#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324708.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_4324708
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            'C51 H126 Ag16 F12 Mo O29 P14 S24'
_chemical_formula_weight         4456.40
_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                99.661(2)
_cell_angle_beta                 90.995(2)
_cell_angle_gamma                95.522(2)
_cell_formula_units_Z            2
_cell_length_a                   15.6227(15)
_cell_length_b                   15.7332(14)
_cell_length_c                   28.605(3)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      23.18
_cell_measurement_theta_min      2.29
_cell_volume                     6895.1(12)
_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      253(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            40484
_diffrn_reflns_theta_full        25.17
_diffrn_reflns_theta_max         25.17
_diffrn_reflns_theta_min         0.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.897
_exptl_absorpt_correction_T_max  0.7411
_exptl_absorpt_correction_T_min  0.6236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_description       block
_exptl_crystal_F_000             4320
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.965
_refine_diff_density_min         -2.269
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         24021
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0643
_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)+(0.1280P)²+11.5551P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                14454
_reflns_number_total             24021
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102453q_si_001_4.cif
_cod_data_source_block           4
_cod_original_cell_volume        6895.2(11)
_cod_database_code               4324708
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 0.82105(6) 0.01384(7) 0.26015(4) 0.0864(3) Uani 1 1 d . . .
Ag2 Ag 0.67423(6) -0.04011(6) 0.34339(4) 0.0767(3) Uani 1 1 d . . .
Ag3 Ag 0.74681(6) 0.24032(7) 0.37153(4) 0.0845(3) Uani 1 1 d . . .
Ag4 Ag 0.79946(8) 0.24756(9) 0.21343(5) 0.1102(4) Uani 1 1 d . . .
Ag5A Ag 0.7372(3) 0.0934(4) 0.13591(19) 0.0798(13) Uani 0.50 1 d P . .
Ag5B Ag 0.7220(4) 0.0957(5) 0.1419(3) 0.119(2) Uani 0.50 1 d P . .
Ag6 Ag 0.60047(7) -0.12304(7) 0.21116(4) 0.0848(3) Uani 1 1 d . . .
Ag7 Ag 0.43621(8) -0.04100(7) 0.29826(4) 0.0899(3) Uani 1 1 d . . .
Ag8 Ag 0.51076(6) 0.15317(7) 0.38703(4) 0.0901(3) Uani 1 1 d . . .
Ag9 Ag 0.61857(7) 0.33874(7) 0.31594(4) 0.0889(3) Uani 1 1 d . . .
A10A Ag 0.5286(6) 0.2500(5) 0.1668(3) 0.123(3) Uani 0.50 1 d P . .
A10B Ag 0.5232(5) 0.2262(5) 0.1653(2) 0.111(2) Uani 0.50 1 d P . .
A11A Ag 0.4630(3) 0.0107(3) 0.16487(18) 0.0818(13) Uani 0.50 1 d P . .
A11B Ag 0.4601(4) -0.0183(4) 0.1627(3) 0.119(2) Uani 0.50 1 d P . .
Ag12 Ag 0.39197(9) 0.20643(8) 0.24727(5) 0.1090(4) Uani 1 1 d . . .
Ag13 Ag 0.54251(5) -0.20291(6) 0.29758(3) 0.0710(2) Uani 1 1 d . . .
Ag14 Ag 0.42815(7) 0.32503(7) 0.35870(3) 0.0858(3) Uani 1 1 d . . .
Ag15 Ag 0.91806(6) 0.20113(6) 0.29248(3) 0.0759(3) Uani 1 1 d . . .
Ag16 Ag 0.52831(6) 0.08927(7) 0.05567(4) 0.0891(3) Uani 1 1 d . . .
Mo1 Mo 0.61786(6) 0.11231(6) 0.26830(3) 0.0609(2) Uani 1 1 d . . .
S1 S 0.3404(2) 0.0943(3) 0.17324(14) 0.0945(10) Uani 1 1 d . B .
S2 S 0.4368(2) 0.2048(2) 0.09067(12) 0.0824(9) Uani 1 1 d . B .
S3 S 0.61092(18) -0.03058(19) 0.14619(9) 0.0635(7) Uani 1 1 d . . .
S4 S 0.4870(2) -0.0734(2) 0.04754(10) 0.0752(8) Uani 1 1 d . . .
S5 S 0.6852(3) 0.2709(4) 0.15442(13) 0.1289(19) Uani 1 1 d . . .
S6 S 0.69189(19) 0.1304(2) 0.05320(11) 0.0758(8) Uani 1 1 d . . .
S7 S 0.3378(2) 0.3483(3) 0.28950(13) 0.0943(10) Uani 1 1 d . . .
S8 S 0.5325(2) 0.3590(3) 0.23969(12) 0.1011(13) Uani 1 1 d . . .
S9 S 0.3677(2) 0.2204(3) 0.40997(11) 0.0839(9) Uani 1 1 d . . .
S10 S 0.3776(4) 0.1002(3) 0.30363(16) 0.142(2) Uani 1 1 d . . .
S11 S 0.50680(18) -0.26106(19) 0.21209(11) 0.0697(7) Uani 1 1 d . . .
S12 S 0.3680(2) -0.1037(2) 0.21359(11) 0.0748(8) Uani 1 1 d . . .
S13 S 0.68951(19) -0.1991(2) 0.33307(12) 0.0757(8) Uani 1 1 d . . .
S14 S 0.7587(2) -0.1387(2) 0.22838(12) 0.0783(8) Uani 1 1 d . . .
S15 S 0.9560(2) 0.2319(2) 0.21180(12) 0.0858(9) Uani 1 1 d . . .
S16 S 0.8566(2) 0.0280(2) 0.16870(12) 0.0878(9) Uani 1 1 d . . .
S17 S 0.6367(2) 0.2521(2) 0.43547(12) 0.0771(8) Uani 1 1 d . C .
S18 S 0.5611(3) 0.4204(2) 0.38867(12) 0.0869(10) Uani 1 1 d . C .
S19 S 0.56054(17) 0.01292(18) 0.40496(10) 0.0638(7) Uani 1 1 d . . .
S20 S 0.42175(17) -0.15711(19) 0.34766(10) 0.0661(7) Uani 1 1 d . . .
S21 S 0.95019(16) 0.05976(19) 0.31508(10) 0.0655(7) Uani 1 1 d . . .
S22 S 0.77701(18) 0.0860(2) 0.38461(13) 0.0806(9) Uani 1 1 d . . .
S23 S 0.88618(18) 0.31920(19) 0.35778(10) 0.0678(7) Uani 1 1 d . . .
S24 S 0.7547(2) 0.3752(2) 0.27284(12) 0.0859(9) Uani 1 1 d . . .
P1 P 0.3321(3) 0.1504(3) 0.11723(14) 0.0950(11) Uani 1 1 d . . .
P2 P 0.58669(17) -0.10485(18) 0.08119(9) 0.0564(6) Uani 1 1 d . D .
P3 P 0.7040(2) 0.2525(2) 0.08444(12) 0.0797(9) Uani 1 1 d . . .
P4 P 0.4274(2) 0.4160(2) 0.25786(12) 0.0730(8) Uani 1 1 d . . .
P5 P 0.3047(2) 0.1381(2) 0.35876(11) 0.0767(9) Uani 1 1 d . . .
P6 P 0.38731(19) -0.2284(2) 0.20448(12) 0.0701(8) Uani 1 1 d . E .
P7 P 0.75836(19) -0.2202(2) 0.27482(13) 0.0715(8) Uani 1 1 d . F .
P8 P 0.96013(18) 0.1132(2) 0.17579(11) 0.0756(9) Uani 1 1 d . G .
P9 P 0.5972(3) 0.3677(3) 0.44428(13) 0.1005(13) Uani 1 1 d . . .
P10 P 0.48087(16) -0.0927(2) 0.40777(9) 0.0588(7) Uani 1 1 d . . .
P11 P 0.90273(17) 0.0768(2) 0.38004(11) 0.0651(7) Uani 1 1 d . . .
P12 P 0.85227(19) 0.40639(19) 0.31946(11) 0.0666(7) Uani 1 1 d . H .
P13 P 0.1369(4) 0.6829(4) 0.39713(19) 0.1314(18) Uani 1 1 d . . .
P14 P 0.2226(6) 0.4198(6) 0.0123(3) 0.172(3) Uani 1 1 d . . .
F1 F 0.1893(12) 0.7550(11) 0.3743(6) 0.227(8) Uani 1 1 d . . .
F2 F 0.0766(15) 0.6735(12) 0.3558(8) 0.283(12) Uani 1 1 d . . .
F3 F 0.108(2) 0.7565(15) 0.4263(10) 0.38(2) Uani 1 1 d . . .
F4 F 0.0772(16) 0.6183(16) 0.4150(8) 0.317(14) Uani 1 1 d . . .
F5 F 0.1979(18) 0.6939(12) 0.4361(10) 0.36(2) Uani 1 1 d . . .
F6 F 0.1738(14) 0.6051(16) 0.3693(9) 0.297(12) Uani 1 1 d . . .
F7 F 0.2898(15) 0.3639(19) 0.0243(10) 0.317(13) Uani 1 1 d . A .
F8 F 0.289(3) 0.499(2) 0.0167(13) 0.42(2) Uani 1 1 d . A .
F9 F 0.2151(19) 0.457(2) 0.0639(9) 0.333(15) Uani 1 1 d . A .
F10A F 0.128(10) 0.470(10) 0.034(6) 0.59(11) Uiso 0.50 1 d P A 1
F11A F 0.164(4) 0.342(4) 0.024(3) 0.30(4) Uani 0.50 1 d P A 1
F12A F 0.239(4) 0.356(4) -0.0336(19) 0.35(4) Uani 0.50 1 d P A 1
F10B F 0.175(4) 0.489(5) 0.002(2) 0.34(4) Uani 0.50 1 d P A 2
F11B F 0.129(3) 0.395(7) 0.0006(18) 0.32(4) Uani 0.50 1 d P A 2
F12B F 0.233(3) 0.426(3) -0.0371(17) 0.217(14) Uiso 0.50 1 d P A 2
O1 O 0.307(2) 0.071(2) 0.0863(12) 0.153(10) Uiso 0.50 1 d P B 1
O2 O 0.2856(13) 0.2416(15) 0.1374(7) 0.095(5) Uiso 0.50 1 d P B 1
O1' O 0.2709(13) 0.1001(13) 0.0762(7) 0.090(5) Uiso 0.50 1 d P B 2
O2' O 0.2482(16) 0.1927(17) 0.1185(9) 0.121(7) Uiso 0.50 1 d P B 2
O3 O 0.5719(5) -0.2018(5) 0.0896(3) 0.077(2) Uani 1 1 d . . .
O4 O 0.6687(6) -0.0954(6) 0.0521(3) 0.091(3) Uani 1 1 d . . .
O5 O 0.3499(8) -0.2760(7) 0.1566(4) 0.123(4) Uani 1 1 d . . .
O6 O 0.3345(5) -0.2751(6) 0.2410(4) 0.101(3) Uani 1 1 d . . .
O7 O 0.7258(10) -0.3111(7) 0.2458(5) 0.150(5) Uani 1 1 d . . .
O8 O 0.8498(6) -0.2220(9) 0.2952(4) 0.128(4) Uani 1 1 d . . .
O9 O 0.9566(5) 0.1607(5) 0.4074(3) 0.076(2) Uani 1 1 d . . .
O10 O 0.9324(6) 0.0066(7) 0.4075(4) 0.110(3) Uani 1 1 d . . .
O11 O 0.9969(6) 0.1185(8) 0.1263(3) 0.114(4) Uani 1 1 d . . .
O12 O 1.0282(8) 0.0694(11) 0.1999(4) 0.151(5) Uani 1 1 d D . .
O13 O 0.2682(6) 0.0594(7) 0.3830(4) 0.108(3) Uani 1 1 d . . .
O14 O 0.2311(6) 0.1758(8) 0.3386(3) 0.107(3) Uani 1 1 d . . .
O15 O 0.6593(10) 0.4355(8) 0.4744(5) 0.108(4) Uani 0.75 1 d PD C 1
O16 O 0.5126(8) 0.3610(10) 0.4774(4) 0.096(4) Uani 0.75 1 d P C 1
O15' O 0.726(2) 0.447(2) 0.4457(12) 0.079(9) Uiso 0.25 1 d P C 2
O16' O 0.570(3) 0.419(3) 0.4795(14) 0.088(10) Uiso 0.25 1 d P C 2
O17 O 0.8323(7) 0.4858(6) 0.3564(4) 0.104(3) Uani 1 1 d . . .
O18 O 0.9318(6) 0.4333(6) 0.2900(3) 0.094(3) Uani 1 1 d . . .
O19 O 0.6397(7) 0.3002(7) 0.0583(4) 0.111(3) Uani 1 1 d . . .
O20 O 0.7968(7) 0.2943(7) 0.0792(4) 0.118(3) Uani 1 1 d . . .
O21 O 0.5300(5) -0.1608(6) 0.4281(3) 0.081(2) Uani 1 1 d . . .
O22 O 0.4112(5) -0.0643(6) 0.4447(3) 0.080(2) Uani 1 1 d . . .
O23 O 0.3784(5) 0.4378(6) 0.2133(3) 0.085(2) Uani 1 1 d . . .
O24 O 0.4599(7) 0.5045(6) 0.2904(4) 0.100(3) Uani 1 1 d . K .
O25 O 0.5899(5) 0.0070(5) 0.2774(3) 0.071(2) Uani 1 1 d . . .
O26 O 0.7231(5) 0.1216(6) 0.2494(3) 0.088(2) Uani 1 1 d . . .
O27 O 0.5496(6) 0.1332(6) 0.2263(3) 0.090(2) Uani 1 1 d . . .
O28 O 0.6106(6) 0.1861(5) 0.3194(3) 0.080(2) Uani 1 1 d . . .
C1 C 0.2794(17) 0.0124(18) 0.0596(10) 0.173(9) Uiso 1 1 d . . .
H1A H 0.3242 -0.0265 0.0546 0.207 Uiso 1 1 calc R B 1
H1B H 0.2708 0.0327 0.0298 0.207 Uiso 1 1 calc R B 1
C2 C 0.2046(15) -0.0378(15) 0.0667(10) 0.195(12) Uani 1 1 d . B .
H2A H 0.2106 -0.0976 0.0546 0.292 Uiso 1 1 calc R . .
H2B H 0.1571 -0.0197 0.0504 0.292 Uiso 1 1 calc R . .
H2C H 0.1942 -0.0310 0.1001 0.292 Uiso 1 1 calc R . .
C3 C 0.255(3) 0.280(3) 0.1266(16) 0.138(14) Uiso 0.50 1 d P B 1
H3A H 0.2346 0.2542 0.0948 0.166 Uiso 0.50 1 calc PR B 1
H3B H 0.2965 0.3291 0.1232 0.166 Uiso 0.50 1 calc PR B 1
C3' C 0.204(3) 0.245(3) 0.1475(16) 0.143(14) Uiso 0.50 1 d P B 2
H3'A H 0.1521 0.2075 0.1503 0.171 Uiso 0.50 1 calc PR B 2
H3'B H 0.2357 0.2486 0.1772 0.171 Uiso 0.50 1 calc PR B 2
C4 C 0.1736(11) 0.3214(13) 0.1536(9) 0.155(9) Uani 1 1 d . . .
H4A H 0.1275 0.3206 0.1308 0.233 Uiso 1 1 calc R B 1
H4B H 0.1906 0.3800 0.1686 0.233 Uiso 1 1 calc R B 1
H4C H 0.1547 0.2876 0.1771 0.233 Uiso 1 1 calc R B 1
C5 C 0.5461(15) -0.2672(13) 0.0490(8) 0.070(6) Uiso 0.50 1 d PD D 1
H5A H 0.5879 -0.2652 0.0244 0.084 Uiso 0.50 1 calc PR D 1
H5B H 0.4907 -0.2575 0.0363 0.084 Uiso 0.50 1 calc PR D 1
C5' C 0.654(3) -0.250(3) 0.1077(17) 0.160(16) Uiso 0.50 1 d P D 2
H5'A H 0.6653 -0.2367 0.1418 0.192 Uiso 0.50 1 calc PR D 2
H5'B H 0.7065 -0.2392 0.0910 0.192 Uiso 0.50 1 calc PR D 2
C6 C 0.541(3) -0.3560(17) 0.0652(14) 0.128(12) Uiso 0.50 1 d PD D 1
H6A H 0.5243 -0.4008 0.0386 0.191 Uiso 0.50 1 calc PR D 1
H6B H 0.4983 -0.3578 0.0891 0.191 Uiso 0.50 1 calc PR D 1
H6C H 0.5956 -0.3648 0.0780 0.191 Uiso 0.50 1 calc PR D 1
C6' C 0.601(3) -0.353(3) 0.0888(16) 0.150(15) Uiso 0.50 1 d P D 2
H6'A H 0.6370 -0.3957 0.0953 0.225 Uiso 0.50 1 calc PR D 2
H6'B H 0.5882 -0.3604 0.0553 0.225 Uiso 0.50 1 calc PR D 2
H6'C H 0.5484 -0.3584 0.1054 0.225 Uiso 0.50 1 calc PR D 2
C7 C 0.7439(15) -0.1339(16) 0.0631(9) 0.117(7) Uiso 0.75 1 d P D 1
H7A H 0.7315 -0.1964 0.0586 0.140 Uiso 0.75 1 calc PR D 1
H7B H 0.7622 -0.1132 0.0959 0.140 Uiso 0.75 1 calc PR D 1
C8 C 0.8122(18) -0.1107(19) 0.0318(10) 0.137(9) Uiso 0.75 1 d P D 1
H8A H 0.8635 -0.1354 0.0393 0.205 Uiso 0.75 1 calc PR D 1
H8B H 0.8236 -0.0488 0.0361 0.205 Uiso 0.75 1 calc PR D 1
H8C H 0.7943 -0.1326 -0.0006 0.205 Uiso 0.75 1 calc PR D 1
C7' C 0.705(3) -0.143(3) 0.0183(19) 0.078(13) Uiso 0.25 1 d P D 2
C8' C 0.791(3) -0.154(4) 0.014(2) 0.081(14) Uiso 0.25 1 d P D 2
H8'A H 0.7986 -0.1940 -0.0148 0.121 Uiso 0.25 1 calc PR D 2
H8'B H 0.8118 -0.1760 0.0405 0.121 Uiso 0.25 1 calc PR D 2
H8'C H 0.8229 -0.0991 0.0120 0.121 Uiso 0.25 1 calc PR D 2
C9 C 0.355(2) -0.253(2) 0.1184(12) 0.155(11) Uiso 0.75 1 d P E 1
H9A H 0.4096 -0.2711 0.1060 0.186 Uiso 0.75 1 calc PR E 1
H9B H 0.3621 -0.1906 0.1248 0.186 Uiso 0.75 1 calc PR E 1
C10 C 0.292(2) -0.278(2) 0.0784(12) 0.154(11) Uiso 0.75 1 d P E 1
H10A H 0.3085 -0.2480 0.0530 0.231 Uiso 0.75 1 calc PR E 1
H10B H 0.2361 -0.2630 0.0889 0.231 Uiso 0.75 1 calc PR E 1
H10C H 0.2886 -0.3395 0.0675 0.231 Uiso 0.75 1 calc PR E 1
C9' C 0.292(4) -0.236(4) 0.120(2) 0.091(15) Uiso 0.25 1 d P E 2
H9'A H 0.3155 -0.1792 0.1142 0.109 Uiso 0.25 1 calc PR E 2
H9'B H 0.2319 -0.2364 0.1272 0.109 Uiso 0.25 1 calc PR E 2
C10' C 0.315(4) -0.323(4) 0.074(2) 0.089(16) Uiso 0.25 1 d P E 2
H10D H 0.2838 -0.3195 0.0456 0.134 Uiso 0.25 1 calc PR E 2
H10E H 0.2976 -0.3772 0.0842 0.134 Uiso 0.25 1 calc PR E 2
H10F H 0.3755 -0.3187 0.0689 0.134 Uiso 0.25 1 calc PR E 2
C11 C 0.2484(10) -0.2673(12) 0.2548(7) 0.122(6) Uani 1 1 d . E .
H11A H 0.2472 -0.2464 0.2886 0.146 Uiso 1 1 calc R . .
H11B H 0.2231 -0.2263 0.2382 0.146 Uiso 1 1 calc R . .
C12 C 0.2019(14) -0.3488(18) 0.2434(12) 0.228(15) Uani 1 1 d . . .
H12A H 0.1430 -0.3444 0.2515 0.343 Uiso 1 1 calc R E .
H12B H 0.2260 -0.3883 0.2609 0.343 Uiso 1 1 calc R . .
H12C H 0.2049 -0.3697 0.2100 0.343 Uiso 1 1 calc R . .
C13 C 0.694(3) -0.389(3) 0.2533(15) 0.150(14) Uiso 0.50 1 d PD F 1
C14 C 0.669(3) -0.455(3) 0.2078(16) 0.150(16) Uiso 0.50 1 d PD F 1
C13' C 0.725(3) -0.364(4) 0.207(2) 0.164(17) Uiso 0.50 1 d P F 2
C14' C 0.709(3) -0.445(3) 0.1909(14) 0.117(11) Uiso 0.50 1 d P F 2
C15 C 0.9175(18) -0.2320(19) 0.2714(11) 0.204(12) Uiso 1 1 d D F .
H15A H 0.9027 -0.2210 0.2401 0.245 Uiso 1 1 calc R . .
H15B H 0.9242 -0.2934 0.2677 0.245 Uiso 1 1 calc R . .
C16 C 1.0073(17) -0.186(2) 0.2832(13) 0.265(18) Uani 1 1 d D . .
H16A H 1.0447 -0.2052 0.2580 0.397 Uiso 1 1 calc R F .
H16B H 1.0286 -0.2005 0.3123 0.397 Uiso 1 1 calc R . .
H16C H 1.0054 -0.1250 0.2865 0.397 Uiso 1 1 calc R . .
C17 C 0.9407(10) 0.1962(10) 0.4560(5) 0.098(4) Uani 1 1 d . . .
H17A H 0.9432 0.1520 0.4758 0.117 Uiso 1 1 calc R . .
H17B H 0.8840 0.2166 0.4582 0.117 Uiso 1 1 calc R . .
C18 C 1.0081(12) 0.2700(11) 0.4726(6) 0.124(6) Uani 1 1 d . . .
H18A H 0.9987 0.2943 0.5049 0.186 Uiso 1 1 calc R . .
H18B H 1.0049 0.3136 0.4530 0.186 Uiso 1 1 calc R . .
H18C H 1.0640 0.2493 0.4704 0.186 Uiso 1 1 calc R . .
C19 C 0.8956(15) -0.0692(15) 0.4089(9) 0.159(8) Uiso 1 1 d . . .
H19A H 0.9030 -0.1050 0.3785 0.191 Uiso 1 1 calc R . .
H19B H 0.8345 -0.0643 0.4119 0.191 Uiso 1 1 calc R . .
C20 C 0.9217(15) -0.1148(14) 0.4446(8) 0.164(9) Uani 1 1 d . . .
H20A H 0.8899 -0.1711 0.4403 0.246 Uiso 1 1 calc R . .
H20B H 0.9107 -0.0832 0.4753 0.246 Uiso 1 1 calc R . .
H20C H 0.9821 -0.1212 0.4424 0.246 Uiso 1 1 calc R . .
C21 C 0.9574(14) 0.1429(17) 0.0908(7) 0.159(9) Uani 1 1 d . . .
H21A H 0.9480 0.2033 0.1002 0.190 Uiso 1 1 calc R . .
H21B H 0.9012 0.1100 0.0860 0.190 Uiso 1 1 calc R . .
C22 C 0.9978(17) 0.134(2) 0.0465(7) 0.229(16) Uani 1 1 d . . .
H22A H 0.9625 0.1548 0.0238 0.343 Uiso 1 1 calc R . .
H22B H 1.0053 0.0744 0.0356 0.343 Uiso 1 1 calc R . .
H22C H 1.0529 0.1678 0.0501 0.343 Uiso 1 1 calc R . .
C23 C 1.1274(14) 0.086(2) 0.216(2) 0.20(2) Uiso 0.50 1 d PD G 1
H23A H 1.1634 0.0999 0.1900 0.244 Uiso 0.50 1 calc PR G 1
H23B H 1.1383 0.1316 0.2432 0.244 Uiso 0.50 1 calc PR G 1
C23' C 1.072(3) 0.012(3) 0.1897(16) 0.142(14) Uiso 0.50 1 d P G 2
H23C H 1.1031 0.0223 0.1618 0.170 Uiso 0.50 1 calc PR G 2
H23D H 1.0339 -0.0410 0.1804 0.170 Uiso 0.50 1 calc PR G 2
C24 C 1.1374(16) -0.0045(16) 0.2270(9) 0.176(9) Uiso 1 1 d D . .
H24A H 1.1108 -0.0103 0.2564 0.264 Uiso 1 1 calc R G 1
H24B H 1.1974 -0.0121 0.2296 0.264 Uiso 1 1 calc R G 1
H24C H 1.1102 -0.0476 0.2021 0.264 Uiso 1 1 calc R G 1
C25 C 0.2227(16) -0.0187(16) 0.3572(9) 0.170(9) Uiso 1 1 d . . .
H25A H 0.2115 -0.0123 0.3246 0.204 Uiso 1 1 calc R . .
H25B H 0.2566 -0.0672 0.3572 0.204 Uiso 1 1 calc R . .
C26 C 0.1436(11) -0.0332(16) 0.3803(10) 0.191(12) Uani 1 1 d . . .
H26A H 0.1114 -0.0851 0.3639 0.286 Uiso 1 1 calc R . .
H26B H 0.1106 0.0151 0.3801 0.286 Uiso 1 1 calc R . .
H26C H 0.1555 -0.0396 0.4125 0.286 Uiso 1 1 calc R . .
C27 C 0.1655(12) 0.2165(16) 0.3668(9) 0.159(9) Uani 1 1 d . . .
H27A H 0.1155 0.1747 0.3662 0.191 Uiso 1 1 calc R . .
H27B H 0.1870 0.2322 0.3995 0.191 Uiso 1 1 calc R . .
C28 C 0.1414(16) 0.2862(17) 0.3526(12) 0.237(18) Uani 1 1 d . . .
H28A H 0.0976 0.3092 0.3728 0.356 Uiso 1 1 calc R . .
H28B H 0.1189 0.2713 0.3205 0.356 Uiso 1 1 calc R . .
H28C H 0.1899 0.3290 0.3541 0.356 Uiso 1 1 calc R . .
C29 C 0.7588(13) 0.417(2) 0.4778(15) 0.147(14) Uiso 0.50 1 d PD C 1
H29A H 0.7656 0.3673 0.4932 0.176 Uiso 0.50 1 calc PR C 1
H29B H 0.7840 0.4080 0.4469 0.176 Uiso 0.50 1 calc PR C 1
C30 C 0.7969(17) 0.502(3) 0.5085(18) 0.20(2) Uiso 0.50 1 d PD C 1
H30A H 0.8575 0.4998 0.5137 0.307 Uiso 0.50 1 calc PR C 1
H30B H 0.7693 0.5091 0.5385 0.307 Uiso 0.50 1 calc PR C 1
H30C H 0.7876 0.5493 0.4927 0.307 Uiso 0.50 1 calc PR C 1
C31 C 0.517(3) 0.358(3) 0.5264(15) 0.144(14) Uiso 0.50 1 d P C 1
H31A H 0.5506 0.4091 0.5432 0.173 Uiso 0.50 1 calc PR C 1
H31B H 0.5456 0.3075 0.5315 0.173 Uiso 0.50 1 calc PR C 1
C32 C 0.4311(19) 0.3516(19) 0.5443(11) 0.096(8) Uiso 0.50 1 d P C 1
H32A H 0.4342 0.3498 0.5777 0.143 Uiso 0.50 1 calc PR C 1
H32B H 0.3987 0.2999 0.5280 0.143 Uiso 0.50 1 calc PR C 1
H32C H 0.4033 0.4013 0.5392 0.143 Uiso 0.50 1 calc PR C 1
C33 C 0.809(2) 0.5612(15) 0.3435(11) 0.150(11) Uani 0.75 1 d P H 1
H33A H 0.7509 0.5537 0.3295 0.180 Uiso 0.75 1 calc PR H 1
H33B H 0.8488 0.5838 0.3221 0.180 Uiso 0.75 1 calc PR H 1
C29' C 0.693(2) 0.427(2) 0.5158(14) 0.119(11) Uiso 0.50 1 d P I 2
C30' C 0.681(4) 0.515(4) 0.553(2) 0.22(3) Uiso 0.50 1 d P I 2
C31' C 0.461(2) 0.423(2) 0.4959(13) 0.120(11) Uiso 0.50 1 d P C 2
H31C H 0.4634 0.4802 0.5152 0.144 Uiso 0.50 1 calc PR C 2
H31D H 0.4334 0.4294 0.4662 0.144 Uiso 0.50 1 calc PR C 2
C32' C 0.378(2) 0.368(3) 0.5214(14) 0.134(13) Uiso 0.50 1 d P C 2
H32D H 0.3278 0.3981 0.5213 0.202 Uiso 0.50 1 calc PR C 2
H32E H 0.3950 0.3650 0.5535 0.202 Uiso 0.50 1 calc PR C 2
H32F H 0.3666 0.3105 0.5037 0.202 Uiso 0.50 1 calc PR C 2
C33' C 0.817(8) 0.501(8) 0.403(5) 0.20(5) Uiso 0.25 1 d P H 2
C34 C 0.815(2) 0.6204(16) 0.3954(11) 0.242(17) Uani 1 1 d . . .
H34A H 0.7677 0.6560 0.3986 0.364 Uiso 1 1 calc R H 1
H34B H 0.8681 0.6567 0.3994 0.364 Uiso 1 1 calc R H 1
H34C H 0.8114 0.5839 0.4192 0.364 Uiso 1 1 calc R H 1
C35 C 1.0152(11) 0.4680(12) 0.3108(7) 0.137(7) Uani 1 1 d . H .
H35A H 1.0317 0.4363 0.3353 0.165 Uiso 1 1 calc R . .
H35B H 1.0152 0.5287 0.3246 0.165 Uiso 1 1 calc R . .
C36 C 1.0764(15) 0.4571(15) 0.2697(11) 0.214(14) Uani 1 1 d . . .
H36A H 1.1338 0.4792 0.2811 0.321 Uiso 1 1 calc R H .
H36B H 1.0587 0.4884 0.2457 0.321 Uiso 1 1 calc R . .
H36C H 1.0754 0.3967 0.2564 0.321 Uiso 1 1 calc R . .
C37 C 0.630(2) 0.3890(12) 0.0692(10) 0.200(13) Uani 1 1 d . . .
H37A H 0.6816 0.4228 0.0614 0.241 Uiso 1 1 calc R . .
H37B H 0.6206 0.4054 0.1028 0.241 Uiso 1 1 calc R . .
C38 C 0.5535(19) 0.4052(17) 0.0402(14) 0.26(2) Uani 1 1 d . . .
H38A H 0.5454 0.4657 0.0465 0.396 Uiso 1 1 calc R . .
H38B H 0.5029 0.3721 0.0485 0.396 Uiso 1 1 calc R . .
H38C H 0.5634 0.3881 0.0070 0.396 Uiso 1 1 calc R . .
C39 C 0.830(2) 0.309(2) 0.0363(13) 0.219(13) Uiso 1 1 d . . .
C40 C 0.9207(15) 0.365(2) 0.0484(13) 0.253(19) Uani 1 1 d . . .
H40A H 0.9421 0.3844 0.0202 0.379 Uiso 1 1 calc R . .
H40B H 0.9608 0.3308 0.0601 0.379 Uiso 1 1 calc R . .
H40C H 0.9137 0.4150 0.0721 0.379 Uiso 1 1 calc R . .
C41 C 0.5759(9) -0.1383(12) 0.4752(5) 0.107(5) Uani 1 1 d . . .
H41A H 0.5553 -0.1787 0.4956 0.128 Uiso 1 1 calc R . .
H41B H 0.5653 -0.0804 0.4903 0.128 Uiso 1 1 calc R . .
C42 C 0.6725(9) -0.1425(14) 0.4678(6) 0.133(7) Uani 1 1 d . . .
H42A H 0.7033 -0.1263 0.4978 0.199 Uiso 1 1 calc R . .
H42B H 0.6920 -0.1035 0.4469 0.199 Uiso 1 1 calc R . .
H42C H 0.6826 -0.2005 0.4540 0.199 Uiso 1 1 calc R . .
C43 C 0.3459(10) -0.1310(12) 0.4569(6) 0.119(6) Uani 1 1 d . . .
H43A H 0.3206 -0.1661 0.4279 0.143 Uiso 1 1 calc R . .
H43B H 0.3735 -0.1687 0.4747 0.143 Uiso 1 1 calc R . .
C44 C 0.2807(9) -0.0939(15) 0.4838(5) 0.142(8) Uani 1 1 d . . .
H44A H 0.2395 -0.1389 0.4909 0.213 Uiso 1 1 calc R . .
H44B H 0.2526 -0.0572 0.4661 0.213 Uiso 1 1 calc R . .
H44C H 0.3053 -0.0601 0.5128 0.213 Uiso 1 1 calc R . .
C45 C 0.4230(13) 0.4842(15) 0.1782(9) 0.167(10) Uani 1 1 d . . .
H45A H 0.4469 0.5411 0.1942 0.200 Uiso 1 1 calc R . .
H45B H 0.4704 0.4527 0.1659 0.200 Uiso 1 1 calc R . .
C46 C 0.3730(15) 0.4937(14) 0.1424(8) 0.162(9) Uani 1 1 d . . .
H46A H 0.4056 0.5247 0.1214 0.244 Uiso 1 1 calc R . .
H46B H 0.3262 0.5256 0.1541 0.244 Uiso 1 1 calc R . .
H46C H 0.3507 0.4377 0.1256 0.244 Uiso 1 1 calc R . .
C47 C 0.4009(15) 0.5658(11) 0.3100(7) 0.150(8) Uani 1 1 d D . .
H47A H 0.3483 0.5365 0.3195 0.180 Uiso 1 1 calc R J 1
H47B H 0.3869 0.6025 0.2874 0.180 Uiso 1 1 calc R J 1
C48 C 0.454(3) 0.618(3) 0.3534(12) 0.141(15) Uiso 0.50 1 d PD K 1
H48A H 0.4207 0.6615 0.3698 0.212 Uiso 0.50 1 calc PR K 1
H48B H 0.5058 0.6462 0.3428 0.212 Uiso 0.50 1 calc PR K 1
H48C H 0.4685 0.5801 0.3744 0.212 Uiso 0.50 1 calc PR K 1
C48' C 0.403(3) 0.594(3) 0.3548(16) 0.144(15) Uiso 0.50 1 d P K 2
H48D H 0.3470 0.5835 0.3670 0.216 Uiso 0.50 1 calc PR K 2
H48E H 0.4214 0.6547 0.3608 0.216 Uiso 0.50 1 calc PR K 2
H48F H 0.4432 0.5636 0.3702 0.216 Uiso 0.50 1 calc PR K 2
O29 O -0.030(6) 0.252(7) -0.089(3) 0.35(5) Uiso 0.50 1 d P L 1
C49 C -0.012(7) 0.203(7) -0.100(4) 0.25(4) Uiso 0.50 1 d P L 1
C50 C -0.020(4) 0.356(4) -0.103(2) 0.165(19) Uiso 0.50 1 d P L 1
C51 C 0.075(4) 0.277(5) -0.120(2) 0.18(2) Uiso 0.50 1 d P L 1
O29' O 0.990(5) 0.544(5) 0.150(3) 0.43(4) Uiso 0.50 1 d P M 2
C49' C 0.982(5) 0.668(5) 0.125(3) 0.20(3) Uiso 0.50 1 d P N 2
C50' C 0.946(7) 0.794(7) 0.125(3) 0.27(4) Uiso 0.50 1 d P N 2
C51' C 1.025(8) 0.722(9) 0.136(5) 0.34(6) Uiso 0.50 1 d P N 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Mo Mo -1.6832 0.6857 '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_3
O26 Ag1 S21 118.5(2) .
O26 Ag1 S14 112.8(2) .
S21 Ag1 S14 126.98(11) .
O26 Ag1 S16 81.7(2) .
S21 Ag1 S16 112.16(10) .
S14 Ag1 S16 86.67(11) .
O26 Ag1 Ag15 71.1(2) .
S21 Ag1 Ag15 50.95(7) .
S14 Ag1 Ag15 173.27(9) .
S16 Ag1 Ag15 88.62(8) .
S13 Ag2 O25 115.19(18) .
S13 Ag2 S22 128.89(11) .
O25 Ag2 S22 109.75(19) .
S13 Ag2 S19 114.45(10) .
O25 Ag2 S19 90.92(18) .
S22 Ag2 S19 87.19(9) .
S13 Ag2 Ag13 49.78(7) .
O25 Ag2 Ag13 73.09(17) .
S22 Ag2 Ag13 176.46(10) .
S19 Ag2 Ag13 90.67(7) .
S23 Ag3 S17 136.30(11) .
S23 Ag3 O28 133.57(19) .
S17 Ag3 O28 81.13(19) .
S23 Ag3 S22 107.45(10) .
S17 Ag3 S22 92.24(11) .
O28 Ag3 S22 94.1(2) .
S23 Ag3 Ag9 100.34(8) .
S17 Ag3 Ag9 84.99(8) .
O28 Ag3 Ag9 47.86(19) .
S22 Ag3 Ag9 141.88(8) .
S15 Ag4 S5 135.82(14) .
S15 Ag4 S24 115.71(12) .
S5 Ag4 S24 90.15(13) .
S15 Ag4 O26 108.7(2) .
S5 Ag4 O26 101.1(2) .
S24 Ag4 O26 99.0(2) .
S15 Ag4 Ag5B 103.59(16) .
S5 Ag4 Ag5B 60.81(18) .
S24 Ag4 Ag5B 140.66(16) .
O26 Ag4 Ag5B 65.1(3) .
S15 Ag4 Ag5A 98.67(13) .
S5 Ag4 Ag5A 62.71(15) .
S24 Ag4 Ag5A 145.62(13) .
O26 Ag4 Ag5A 68.7(2) .
Ag5B Ag4 Ag5A 5.5(2) .
S15 Ag4 Ag15 51.59(8) .
S5 Ag4 Ag15 171.16(15) .
S24 Ag4 Ag15 89.34(8) .
O26 Ag4 Ag15 70.3(2) .
Ag5B Ag4 Ag15 115.24(14) .
Ag5A Ag4 Ag15 114.17(9) .
S16 Ag5A S6 136.9(3) .
S16 Ag5A S3 97.5(2) .
S6 Ag5A S3 100.90(15) .
S16 Ag5A S5 131.7(2) .
S6 Ag5A S5 73.41(16) .
S3 Ag5A S5 114.2(2) .
S16 Ag5A Ag4 82.59(14) .
S6 Ag5A Ag4 116.5(2) .
S3 Ag5A Ag4 124.5(2) .
S5 Ag5A Ag4 49.68(12) .
S3 Ag5B S16 98.0(3) .
S3 Ag5B S6 102.6(2) .
S16 Ag5B S6 125.2(3) .
S3 Ag5B S5 124.0(3) .
S16 Ag5B S5 130.4(3) .
S6 Ag5B S5 73.9(2) .
S3 Ag5B Ag4 133.8(3) .
S16 Ag5B Ag4 81.42(19) .
S6 Ag5B Ag4 115.3(3) .
S5 Ag5B Ag4 51.17(14) .
S11 Ag6 S3 128.22(10) .
S11 Ag6 S14 112.00(11) .
S3 Ag6 S14 101.81(10) .
S11 Ag6 O25 119.56(18) .
S3 Ag6 O25 93.68(18) .
S14 Ag6 O25 95.6(2) .
S11 Ag6 Ag13 52.05(8) .
S3 Ag6 Ag13 162.84(8) .
S14 Ag6 Ag13 92.39(8) .
O25 Ag6 Ag13 75.20(17) .
S11 Ag6 A11B 98.25(13) .
S3 Ag6 A11B 47.18(14) .
S14 Ag6 A11B 147.30(14) .
O25 Ag6 A11B 79.2(2) .
Ag13 Ag6 A11B 116.74(13) .
S10 Ag7 S20 133.30(12) .
S10 Ag7 O25 97.9(2) .
S20 Ag7 O25 115.60(19) .
S10 Ag7 S12 94.94(16) .
S20 Ag7 S12 108.59(10) .
O25 Ag7 S12 100.79(19) .
S10 Ag7 Ag13 169.90(18) .
S20 Ag7 Ag13 50.20(7) .
O25 Ag7 Ag13 73.44(17) .
S12 Ag7 Ag13 91.93(8) .
S19 Ag8 O28 102.1(2) .
S19 Ag8 S17 94.76(10) .
O28 Ag8 S17 79.1(2) .
S19 Ag8 S9 128.55(11) .
O28 Ag8 S9 126.8(2) .
S17 Ag8 S9 107.88(11) .
S19 Ag8 Ag14 174.32(8) .
O28 Ag8 Ag14 79.68(19) .
S17 Ag8 Ag14 90.87(8) .
S9 Ag8 Ag14 48.35(8) .
O28 Ag9 S18 110.9(2) .
O28 Ag9 S24 106.8(2) .
S18 Ag9 S24 129.07(13) .
O28 Ag9 S8 108.5(2) .
S18 Ag9 S8 111.14(11) .
S24 Ag9 S8 87.01(13) .
O28 Ag9 Ag3 52.2(2) .
S18 Ag9 Ag3 95.15(8) .
S24 Ag9 Ag3 82.03(8) .
S8 Ag9 Ag3 152.60(9) .
O28 Ag9 Ag14 84.0(2) .
S18 Ag9 Ag14 49.49(10) .
S24 Ag9 Ag14 166.97(9) .
S8 Ag9 Ag14 82.56(10) .
Ag3 Ag9 Ag14 110.72(4) .
S8 A10A S5 95.0(3) .
S8 A10A S2 138.2(4) .
S5 A10A S2 114.4(3) .
S8 A10A Ag12 64.3(2) .
S5 A10A Ag12 141.0(3) .
S2 A10A Ag12 101.8(3) .
S2 A10B O27 134.5(4) .
S2 A10B S5 113.0(3) .
O27 A10B S5 94.9(3) .
S2 A10B S8 129.5(4) .
O27 A10B S8 85.4(3) .
S5 A10B S8 86.6(2) .
S2 A10B Ag12 106.7(3) .
O27 A10B Ag12 58.7(2) .
S5 A10B Ag12 140.0(3) .
S8 A10B Ag12 63.68(19) .
S1 A11A S3 160.5(3) .
S1 A11A S12 85.9(2) .
S3 A11A S12 113.4(2) .
S3 A11B S12 126.8(3) .
S3 A11B S1 142.9(3) .
S12 A11B S1 86.3(2) .
S3 A11B Ag6 50.13(13) .
S12 A11B Ag6 77.24(19) .
S1 A11B Ag6 149.1(3) .
S10 Ag12 S7 107.25(13) .
S10 Ag12 S1 94.92(17) .
S7 Ag12 S1 134.32(13) .
S10 Ag12 A10B 131.08(19) .
S7 Ag12 A10B 115.67(18) .
S1 Ag12 A10B 71.52(16) .
S10 Ag12 A10A 135.6(2) .
S7 Ag12 A10A 109.46(17) .
S1 Ag12 A10A 76.51(16) .
A10B Ag12 A10A 6.3(3) .
S20 Ag13 S13 120.70(11) .
S20 Ag13 S11 116.79(10) .
S13 Ag13 S11 122.39(11) .
S20 Ag13 Ag6 124.32(8) .
S13 Ag13 Ag6 95.60(8) .
S11 Ag13 Ag6 52.25(7) .
S20 Ag13 Ag7 50.45(7) .
S13 Ag13 Ag7 125.72(9) .
S11 Ag13 Ag7 93.51(8) .
Ag6 Ag13 Ag7 74.44(4) .
S20 Ag13 Ag2 94.48(7) .
S13 Ag13 Ag2 50.27(8) .
S11 Ag13 Ag2 128.89(8) .
Ag6 Ag13 Ag2 76.93(3) .
Ag7 Ag13 Ag2 75.72(3) .
S18 Ag14 S7 123.06(13) .
S18 Ag14 S9 117.40(12) .
S7 Ag14 S9 118.41(13) .
S18 Ag14 Ag9 49.33(8) .
S7 Ag14 Ag9 101.04(10) .
S9 Ag14 Ag9 127.52(9) .
S18 Ag14 Ag8 91.34(8) .
S7 Ag14 Ag8 133.36(11) .
S9 Ag14 Ag8 50.96(8) .
Ag9 Ag14 Ag8 77.02(3) .
S23 Ag15 S15 121.42(12) .
S23 Ag15 S21 117.41(10) .
S15 Ag15 S21 119.19(12) .
S23 Ag15 Ag4 97.82(8) .
S15 Ag15 Ag4 50.90(9) .
S21 Ag15 Ag4 132.85(8) .
S23 Ag15 Ag1 129.86(8) .
S15 Ag15 Ag1 97.74(9) .
S21 Ag15 Ag1 50.87(7) .
Ag4 Ag15 Ag1 82.83(4) .
S2 Ag16 S4 125.30(12) .
S2 Ag16 S6 118.00(12) .
S4 Ag16 S6 113.45(11) .
S2 Ag16 S4 107.36(11) 2_655
S4 Ag16 S4 89.29(10) 2_655
S6 Ag16 S4 90.29(10) 2_655
O27 Mo1 O28 109.2(4) .
O27 Mo1 O25 107.9(4) .
O28 Mo1 O25 111.5(4) .
O27 Mo1 O26 110.1(4) .
O28 Mo1 O26 108.8(4) .
O25 Mo1 O26 109.3(4) .
P1 S1 A11A 108.1(2) .
P1 S1 Ag12 110.8(2) .
A11A S1 Ag12 99.58(17) .
P1 S1 A11B 111.0(3) .
A11A S1 A11B 8.1(3) .
Ag12 S1 A11B 104.93(19) .
P1 S2 A10B 94.7(2) .
P1 S2 Ag16 109.5(2) .
A10B S2 Ag16 89.6(2) .
P1 S2 A10A 99.1(3) .
A10B S2 A10A 8.3(3) .
Ag16 S2 A10A 94.6(2) .
P2 S3 A11B 94.54(19) .
P2 S3 A11A 99.94(16) .
A11B S3 A11A 10.3(2) .
P2 S3 Ag5B 110.9(2) .
A11B S3 Ag5B 124.9(3) .
A11A S3 Ag5B 114.6(2) .
P2 S3 Ag6 110.95(15) .
A11B S3 Ag6 82.69(19) .
A11A S3 Ag6 88.96(16) .
Ag5B S3 Ag6 126.54(19) .
P2 S3 Ag5A 106.72(18) .
A11B S3 Ag5A 129.6(2) .
A11A S3 Ag5A 119.4(2) .
Ag5B S3 Ag5A 5.4(3) .
Ag6 S3 Ag5A 127.22(13) .
P2 S4 Ag16 99.20(14) .
P2 S4 Ag16 123.69(16) 2_655
Ag16 S4 Ag16 90.71(10) 2_655
P3 S5 A10A 108.4(2) .
P3 S5 Ag4 121.8(2) .
A10A S5 Ag4 124.0(3) .
P3 S5 A10B 107.0(2) .
A10A S5 A10B 7.9(4) .
Ag4 S5 A10B 121.4(3) .
P3 S5 Ag5B 81.3(2) .
A10A S5 Ag5B 99.3(3) .
Ag4 S5 Ag5B 68.02(18) .
A10B S5 Ag5B 91.4(3) .
P3 S5 Ag5A 77.5(2) .
A10A S5 Ag5A 104.1(3) .
Ag4 S5 Ag5A 67.61(14) .
A10B S5 Ag5A 96.2(3) .
Ag5B S5 Ag5A 5.4(3) .
P3 S6 Ag16 102.12(17) .
P3 S6 Ag5A 86.5(2) .
Ag16 S6 Ag5A 98.42(16) .
P3 S6 Ag5B 84.9(2) .
Ag16 S6 Ag5B 93.10(17) .
Ag5A S6 Ag5B 6.0(3) .
P4 S7 Ag14 98.46(17) .
P4 S7 Ag12 89.62(17) .
Ag14 S7 Ag12 84.49(11) .
P4 S8 A10A 119.2(3) .
P4 S8 Ag9 109.99(17) .
A10A S8 Ag9 120.6(3) .
P4 S8 A10B 119.1(2) .
A10A S8 A10B 6.1(3) .
Ag9 S8 A10B 116.7(2) .
P5 S9 Ag14 96.47(16) .
P5 S9 Ag8 90.53(16) .
Ag14 S9 Ag8 80.68(10) .
P5 S10 Ag7 118.1(2) .
P5 S10 Ag12 112.9(2) .
Ag7 S10 Ag12 129.01(16) .
P6 S11 Ag13 102.27(15) .
P6 S11 Ag6 103.91(15) .
Ag13 S11 Ag6 75.70(8) .
P6 S12 A11B 113.5(2) .
P6 S12 Ag7 103.77(16) .
A11B S12 Ag7 101.16(18) .
P6 S12 A11A 121.0(2) .
A11B S12 A11A 7.7(2) .
Ag7 S12 A11A 96.92(13) .
P7 S13 Ag13 101.00(16) .
P7 S13 Ag2 103.20(16) .
Ag13 S13 Ag2 79.95(9) .
P7 S14 Ag1 114.95(18) .
P7 S14 Ag6 105.53(16) .
Ag1 S14 Ag6 103.60(12) .
P8 S15 Ag4 102.85(16) .
P8 S15 Ag15 101.50(17) .
Ag4 S15 Ag15 77.52(10) .
P8 S16 Ag5A 108.4(2) .
P8 S16 Ag5B 111.0(2) .
Ag5A S16 Ag5B 5.9(3) .
P8 S16 Ag1 102.97(16) .
Ag5A S16 Ag1 107.8(2) .
Ag5B S16 Ag1 101.9(2) .
P9 S17 Ag3 109.3(2) .
P9 S17 Ag8 103.99(18) .
Ag3 S17 Ag8 97.68(11) .
P9 S18 Ag9 108.01(17) .
P9 S18 Ag14 101.8(2) .
Ag9 S18 Ag14 81.18(10) .
P10 S19 Ag8 123.42(14) .
P10 S19 Ag2 104.47(14) .
Ag8 S19 Ag2 109.22(11) .
P10 S20 Ag13 103.43(13) .
P10 S20 Ag7 99.52(14) .
Ag13 S20 Ag7 79.35(9) .
P11 S21 Ag1 104.75(13) .
P11 S21 Ag15 98.24(14) .
Ag1 S21 Ag15 78.18(9) .
P11 S22 Ag2 118.34(17) .
P11 S22 Ag3 108.46(15) .
Ag2 S22 Ag3 116.98(14) .
P12 S23 Ag3 103.03(14) .
P12 S23 Ag15 99.75(15) .
Ag3 S23 Ag15 91.70(10) .
P12 S24 Ag9 109.17(18) .
P12 S24 Ag4 104.94(17) .
Ag9 S24 Ag4 113.78(14) .
O1 P1 O2' 100.7(17) .
O1 P1 O1' 32.3(13) .
O2' P1 O1' 71.5(12) .
O1 P1 O2 136.0(16) .
O2' P1 O2 35.6(10) .
O1' P1 O2 105.2(11) .
O1 P1 S1 93.5(14) .
O2' P1 S1 108.7(10) .
O1' P1 S1 115.4(8) .
O2 P1 S1 103.9(8) .
O1 P1 S2 106.7(13) .
O2' P1 S2 120.4(10) .
O1' P1 S2 109.9(7) .
O2 P1 S2 98.4(8) .
S1 P1 S2 121.0(2) .
O4 P2 O3 108.1(5) .
O4 P2 S4 110.6(4) .
O3 P2 S4 110.9(4) .
O4 P2 S3 107.7(4) .
O3 P2 S3 106.4(3) .
S4 P2 S3 112.92(18) .
O20 P3 O19 108.6(6) .
O20 P3 S6 110.1(5) .
O19 P3 S6 107.1(4) .
O20 P3 S5 105.3(5) .
O19 P3 S5 111.0(5) .
S6 P3 S5 114.7(3) .
O24 P4 O23 107.5(5) .
O24 P4 S8 105.5(4) .
O23 P4 S8 111.7(4) .
O24 P4 S7 111.3(4) .
O23 P4 S7 104.3(4) .
S8 P4 S7 116.4(2) .
O14 P5 O13 108.9(6) .
O14 P5 S9 112.1(5) .
O13 P5 S9 105.0(4) .
O14 P5 S10 105.6(4) .
O13 P5 S10 112.1(5) .
S9 P5 S10 113.3(3) .
O5 P6 O6 103.2(7) .
O5 P6 S12 110.9(5) .
O6 P6 S12 110.3(4) .
O5 P6 S11 108.0(5) .
O6 P6 S11 103.9(4) .
S12 P6 S11 119.17(18) .
O8 P7 O7 109.8(8) .
O8 P7 S14 110.5(4) .
O7 P7 S14 105.3(6) .
O8 P7 S13 102.8(5) .
O7 P7 S13 108.7(5) .
S14 P7 S13 119.6(2) .
O12 P8 O11 103.3(7) .
O12 P8 S15 108.3(6) .
O11 P8 S15 109.5(5) .
O12 P8 S16 104.3(7) .
O11 P8 S16 109.4(5) .
S15 P8 S16 120.6(2) .
O16' P9 O15 59.7(19) .
O16' P9 O16 46.9(19) .
O15 P9 O16 103.6(8) .
O16' P9 S17 134.9(17) .
O15 P9 S17 112.9(6) .
O16 P9 S17 104.7(6) .
O16' P9 S18 102.2(17) .
O15 P9 S18 106.2(6) .
O16 P9 S18 106.5(5) .
S17 P9 S18 121.3(2) .
O16' P9 O15' 93(2) .
O15 P9 O15' 35.5(10) .
O16 P9 O15' 138.8(10) .
S17 P9 O15' 99.2(9) .
S18 P9 O15' 88.3(9) .
O21 P10 O22 106.6(5) .
O21 P10 S19 109.9(3) .
O22 P10 S19 106.5(4) .
O21 P10 S20 105.2(4) .
O22 P10 S20 109.2(3) .
S19 P10 S20 118.83(17) .
O10 P11 O9 101.0(6) .
O10 P11 S22 111.8(4) .
O9 P11 S22 111.5(3) .
O10 P11 S21 109.4(5) .
O9 P11 S21 104.6(3) .
S22 P11 S21 117.1(2) .
O17 P12 O18 109.3(6) .
O17 P12 S24 108.8(4) .
O18 P12 S24 105.4(4) .
O17 P12 S23 105.2(5) .
O18 P12 S23 108.4(4) .
S24 P12 S23 119.6(2) .
F3 P13 F5 79.9(17) .
F3 P13 F4 95.7(15) .
F5 P13 F4 95.5(15) .
F3 P13 F2 100(2) .
F5 P13 F2 177.7(16) .
F4 P13 F2 86.8(12) .
F3 P13 F6 175(2) .
F5 P13 F6 95.2(16) .
F4 P13 F6 84.9(14) .
F2 P13 F6 84.5(13) .
F3 P13 F1 82.0(12) .
F5 P13 F1 91.7(12) .
F4 P13 F1 171.9(15) .
F2 P13 F1 86.0(11) .
F6 P13 F1 98.0(14) .
F10B P14 F12B 72(3) .
F10B P14 F11B 65(5) .
F12B P14 F11B 87(3) .
F10B P14 F7 166(4) .
F12B P14 F7 106(2) .
F11B P14 F7 129(5) .
F10B P14 F9 87(3) .
F12B P14 F9 154(3) .
F11B P14 F9 98(3) .
F7 P14 F9 91.2(17) .
F10B P14 F8 75(3) .
F12B P14 F8 80(2) .
F11B P14 F8 139(5) .
F7 P14 F8 92(2) .
F9 P14 F8 79.7(18) .
F10B P14 F11A 113(4) .
F12B P14 F11A 118(4) .
F11B P14 F11A 51(3) .
F7 P14 F11A 80(2) .
F9 P14 F11A 85(3) .
F8 P14 F11A 162(3) .
F10B P14 F12A 111(4) .
F12B P14 F12A 44(3) .
F11B P14 F12A 86(4) .
F7 P14 F12A 72.3(19) .
F9 P14 F12A 161(3) .
F8 P14 F12A 109(4) .
F11A P14 F12A 84(4) .
F10B P14 F10A 43(5) .
F12B P14 F10A 110(6) .
F11B P14 F10A 49(5) .
F7 P14 F10A 144(5) .
F9 P14 F10A 59(5) .
F8 P14 F10A 101(5) .
F11A P14 F10A 78(5) .
F12A P14 F10A 132(6) .
P14 F9 F10A 70(5) .
F9 F10A P14 51(4) .
P14 F10B F11B 59(4) .
P14 F10B F12B 54(2) .
F11B F10B F12B 76(5) .
P14 F11B F10B 56(2) .
P14 F12B F10B 54(2) .
C1 O1 P1 172(4) .
C3 O2 P1 140(4) .
C1 O1' P1 119.2(19) .
C1 O1' O2' 156(2) .
P1 O1' O2' 53.4(10) .
C3' O2' P1 141(3) .
C3' O2' O1' 159(3) .
P1 O2' O1' 55.1(11) .
C5 O3 P2 117.3(10) .
C5 O3 C5' 96.4(18) .
P2 O3 C5' 119.9(16) .
C7' O4 C7 61(2) .
C7' O4 P2 137(2) .
C7 O4 P2 120.8(12) .
C9 O5 P6 128.4(19) .
C9 O5 C9' 40(2) .
P6 O5 C9' 126(2) .
C11 O6 P6 128.9(10) .
C13' O7 C13 71(3) .
C13' O7 P7 148(3) .
C13 O7 P7 139(2) .
C15 O8 P7 126.4(17) .
C17 O9 P11 122.0(8) .
C19 O10 P11 128.8(14) .
C21 O11 P8 126.3(12) .
C23' O12 P8 138(2) .
C23' O12 C23 62(3) .
P8 O12 C23 138.9(16) .
C25 O13 P5 123.3(13) .
C27 O14 P5 124.0(11) .
P9 O15 C29 118.1(15) .
C31 O16 P9 123.9(19) .
P9 O16' C31' 126(3) .
C33' O17 C33 100(6) .
C33' O17 P12 136(6) .
C33 O17 P12 122.7(15) .
C35 O18 P12 124.0(10) .
C37 O19 P3 124.8(14) .
C39 O20 P3 124.1(17) .
C41 O21 P10 120.7(9) .
C43 O22 P10 119.0(9) .
C45 O23 P4 122.1(10) .
C47 O24 P4 121.7(11) .
Mo1 O25 Ag2 115.5(4) .
Mo1 O25 Ag7 120.5(4) .
Ag2 O25 Ag7 100.5(3) .
Mo1 O25 Ag6 121.3(4) .
Ag2 O25 Ag6 100.0(3) .
Ag7 O25 Ag6 94.9(2) .
Mo1 O26 Ag1 121.1(4) .
Mo1 O26 Ag4 127.2(4) .
Ag1 O26 Ag4 111.5(3) .
Mo1 O27 A10B 146.5(5) .
Mo1 O28 Ag9 120.0(4) .
Mo1 O28 Ag3 119.1(4) .
Ag9 O28 Ag3 80.0(3) .
Mo1 O28 Ag8 122.0(4) .
Ag9 O28 Ag8 109.2(3) .
Ag3 O28 Ag8 97.0(3) .
O1 C1 C2 123(3) .
O1 C1 O1' 36.7(19) .
C2 C1 O1' 110(2) .
O2 C3 C4 124(5) .
C4 C3' O2' 143(4) .
C3' C4 C3 45(2) .
O3 C5 C6 108(2) .
O3 C5' C6' 92(3) .
O4 C7 C8 109(2) .
O4 C7' C8' 128(5) .
O5 C9 C10 126(3) .
O5 C9' C10' 89(3) .
C12 C11 O6 108.3(17) .
O7 C13 C14 114(4) .
O7 C13' C14' 140(5) .
O8 C15 C16 128(3) .
O9 C17 C18 108.3(12) .
O10 C19 C20 119(2) .
O11 C21 C22 118(2) .
C24 C23 O12 96.9(16) .
O12 C23' C24 118(3) .
C23' C24 C23 57(2) .
C26 C25 O13 107(2) .
C28 C27 O14 114(2) .
C30 C29 O15 100.1(8) .
O16 C31 C32 109(3) .
O17 C33 C34 98(2) .
C32' C31' O16' 143(3) .
O17 C33' C34 86(7) .
C33 C34 C33' 71(4) .
O18 C35 C36 104.9(17) .
O19 C37 C38 107(2) .
O20 C39 C40 107(3) .
O21 C41 C42 108.3(12) .
C44 C43 O22 111.8(16) .
C46 C45 O23 113.9(18) .
C48' C47 O24 119(3) .
C48' C47 C48 33(2) .
O24 C47 C48 102(2) .
C49 O29 C50 137(10) .
C49 O29 C51 73(10) .
C50 O29 C51 68(5) .
O29 C49 C51 81(10) .
O29 C50 C51 60(4) .
C49 C51 O29 26(4) .
C49 C51 C50 77(5) .
O29 C51 C50 52(4) .
C49' C51' C50' 92(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O26 2.443(8) .
Ag1 S21 2.508(3) .
Ag1 S14 2.514(3) .
Ag1 S16 2.725(4) .
Ag1 Ag15 3.1642(14) .
Ag2 S13 2.504(3) .
Ag2 O25 2.533(8) .
Ag2 S22 2.538(3) .
Ag2 S19 2.618(3) .
Ag2 Ag13 3.2059(13) .
Ag3 S23 2.472(3) .
Ag3 S17 2.529(3) .
Ag3 O28 2.568(9) .
Ag3 S22 2.603(4) .
Ag3 Ag9 3.2020(14) .
Ag4 S15 2.482(4) .
Ag4 S5 2.530(4) .
Ag4 S24 2.564(4) .
Ag4 O26 2.586(9) .
Ag4 Ag5B 3.012(7) .
Ag4 Ag5A 3.068(6) .
Ag4 Ag15 3.1224(16) .
Ag5A S16 2.460(5) .
Ag5A S6 2.631(5) .
Ag5A S3 2.693(6) .
Ag5A S5 2.949(8) .
Ag5B S3 2.530(7) .
Ag5B S16 2.605(8) .
Ag5B S6 2.727(8) .
Ag5B S5 2.835(9) .
Ag6 S11 2.503(3) .
Ag6 S3 2.543(3) .
Ag6 S14 2.555(3) .
Ag6 O25 2.565(7) .
Ag6 Ag13 3.0679(14) .
Ag6 A11B 3.287(7) .
Ag7 S10 2.466(4) .
Ag7 S20 2.486(3) .
Ag7 O25 2.558(7) .
Ag7 S12 2.623(3) .
Ag7 Ag13 3.1693(15) .
Ag8 S19 2.536(3) .
Ag8 O28 2.595(8) .
Ag8 S17 2.608(4) .
Ag8 S9 2.611(4) .
Ag8 Ag14 3.3173(15) .
Ag9 O28 2.411(8) .
Ag9 S18 2.485(3) .
Ag9 S24 2.543(4) .
Ag9 S8 2.624(3) .
Ag9 Ag14 3.2379(16) .
A10A S8 2.465(8) .
A10A S5 2.476(10) .
A10A S2 2.544(9) .
A10A Ag12 3.278(8) .
A10B S2 2.461(8) .
A10B O27 2.512(12) .
A10B S5 2.599(9) .
A10B S8 2.712(9) .
A10B Ag12 3.176(7) .
A11A S1 2.417(6) .
A11A S3 2.503(6) .
A11A S12 2.790(7) .
A11B S3 2.431(7) .
A11B S12 2.521(8) .
A11B S1 2.683(7) .
Ag12 S10 2.507(4) .
Ag12 S7 2.579(4) .
Ag12 S1 2.580(4) .
Ag13 S20 2.478(3) .
Ag13 S13 2.486(3) .
Ag13 S11 2.496(3) .
Ag14 S18 2.491(4) .
Ag14 S7 2.508(3) .
Ag14 S9 2.512(4) .
Ag15 S23 2.497(3) .
Ag15 S15 2.506(3) .
Ag15 S21 2.511(3) .
Ag16 S2 2.507(4) .
Ag16 S4 2.549(4) .
Ag16 S6 2.580(3) .
Ag16 S4 2.924(3) 2_655
Mo1 O27 1.686(9) .
Mo1 O28 1.719(8) .
Mo1 O25 1.736(7) .
Mo1 O26 1.739(8) .
S1 P1 1.963(5) .
S2 P1 1.995(6) .
S3 P2 2.032(4) .
S4 P2 1.964(4) .
S4 Ag16 2.924(3) 2_655
S5 P3 2.005(5) .
S6 P3 1.967(5) .
S7 P4 1.997(5) .
S8 P4 1.981(4) .
S9 P5 1.965(5) .
S10 P5 2.005(5) .
S11 P6 2.001(4) .
S12 P6 1.987(4) .
S13 P7 1.997(5) .
S14 P7 1.995(5) .
S15 P8 1.983(5) .
S16 P8 1.984(5) .
S17 P9 1.954(5) .
S18 P9 2.010(5) .
S19 P10 1.991(4) .
S20 P10 2.004(4) .
S21 P11 1.998(4) .
S22 P11 1.988(4) .
S23 P12 1.997(4) .
S24 P12 1.977(4) .
P1 O1 1.42(4) .
P1 O2' 1.52(3) .
P1 O1' 1.56(2) .
P1 O2 1.69(2) .
P2 O4 1.549(8) .
P2 O3 1.580(8) .
P3 O20 1.553(11) .
P3 O19 1.562(11) .
P4 O24 1.574(10) .
P4 O23 1.578(8) .
P5 O14 1.493(11) .
P5 O13 1.583(11) .
P6 O5 1.525(10) .
P6 O6 1.576(9) .
P7 O8 1.538(10) .
P7 O7 1.563(12) .
P8 O12 1.537(11) .
P8 O11 1.549(10) .
P9 O16' 1.28(4) .
P9 O15 1.512(12) .
P9 O16 1.645(12) .
P9 O15' 2.26(3) .
P10 O21 1.558(8) .
P10 O22 1.573(8) .
P11 O10 1.557(10) .
P11 O9 1.575(8) .
P12 O17 1.555(10) .
P12 O18 1.578(9) .
P13 F3 1.43(2) .
P13 F5 1.430(16) .
P13 F4 1.474(17) .
P13 F2 1.477(18) .
P13 F6 1.51(2) .
P13 F1 1.572(15) .
P14 F10B 1.44(3) .
P14 F12B 1.44(4) .
P14 F11B 1.49(4) .
P14 F7 1.50(2) .
P14 F9 1.51(2) .
P14 F8 1.53(3) .
P14 F11A 1.54(5) .
P14 F12A 1.56(3) .
P14 F10A 1.81(13) .
F9 F10A 1.64(15) .
F10B F11B 1.57(11) .
F10B F12B 1.70(7) .
O1 C1 1.14(4) .
O2 C3 0.90(4) .
O1' C1 1.40(3) .
O1' O2' 1.80(3) .
O2' C3' 1.32(5) .
O3 C5 1.44(2) .
O3 C5' 1.67(4) .
O4 C7' 1.30(5) .
O4 C7 1.43(2) .
O5 C9 1.21(3) .
O5 C9' 1.62(6) .
O6 C11 1.419(17) .
O7 C13' 1.27(6) .
O7 C13 1.34(5) .
O8 C15 1.28(3) .
O9 C17 1.445(15) .
O10 C19 1.28(2) .
O11 C21 1.31(2) .
O12 C23' 1.18(4) .
O12 C23 1.590(10) .
O13 C25 1.44(2) .
O14 C27 1.45(2) .
O15 C29 1.613(10) .
O16 C31 1.41(4) .
O16' C31' 1.79(5) .
O17 C33' 1.34(13) .
O17 C33 1.38(2) .
O18 C35 1.441(18) .
O19 C37 1.40(2) .
O20 C39 1.39(4) .
O21 C41 1.488(16) .
O22 C43 1.481(17) .
O23 C45 1.48(2) .
O24 C47 1.450(18) .
C1 C2 1.38(3) .
C3 C4 1.63(5) .
C3' C4 1.32(4) .
C5 C6 1.538(10) .
C5' C6' 1.74(6) .
C7 C8 1.46(3) .
C7' C8' 1.37(7) .
C9 C10 1.48(4) .
C9' C10' 1.79(8) .
C11 C12 1.40(3) .
C13 C14 1.539(10) .
C13' C14' 1.28(6) .
C15 C16 1.518(10) .
C17 C18 1.50(2) .
C19 C20 1.42(3) .
C21 C22 1.42(2) .
C23 C24 1.542(10) .
C23' C24 1.54(5) .
C25 C26 1.43(3) .
C27 C28 1.32(3) .
C29 C30 1.531(10) .
C31 C32 1.45(4) .
C33 C34 1.61(4) .
C29' C30' 1.63(7) .
C31' C32' 1.72(5) .
C33' C34 1.93(13) .
C35 C36 1.53(3) .
C37 C38 1.51(3) .
C39 C40 1.59(4) .
C41 C42 1.53(2) .
C43 C44 1.40(2) .
C45 C46 1.31(3) .
C47 C48' 1.28(4) .
C47 C48 1.550(10) .
O29 C49 0.85(14) .
O29 C50 1.74(11) .
O29 C51 1.91(11) .
C49 C51 1.86(13) .
C50 C51 2.03(9) .
C49' C51' 1.03(13) .
C50' C51' 1.82(15) .
