . .
Ag10 S8 Ag9 110.60(13) . .
P5 S9 Ag8 101.94(15) . .
P5 S9 Ag14 100.12(15) . .
Ag8 S9 Ag14 90.34(11) . .
P5 S10 Ag7 109.70(16) . .
P5 S10 Ag12 111.34(16) . .
Ag7 S10 Ag12 109.29(12) . .
P6 S11 Ag13 97.88(15) . .
P6 S12 Ag6 93.22(16) . .
P6 S12 Ag7 101.14(16) . .
Ag6 S12 Ag7 90.92(13) . .
P7 S13 Ag2 105.51(13) . .
P7 S13 Ag13 99.86(13) . .
Ag2 S13 Ag13 86.83(9) . .
P7 S14 Ag6 104.59(13) . .
P7 S14 Ag1 112.68(14) . .
Ag6 S14 Ag1 103.65(12) . .
P8 S15 Ag15 103.50(13) . .
P8 S15 Ag4 100.63(13) . .
Ag15 S15 Ag4 76.31(8) . .
P8 S16 Ag5 109.83(14) . .
P8 S16 Ag1 111.96(14) . .
Ag5 S16 Ag1 115.45(11) . .
P9 S17 Ag3 110.58(15) . .
P9 S17 Ag8 110.62(16) . .
Ag3 S17 Ag8 105.80(13) . .
P9 S18 Ag9 105.16(15) . .
P9 S18 Ag14 101.18(14) . .
Ag9 S18 Ag14 81.58(9) . .
P10 S19 Ag8 108.81(16) . .
P10 S19 Ag2 111.01(16) . .
Ag8 S19 Ag2 101.68(12) . .
P10 S20 Ag13 105.31(16) . .
P10 S20 Ag7 101.03(14) . .
Ag13 S20 Ag7 80.06(9) . .
P11 S21 Ag15 97.26(12) . .
P11 S21 Ag1 105.92(13) . .
Ag15 S21 Ag1 83.51(8) . .
P11 S22 Ag2 115.28(14) . .
P11 S22 Ag3 108.64(13) . .
Ag2 S22 Ag3 109.47(11) . .
P12 S23 Ag3 105.41(14) . .
P12 S23 Ag15 101.61(13) . .
Ag3 S23 Ag15 87.20(9) . .
P12 S24 Ag9 114.01(16) . .
P12 S24 Ag4 100.36(14) . .
Ag9 S24 Ag4 102.60(12) . .
O24 P1 O23 109.4(6) . .
O24 P1 S2 110.5(5) . .
O23 P1 S2 106.1(4) . .
O24 P1 S1 103.6(5) . .
O23 P1 S1 110.8(4) . .
S2 P1 S1 116.5(2) . .
O15 P2 O16 107.1(5) . .
O15 P2 S4 110.3(4) . .
O16 P2 S4 105.8(4) . .
O15 P2 S3 104.1(4) . .
O16 P2 S3 111.4(4) . .
S4 P2 S3 117.8(2) . .
O13 P3 O14 106.8(4) . .
O13 P3 S6 108.8(3) . .
O14 P3 S6 112.1(3) . .
O13 P3 S5 111.7(3) . .
O14 P3 S5 105.6(3) . .
S6 P3 S5 111.59(18) . .
O9 P4 O10 109.6(5) . .
O9 P4 S7 112.3(3) . .
O10 P4 S7 104.2(3) . .
O9 P4 S8 102.3(3) . .
O10 P4 S8 109.6(4) . .
S7 P4 S8 118.8(2) . .
O5 P5 O6 109.8(5) . .
O5 P5 S10 111.0(4) . .
O6 P5 S10 103.3(3) . .
O5 P5 S9 102.3(3) . .
O6 P5 S9 110.7(4) . .
S10 P5 S9 119.69(19) . .
O2 P6 O1 107.2(6) . .
O2 P6 S11 104.6(4) . .
O1 P6 S11 114.0(4) . .
O2 P6 S12 111.4(5) . .
O1 P6 S12 103.2(4) . .
S11 P6 S12 116.3(2) . .
O18 P7 O17 107.3(4) . .
O18 P7 S13 104.1(3) . .
O17 P7 S13 111.2(3) . .
O18 P7 S14 110.3(3) . .
O17 P7 S14 104.3(3) . .
S13 P7 S14 119.31(18) . .
O21 P8 O22 107.3(4) . .
O21 P8 S16 111.2(3) . .
O22 P8 S16 103.4(3) . .
O21 P8 S15 102.7(3) . .
O22 P8 S15 111.1(3) . .
S16 P8 S15 120.65(17) . .
O8 P9 O7 108.1(5) . .
O8 P9 S17 104.4(4) . .
O7 P9 S17 110.8(4) . .
O8 P9 S18 109.8(3) . .
O7 P9 S18 102.8(4) . .
S17 P9 S18 120.57(19) . .
O4 P10 O3 111.0(7) . .
O4 P10 S19 101.0(6) . .
O3 P10 S19 111.2(4) . .
O4 P10 S20 112.0(4) . .
O3 P10 S20 102.1(4) . .
S19 P10 S20 119.75(19) . .
O20 P11 O19 101.6(4) . .
O20 P11 S22 110.3(3) . .
O19 P11 S22 110.1(3) . .
O20 P11 S21 105.2(3) . .
O19 P11 S21 109.5(3) . .
S22 P11 S21 118.65(17) . .
O12 P12 O11 107.3(4) . .
O12 P12 S24 111.1(3) . .
O11 P12 S24 104.5(4) . .
O12 P12 S23 104.3(3) . .
O11 P12 S23 109.5(4) . .
S24 P12 S23 119.62(17) . .
F6 P13 F2 94.6(13) . .
F6 P13 F5 177.1(14) . .
F2 P13 F5 82.9(13) . .
F6 P13 F3 98.3(13) . .
F2 P13 F3 166.9(14) . .
F5 P13 F3 84.1(11) . .
F6 P13 F1 90.3(11) . .
F2 P13 F1 89.6(10) . .
F5 P13 F1 88.2(12) . .
F3 P13 F1 88.0(9) . .
F6 P13 F4 91.4(11) . .
F2 P13 F4 91.4(10) . .
F5 P13 F4 90.2(12) . .
F3 P13 F4 90.6(10) . .
F1 P13 F4 177.9(12) . .
F11 P14 F9 177.4(14) . .
F11 P14 F10 98.6(12) . .
F9 P14 F10 83.9(10) . .
F11 P14 F12 92.0(13) . .
F9 P14 F12 87.2(11) . .
F10 P14 F12 89.2(10) . .
F11 P14 F7 90.4(11) . .
F9 P14 F7 90.3(11) . .
F10 P14 F7 92.0(9) . .
F12 P14 F7 177.1(13) . .
F11 P14 F8 85.0(11) . .
F9 P14 F8 92.6(10) . .
F10 P14 F8 174.4(11) . .
F12 P14 F8 94.9(10) . .
F7 P14 F8 83.7(8) . .
O27' Se1 O28' 120.3(11) . .
O27' Se1 O28 128.7(13) . .
O28' Se1 O28 18.1(17) . .
O27' Se1 O25' 112.6(9) . .
O28' Se1 O25' 109.3(10) . .
O28 Se1 O25' 112.8(15) . .
O27' Se1 O25 121.4(8) . .
O28' Se1 O25 116.4(10) . .
O28 Se1 O25 109.8(12) . .
O25' Se1 O25 30.5(7) . .
O27' Se1 O27 52.5(8) . .
O28' Se1 O27 93.8(12) . .
O28 Se1 O27 111.7(12) . .
O25' Se1 O27 83.5(9) . .
O25 Se1 O27 111.8(8) . .
O27' Se1 O26 58.9(9) . .
O28' Se1 O26 118.7(9) . .
O28 Se1 O26 107.2(15) . .
O25' Se1 O26 127.8(10) . .
O25 Se1 O26 104.7(9) . .
O27 Se1 O26 111.4(8) . .
O27' Se1 O26' 107.0(13) . .
O28' Se1 O26' 101.4(14) . .
O28 Se1 O26' 83.3(15) . .
O25' Se1 O26' 104.5(10) . .
O25 Se1 O26' 74.0(9) . .
O27 Se1 O26' 159.2(12) . .
O26 Se1 O26' 48.6(10) . .
C1 O1 P6 122.9(10) . .
C3 O2 P6 124.0(14) . .
C5 O3 P10 122.2(10) . .
C7 O4 P10 128.0(16) . .
C9 O5 P5 122.1(8) . .
C11 O6 P5 132.6(11) . .
C13 O7 P9 125.2(10) . .
C15 O8 P9 122.6(9) . .
P4 O9 C17 121.1(9) . .
C19 O10 P4 120.7(8) . .
C21 O11 P12 122.8(8) . .
C23 O12 P12 123.0(8) . .
C25 O13 P3 119.2(8) . .
C27 O14 P3 120.6(8) . .
C29 O15 P2 123.5(10) . .
C31 O16 P2 124.8(9) . .
C33 O17 P7 120.5(7) . .
C35 O18 P7 120.3(7) . .
C37 O19 P11 123.0(7) . .
C39 O20 P11 121.5(7) . .
C41 O21 P8 122.3(7) . .
C43 O22 P8 120.4(8) . .
C45 O23 P1 118.3(12) . .
C47 O24 P1 131.5(16) . .
C47 O24 C47' 68(3) . .
P1 O24 C47' 154(2) . .
Se1 O25 Ag7 122.7(8) . .
Se1 O25 Ag2 120.9(9) . .
Ag7 O25 Ag2 102.2(6) . .
Se1 O26 Ag9 119.4(7) . .
Se1 O26 Ag12 124.8(7) . .
Ag9 O26 Ag12 115.7(6) . .
Se1 O27 A11B 141.2(9) . .
Se1 O27 A11A 144.0(9) . .
A11B O27 A11A 16.0(2) . .
Se1 O28 Ag3 117.2(16) . .
Se1 O25' Ag2 125.2(10) . .
Se1 O25' Ag7 120.6(11) . .
Ag2 O25' Ag7 103.1(7) . .
Se1 O26' Ag9 118.4(9) . .
Se1 O27' A11B 132.3(12) . .
Se1 O28' Ag1 121.0(11) . .
O1 C1 C2 108.3(16) . .
O1 C1 H1A 110.0 . .
C2 C1 H1A 110.0 . .
O1 C1 H1B 110.0 . .
C2 C1 H1B 110.0 . .
H1A C1 H1B 108.4 . .
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 112(3) . .
C4 C3 H3A 109.1 . .
O2 C3 H3A 109.1 . .
C4 C3 H3B 109.1 . .
O2 C3 H3B 109.1 . .
H3A C3 H3B 107.9 . .
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 110.6(17) . .
C6 C5 H5A 109.5 . .
O3 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
O3 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
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 99(2) . .
O4 C7 H7A 111.9 . .
C8 C7 H7A 111.9 . .
O4 C7 H7B 111.9 . .
C8 C7 H7B 111.9 . .
H7A C7 H7B 109.6 . .
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 . .
O5 C9 C10 109.2(12) . .
O5 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
O5 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.3 . .
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 109(2) . .
C12 C11 H11A 109.8 . .
O6 C11 H11A 109.8 . .
C12 C11 H11B 109.8 . .
O6 C11 H11B 109.8 . .
H11A C11 H11B 108.2 . .
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 . .
O7 C13 C14 117.6(17) . .
O7 C13 H13A 107.9 . .
C14 C13 H13A 107.9 . .
O7 C13 H13B 107.9 . .
C14 C13 H13B 107.9 . .
H13A C13 H13B 107.2 . .
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 . .
C16 C15 O8 114.9(16) . .
C16 C15 H15A 108.5 . .
O8 C15 H15A 108.5 . .
C16 C15 H15B 108.5 . .
O8 C15 H15B 108.5 . .
H15A C15 H15B 107.5 . .
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 104.2(18) . .
C18 C17 H17A 110.9 . .
O9 C17 H17A 110.9 . .
C18 C17 H17B 110.9 . .
O9 C17 H17B 110.9 . .
H17A C17 H17B 108.9 . .
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 . .
C20 C19 O10 110.5(14) . .
C20 C19 H19A 109.5 . .
O10 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
O10 C19 H19B 109.5 . .
H19A C19 H19B 108.1 . .
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 . .
C22 C21 O11 109.4(13) . .
C22 C21 H21A 109.8 . .
O11 C21 H21A 109.8 . .
C22 C21 H21B 109.8 . .
O11 C21 H21B 109.8 . .
H21A C21 H21B 108.3 . .
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 . .
C24 C23 O12 109.1(14) . .
C24 C23 H23A 109.9 . .
O12 C23 H23A 109.9 . .
C24 C23 H23B 109.9 . .
O12 C23 H23B 109.9 . .
H23A C23 H23B 108.3 . .
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 111.9(14) . .
C26 C25 H25A 109.2 . .
O13 C25 H25A 109.2 . .
C26 C25 H25B 109.2 . .
O13 C25 H25B 109.2 . .
H25A C25 H25B 107.9 . .
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 107.9(12) . .
O14 C27 H27A 110.1 . .
C28 C27 H27A 110.1 . .
O14 C27 H27B 110.1 . .
C28 C27 H27B 110.1 . .
H27A C27 H27B 108.4 . .
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 115(2) . .
C30 C29 H29A 108.5 . .
O15 C29 H29A 108.5 . .
C30 C29 H29B 108.5 . .
O15 C29 H29B 108.5 . .
H29A C29 H29B 107.5 . .
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 113.1(13) . .
C32 C31 H31A 109.0 . .
O16 C31 H31A 109.0 . .
C32 C31 H31B 109.0 . .
O16 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
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 108.9(11) . .
C34 C33 H33A 109.9 . .
O17 C33 H33A 109.9 . .
C34 C33 H33B 109.9 . .
O17 C33 H33B 109.9 . .
H33A C33 H33B 108.3 . .
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 . .
C36 C35 O18 116.1(14) . .
C36 C35 H35A 108.3 . .
O18 C35 H35A 108.3 . .
C36 C35 H35B 108.3 . .
O18 C35 H35B 108.3 . .
H35A C35 H35B 107.4 . .
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 . .
O19 C37 C38 114.9(13) . .
O19 C37 H37A 108.5 . .
C38 C37 H37A 108.5 . .
O19 C37 H37B 108.5 . .
C38 C37 H37B 108.5 . .
H37A C37 H37B 107.5 . .
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 109.6(12) . .
C40 C39 H39A 109.7 . .
O20 C39 H39A 109.7 . .
C40 C39 H39B 109.7 . .
O20 C39 H39B 109.7 . .
H39A C39 H39B 108.2 . .
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 105.6(12) . .
O21 C41 H41A 110.6 . .
C42 C41 H41A 110.6 . .
O21 C41 H41B 110.6 . .
C42 C41 H41B 110.6 . .
H41A C41 H41B 108.8 . .
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 108.3(19) . .
C44 C43 H43A 110.0 . .
O22 C43 H43A 110.0 . .
C44 C43 H43B 110.0 . .
O22 C43 H43B 110.0 . .
H43A C43 H43B 108.4 . .
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 . .
O23 C45 C46 115(2) . .
O23 C45 H45A 108.6 . .
C46 C45 H45A 108.6 . .
O23 C45 H45B 108.6 . .
C46 C45 H45B 108.6 . .
H45A C45 H45B 107.6 . .
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 . .
O24 C47 C48 110(2) . .
O24 C47 H47A 109.6 . .
C48 C47 H47A 109.6 . .
O24 C47 H47B 109.6 . .
C48 C47 H47B 109.6 . .
H47A C47 H47B 108.1 . .
C48 C47' O24 85(4) . .
C48 C47' H47C 114.5 . .
O24 C47' H47C 114.5 . .
C48 C47' H47D 114.5 . .
O24 C47' H47D 114.5 . .
H47C C47' H47D 111.6 . .
C47' C48 C47 87(4) . .
C47' C48 H48A 139.2 . .
C47 C48 H48A 109.5 . .
C47' C48 H48B 31.0 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47' C48 H48C 98.6 . .
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 O28' 2.501(16) .
Ag1 S21 2.519(3) .
Ag1 S14 2.568(3) .
Ag1 S16 2.667(3) .
Ag1 Ag15 3.3373(13) .
Ag2 O25' 2.446(19) .
Ag2 S13 2.486(3) .
Ag2 O25 2.518(18) .
Ag2 S22 2.533(3) .
Ag2 S19 2.669(3) .
Ag3 S23 2.473(3) .
Ag3 O28 2.51(3) .
Ag3 S17 2.515(3) .
Ag3 S22 2.668(3) .
Ag3 Ag9 3.2353(14) .
Ag4 S15 2.494(3) .
Ag4 S5 2.498(3) .
Ag4 S24 2.529(3) .
Ag4 Ag15 3.0772(13) .
Ag5 S16 2.529(3) .
Ag5 S3 2.537(3) .
Ag5 S6 2.715(3) .
Ag5 S5 2.728(3) .
Ag5 A11B 2.957(6) .
Ag6 S14 2.430(3) .
Ag6 S12 2.486(4) .
Ag6 Ag13 3.1929(15) .
Ag7 O25 2.487(17) .
Ag7 S20 2.503(3) .
Ag7 S10 2.520(3) .
Ag7 O25' 2.53(2) .
Ag7 S12 2.659(4) .
Ag7 Ag13 3.2094(14) .
Ag7 Ag8 3.2555(15) .
Ag8 S9 2.464(3) .
Ag8 S19 2.485(3) .
Ag8 S17 2.637(3) .
Ag9 O26' 2.46(2) .
Ag9 O26 2.464(15) .
Ag9 S18 2.492(3) .
Ag9 S24 2.492(3) .
Ag9 S8 2.697(3) .
Ag9 Ag14 3.2677(15) .
Ag10 S8 2.456(3) .
Ag10 S2 2.556(3) .
Ag10 S5 2.589(3) .
Ag10 Ag12 3.0761(16) .
Ag10 A11B 3.312(6) .
A11A A11B 0.703(8) .
A11A S1 2.333(8) .
A11A O27 2.540(16) .
A11A S3 2.577(8) .
A11B O27 2.392(15) .
A11B S3 2.559(7) .
A11B S1 2.567(7) .
A11B O27' 2.578(18) .
A11B Ag16 3.151(6) .
Ag12 S7 2.516(3) .
Ag12 S1 2.560(3) .
Ag12 S10 2.576(3) .
Ag12 O26 2.587(13) .
Ag12 Ag14 3.3167(15) .
Ag13 S20 2.487(3) .
Ag13 S13 2.493(3) .
Ag13 S11 2.501(3) .
Ag14 S9 2.489(3) .
Ag14 S7 2.502(3) .
Ag14 S18 2.510(3) .
Ag15 S15 2.486(3) .
Ag15 S21 2.492(3) .
Ag15 S23 2.503(3) .
Ag16 S4 2.516(3) .
Ag16 S6 2.547(3) .
Ag16 S2 2.560(3) .
Ag16 S4 2.954(4) 2_656
S1 P1 2.009(5) .
S2 P1 1.989(4) .
S3 P2 1.994(4) .
S4 P2 1.968(4) .
S4 Ag16 2.954(4) 2_656
S5 P3 2.015(4) .
S6 P3 1.974(4) .
S7 P4 1.990(4) .
S8 P4 1.996(4) .
S9 P5 2.008(4) .
S10 P5 1.988(4) .
S11 P6 1.979(5) .
S12 P6 1.983(5) .
S13 P7 1.998(4) .
S14 P7 2.010(4) .
S15 P8 2.004(4) .
S16 P8 1.981(4) .
S17 P9 1.987(4) .
S18 P9 1.996(4) .
S19 P10 1.983(4) .
S20 P10 2.001(4) .
S21 P11 2.003(4) .
S22 P11 1.984(4) .
S23 P12 2.011(4) .
S24 P12 1.988(4) .
P1 O24 1.548(11) .
P1 O23 1.557(9) .
P2 O15 1.562(8) .
P2 O16 1.582(9) .
P3 O13 1.553(8) .
P3 O14 1.568(7) .
P4 O9 1.546(8) .
P4 O10 1.571(8) .
P5 O5 1.555(8) .
P5 O6 1.556(8) .
P6 O2 1.553(9) .
P6 O1 1.567(10) .
P7 O18 1.557(7) .
P7 O17 1.561(7) .
P8 O21 1.558(7) .
P8 O22 1.577(8) .
P9 O8 1.574(8) .
P9 O7 1.589(10) .
P10 O4 1.541(10) .
P10 O3 1.560(9) .
P11 O20 1.563(7) .
P11 O19 1.568(7) .
P12 O12 1.551(7) .
P12 O11 1.565(8) .
P13 F6 1.447(17) .
P13 F2 1.470(15) .
P13 F5 1.47(2) .
P13 F3 1.488(13) .
P13 F1 1.502(13) .
P13 F4 1.579(15) .
P14 F11 1.446(15) .
P14 F9 1.481(15) .
P14 F10 1.496(13) .
P14 F12 1.517(14) .
P14 F7 1.523(14) .
P14 F8 1.551(12) .
Se1 O27' 1.564(14) .
Se1 O28' 1.57(2) .
Se1 O28 1.61(3) .
Se1 O25' 1.626(18) .
Se1 O25 1.631(17) .
Se1 O27 1.637(13) .
Se1 O26 1.651(15) .
Se1 O26' 1.677(19) .
O1 C1 1.421(18) .
O2 C3 1.47(3) .
O3 C5 1.447(16) .
O4 C7 1.445(17) .
O5 C9 1.449(15) .
O6 C11 1.519(19) .
O7 C13 1.393(15) .
O8 C15 1.486(16) .
O9 C17 1.570(19) .
O10 C19 1.469(16) .
O11 C21 1.453(15) .
O12 C23 1.487(14) .
O13 C25 1.481(16) .
O14 C27 1.441(14) .
O15 C29 1.49(2) .
O16 C31 1.479(17) .
O17 C33 1.484(13) .
O18 C35 1.441(15) .
O19 C37 1.401(14) .
O20 C39 1.454(11) .
O21 C41 1.439(13) .
O22 C43 1.495(16) .
O23 C45 1.33(2) .
O24 C47 1.31(3) .
O24 C47' 1.96(8) .
C1 C2 1.46(2) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C4 1.39(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.36(2) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.58(3) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.477(19) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.437(17) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.417(16) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.32(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.29(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.42(2) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.453(18) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.40(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.41(2) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.48(2) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.38(3) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.40(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.45(2) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.31(2) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.435(19) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 C40 1.422(14) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.48(2) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C44 1.32(3) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C46 1.436(17) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C48 1.45(3) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47' C48 1.31(7) .
C47' H47C 0.9700 .
C47' H47D 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
