#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324707.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_4324707
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            'C48 H120 Ag16 Cr F12 O28 P14 S24'
_chemical_formula_weight         4354.38
_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                90.814(2)
_cell_angle_beta                 93.693(2)
_cell_angle_gamma                107.904(2)
_cell_formula_units_Z            2
_cell_length_a                   15.6196(10)
_cell_length_b                   19.3825(14)
_cell_length_c                   22.8341(16)
_cell_measurement_reflns_used    6769
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.28
_cell_measurement_theta_min      2.23
_cell_volume                     6560.3(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 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            43109
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         0.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.030
_exptl_absorpt_correction_T_max  0.6526
_exptl_absorpt_correction_T_min  0.3697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_description       prism
_exptl_crystal_F_000             4220
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.882
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         26252
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0463
_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)+(0.0729P)²+21.2381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1330
_refine_ls_wR_factor_ref         0.1482
_reflns_number_gt                20049
_reflns_number_total             26252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102453q_si_001_3.cif
_cod_data_source_block           3
_cod_database_code               4324707
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 0.40873(4) 0.36601(3) 0.29552(3) 0.05696(14) Uani 1 1 d . A .
Ag2 Ag 0.59994(4) 0.47930(3) 0.24311(3) 0.06128(15) Uani 1 1 d . A .
Ag3 Ag 0.43448(4) 0.32379(3) 0.11974(2) 0.05203(13) Uani 1 1 d . A .
Ag4 Ag 0.31669(4) 0.17022(4) 0.22504(3) 0.06117(16) Uani 1 1 d . A .
Ag5 Ag 0.37880(5) 0.16181(4) 0.39175(3) 0.07283(19) Uani 1 1 d . . .
Ag6 Ag 0.63852(5) 0.37881(4) 0.38484(3) 0.06824(17) Uani 1 1 d . A .
Ag7 Ag 0.78453(4) 0.39421(3) 0.27005(2) 0.05619(14) Uani 1 1 d . A .
Ag8 Ag 0.71982(5) 0.39558(4) 0.13409(3) 0.06311(16) Uani 1 1 d . . .
Ag9 Ag 0.49183(5) 0.17390(4) 0.11008(3) 0.06303(16) Uani 1 1 d . A .
Ag10 Ag 0.53938(5) 0.05812(5) 0.24996(3) 0.07133(19) Uani 1 1 d . . .
A11A Ag 0.59884(16) 0.18540(14) 0.38848(10) 0.0730(6) Uani 0.50 1 d P A 1
A11B Ag 0.55809(16) 0.16475(12) 0.37297(10) 0.0699(5) Uani 0.50 1 d P A 2
Ag12 Ag 0.70874(5) 0.17759(3) 0.22024(3) 0.06306(16) Uani 1 1 d . A .
Ag13 Ag 0.77306(4) 0.52864(3) 0.34822(2) 0.05402(14) Uani 1 1 d . A .
Ag14 Ag 0.70061(4) 0.20949(3) 0.08371(3) 0.05890(15) Uani 1 1 d . . .
Ag15 Ag 0.24771(4) 0.29543(3) 0.19080(2) 0.04841(13) Uani 1 1 d . A .
Ag16 Ag 0.48048(4) 0.01037(3) 0.41925(2) 0.05507(14) Uani 1 1 d . . .
S1 S 0.69677(13) 0.14874(9) 0.32945(8) 0.0508(4) Uani 1 1 d . . .
S2 S 0.55844(12) -0.02546(9) 0.33302(7) 0.0450(4) Uani 1 1 d . A .
S3 S 0.51516(12) 0.23890(9) 0.45615(7) 0.0475(4) Uani 1 1 d . A .
S4 S 0.41335(13) -0.09613(10) 0.50322(7) 0.0511(4) Uani 1 1 d . . .
S5 S 0.40881(11) 0.10410(9) 0.28236(7) 0.0420(3) Uani 1 1 d . A .
S6 S 0.32155(13) 0.02028(10) 0.40086(8) 0.0528(4) Uani 1 1 d . A .
S7 S 0.73847(13) 0.10759(10) 0.13339(8) 0.0505(4) Uani 1 1 d . A .
S8 S 0.50829(13) 0.04458(10) 0.14338(7) 0.0498(4) Uani 1 1 d . A .
S9 S 0.81481(13) 0.33209(10) 0.08768(8) 0.0517(4) Uani 1 1 d . A .
S10 S 0.84432(12) 0.29448(10) 0.23360(7) 0.0482(4) Uani 1 1 d . . .
S11 S 0.81423(15) 0.49303(12) 0.44879(8) 0.0610(5) Uani 1 1 d . . .
S12 S 0.76506(13) 0.33207(10) 0.37337(8) 0.0539(4) Uani 1 1 d . . .
S13 S 0.64161(12) 0.57373(9) 0.32415(7) 0.0454(4) Uani 1 1 d . . .
S14 S 0.51030(12) 0.42121(9) 0.38957(7) 0.0495(4) Uani 1 1 d . . .
S15 S 0.16472(12) 0.18409(9) 0.24091(7) 0.0466(4) Uani 1 1 d . A .
S16 S 0.31222(12) 0.26034(10) 0.36071(8) 0.0500(4) Uani 1 1 d . A .
S17 S 0.57283(12) 0.36441(10) 0.06310(7) 0.0503(4) Uani 1 1 d . A .
S18 S 0.56363(14) 0.19199(9) 0.01437(7) 0.0507(4) Uani 1 1 d . A .
S19 S 0.72316(11) 0.52121(10) 0.16322(7) 0.0464(4) Uani 1 1 d . . .
S20 S 0.88366(12) 0.52344(10) 0.27518(7) 0.0494(4) Uani 1 1 d . . .
S21 S 0.29376(12) 0.41643(9) 0.24286(7) 0.0436(3) Uani 1 1 d . . .
S22 S 0.47711(11) 0.46150(9) 0.15995(8) 0.0461(4) Uani 1 1 d . . .
S23 S 0.27167(12) 0.27874(9) 0.08406(7) 0.0451(4) Uani 1 1 d . . .
S24 S 0.32592(13) 0.12427(10) 0.12204(8) 0.0536(4) Uani 1 1 d . . .
P1 P 0.68337(13) 0.04360(10) 0.34394(7) 0.0454(4) Uani 1 1 d . A .
P2 P 0.53164(12) 0.17183(9) 0.51888(7) 0.0420(4) Uani 1 1 d . . .
P3 P 0.31591(12) 0.01812(9) 0.31365(8) 0.0428(4) Uani 1 1 d . . .
P4 P 0.61960(13) 0.03137(9) 0.11381(7) 0.0435(4) Uani 1 1 d . . .
P5 P 0.89609(12) 0.32196(9) 0.15656(8) 0.0444(4) Uani 1 1 d . A .
P6 P 0.85372(13) 0.40991(10) 0.42502(7) 0.0488(4) Uani 1 1 d . A .
P7 P 0.56348(12) 0.52960(9) 0.38871(7) 0.0432(4) Uani 1 1 d . A .
P8 P 0.18640(11) 0.21399(9) 0.32650(7) 0.0395(3) Uani 1 1 d . . .
P9 P 0.57434(13) 0.29545(10) -0.00220(7) 0.0459(4) Uani 1 1 d . . .
P10 P 0.84648(12) 0.56594(9) 0.20197(7) 0.0429(4) Uani 1 1 d . A .
P11 P 0.36053(11) 0.47499(8) 0.17887(7) 0.0376(3) Uani 1 1 d . A .
P12 P 0.24624(12) 0.17057(9) 0.07669(7) 0.0423(4) Uani 1 1 d . A .
P13 P 0.8893(2) 0.82097(18) 0.39997(14) 0.0917(8) Uani 1 1 d . . .
P14 P 0.9270(2) 0.17055(18) 0.90512(16) 0.0976(9) Uani 1 1 d . . .
Cr1 Cr 0.55401(7) 0.28629(5) 0.23995(4) 0.0387(2) Uani 1 1 d . A .
O1 O 0.7480(4) 0.0275(3) 0.2993(2) 0.0642(14) Uani 1 1 d . . .
O2 O 0.7199(3) 0.0335(3) 0.4076(2) 0.0601(13) Uani 1 1 d . . .
O3 O 0.5940(4) 0.2241(3) 0.5686(2) 0.0634(14) Uani 1 1 d . A .
O4 O 0.4405(4) 0.1317(3) 0.5452(2) 0.0553(12) Uani 1 1 d . A .
O5 O 0.8789(5) 0.3780(4) 0.4846(2) 0.0784(18) Uani 1 1 d . . .
O6 O 0.9415(4) 0.4307(3) 0.3896(2) 0.0659(14) Uani 1 1 d . . .
O7 O 0.6160(4) 0.5527(2) 0.4504(2) 0.0534(12) Uani 1 1 d . . .
O8 O 0.4854(4) 0.5652(3) 0.3837(2) 0.0575(13) Uani 1 1 d . . .
O9 O 0.2920(3) 0.4578(2) 0.12265(19) 0.0445(10) Uani 1 1 d . . .
O10 O 0.3724(4) 0.5579(2) 0.1919(2) 0.0533(12) Uani 1 1 d . . .
O11 O 0.1347(3) 0.2695(3) 0.3413(2) 0.0552(12) Uani 1 1 d . A .
O12 O 0.1408(3) 0.1415(2) 0.3574(2) 0.0487(11) Uani 1 1 d . A .
O13 O 0.9431(4) 0.2634(3) 0.1433(2) 0.0683(16) Uani 1 1 d . . .
O14 O 0.9699(3) 0.3986(3) 0.1620(2) 0.0548(12) Uani 1 1 d . . .
O15 O 0.4943(5) 0.2885(4) -0.0503(2) 0.083(2) Uani 1 1 d . A .
O16 O 0.6646(4) 0.3325(3) -0.0320(2) 0.0608(14) Uani 1 1 d . A .
O17 O 0.2486(3) 0.1475(3) 0.0107(2) 0.0551(12) Uani 1 1 d . . .
O18 O 0.1461(3) 0.1390(2) 0.0938(2) 0.0484(11) Uani 1 1 d . . .
O19 O 0.2226(3) 0.0202(3) 0.2856(2) 0.0516(11) Uani 1 1 d . A .
O20 O 0.3270(3) -0.0562(3) 0.2916(2) 0.0547(12) Uani 1 1 d . A .
O21 O 0.9213(3) 0.5644(4) 0.1602(2) 0.0665(15) Uani 1 1 d . . .
O22 O 0.8624(6) 0.6465(3) 0.2122(3) 0.100(2) Uani 1 1 d . . .
O23 O 0.5952(4) 0.0202(3) 0.0464(2) 0.0586(13) Uani 1 1 d . A .
O24 O 0.6352(3) -0.0397(2) 0.1374(2) 0.0539(12) Uani 1 1 d . A .
O25 O 0.6287(3) 0.3654(2) 0.2322(2) 0.0467(10) Uani 1 1 d . . .
O26 O 0.5773(4) 0.2242(3) 0.1999(2) 0.0567(12) Uani 1 1 d . . .
O27 O 0.5598(3) 0.2663(3) 0.3072(2) 0.0538(12) Uani 1 1 d . . .
O28 O 0.4520(3) 0.2894(2) 0.22169(19) 0.0418(9) Uani 1 1 d . . .
C1 C 0.7642(8) -0.0423(5) 0.2950(5) 0.081(3) Uani 1 1 d . A .
H1A H 0.7078 -0.0809 0.2866 0.097 Uiso 1 1 calc R . .
H1B H 0.7931 -0.0520 0.3314 0.097 Uiso 1 1 calc R . .
C2 C 0.8250(8) -0.0372(6) 0.2454(5) 0.095(3) Uani 1 1 d . . .
H2A H 0.8379 -0.0823 0.2407 0.142 Uiso 1 1 calc R A .
H2B H 0.8803 0.0013 0.2542 0.142 Uiso 1 1 calc R . .
H2C H 0.7954 -0.0276 0.2097 0.142 Uiso 1 1 calc R . .
C3 C 0.8098(7) 0.0755(9) 0.4307(5) 0.123(5) Uani 1 1 d . A .
H3A H 0.8530 0.0644 0.4065 0.148 Uiso 1 1 calc R . .
H3B H 0.8160 0.1266 0.4266 0.148 Uiso 1 1 calc R . .
C4 C 0.8308(9) 0.0658(12) 0.4837(6) 0.178(10) Uani 1 1 d . . .
H4A H 0.8912 0.0961 0.4945 0.267 Uiso 1 1 calc R A .
H4B H 0.8273 0.0159 0.4883 0.267 Uiso 1 1 calc R . .
H4C H 0.7899 0.0780 0.5085 0.267 Uiso 1 1 calc R . .
C5 C 0.6338(9) 0.1985(7) 0.6198(5) 0.107(4) Uani 1 1 d D . .
H5A H 0.6668 0.1667 0.6071 0.128 Uiso 1 1 calc R A 1
H5B H 0.5861 0.1706 0.6431 0.128 Uiso 1 1 calc R A 1
C6 C 0.698(4) 0.262(3) 0.658(3) 0.14(2) Uiso 0.25 1 d PD A 1
H6A H 0.7238 0.2428 0.6911 0.211 Uiso 0.25 1 calc PR A 1
H6B H 0.6651 0.2924 0.6721 0.211 Uiso 0.25 1 calc PR A 1
H6C H 0.7454 0.2895 0.6354 0.211 Uiso 0.25 1 calc PR A 1
C6' C 0.7350(12) 0.2169(19) 0.6124(15) 0.220(14) Uiso 0.75 1 d PD A 2
H6'A H 0.7454 0.1810 0.5868 0.330 Uiso 0.75 1 calc PR A 2
H6'B H 0.7665 0.2174 0.6500 0.330 Uiso 0.75 1 calc PR A 2
H6'C H 0.7566 0.2638 0.5957 0.330 Uiso 0.75 1 calc PR A 2
C7 C 0.3740(6) 0.1658(5) 0.5619(4) 0.068(2) Uani 1 1 d . . .
H7A H 0.3178 0.1283 0.5676 0.082 Uiso 1 1 calc R A .
H7B H 0.3626 0.1951 0.5300 0.082 Uiso 1 1 calc R . .
C8 C 0.4026(8) 0.2118(5) 0.6158(4) 0.083(3) Uani 1 1 d . A .
H8A H 0.3565 0.2328 0.6246 0.124 Uiso 1 1 calc R . .
H8B H 0.4576 0.2497 0.6101 0.124 Uiso 1 1 calc R . .
H8C H 0.4126 0.1829 0.6477 0.124 Uiso 1 1 calc R . .
C9 C 0.8977(10) 0.3090(9) 0.4855(8) 0.133(5) Uiso 1 1 d D A .
H9A H 0.8671 0.2787 0.4516 0.159 Uiso 1 1 calc R B 1
H9B H 0.8763 0.2837 0.5207 0.159 Uiso 1 1 calc R B 1
C10 C 0.9998(12) 0.3245(18) 0.4847(15) 0.136(10) Uiso 0.50 1 d PD A 1
H10A H 1.0172 0.3328 0.4452 0.205 Uiso 0.50 1 calc PR A 1
H10B H 1.0161 0.2836 0.4993 0.205 Uiso 0.50 1 calc PR A 1
H10C H 1.0303 0.3667 0.5092 0.205 Uiso 0.50 1 calc PR A 1
C10' C 0.957(3) 0.309(3) 0.5418(14) 0.21(2) Uiso 0.50 1 d PD A 2
H10D H 0.9201 0.2983 0.5746 0.317 Uiso 0.50 1 calc PR A 2
H10E H 1.0018 0.3552 0.5482 0.317 Uiso 0.50 1 calc PR A 2
H10F H 0.9862 0.2720 0.5377 0.317 Uiso 0.50 1 calc PR A 2
C11 C 1.0219(7) 0.4891(7) 0.4118(5) 0.096(4) Uani 1 1 d . A .
H11A H 1.0107 0.5355 0.4088 0.115 Uiso 1 1 calc R . .
H11B H 1.0365 0.4821 0.4528 0.115 Uiso 1 1 calc R . .
C12 C 1.0970(8) 0.4886(11) 0.3773(6) 0.163(8) Uani 1 1 d . . .
H12A H 1.1497 0.5274 0.3912 0.244 Uiso 1 1 calc R A .
H12B H 1.0820 0.4951 0.3368 0.244 Uiso 1 1 calc R . .
H12C H 1.1088 0.4431 0.3812 0.244 Uiso 1 1 calc R . .
C13 C 0.6613(8) 0.6301(5) 0.4680(4) 0.089(3) Uani 1 1 d . A .
H13A H 0.6822 0.6572 0.4336 0.107 Uiso 1 1 calc R . .
H13B H 0.6184 0.6502 0.4850 0.107 Uiso 1 1 calc R . .
C14 C 0.7358(8) 0.6374(6) 0.5096(6) 0.101(4) Uani 1 1 d . . .
H14A H 0.7636 0.6877 0.5205 0.152 Uiso 1 1 calc R A .
H14B H 0.7789 0.6186 0.4924 0.152 Uiso 1 1 calc R . .
H14C H 0.7150 0.6108 0.5438 0.152 Uiso 1 1 calc R . .
C15 C 0.4181(10) 0.5510(9) 0.4272(6) 0.131(6) Uani 1 1 d . A .
H15A H 0.3931 0.4989 0.4304 0.158 Uiso 1 1 calc R . .
H15B H 0.4483 0.5706 0.4650 0.158 Uiso 1 1 calc R . .
C16 C 0.3524(9) 0.5770(12) 0.4168(7) 0.163(8) Uani 1 1 d . . .
H16A H 0.3105 0.5625 0.4467 0.244 Uiso 1 1 calc R A .
H16B H 0.3224 0.5589 0.3791 0.244 Uiso 1 1 calc R . .
H16C H 0.3754 0.6290 0.4169 0.244 Uiso 1 1 calc R . .
C17 C 0.3199(7) 0.4890(5) 0.0663(3) 0.073(3) Uani 1 1 d . A .
H17A H 0.3373 0.5415 0.0699 0.087 Uiso 1 1 calc R . .
H17B H 0.3716 0.4754 0.0551 0.087 Uiso 1 1 calc R . .
C18 C 0.2480(10) 0.4631(7) 0.0234(5) 0.126(6) Uani 1 1 d . . .
H18A H 0.2663 0.4831 -0.0137 0.190 Uiso 1 1 calc R A .
H18B H 0.1975 0.4775 0.0344 0.190 Uiso 1 1 calc R . .
H18C H 0.2310 0.4112 0.0201 0.190 Uiso 1 1 calc R . .
C19 C 0.4263(8) 0.5973(5) 0.2424(4) 0.085(3) Uani 1 1 d . A .
H19A H 0.4091 0.5696 0.2772 0.102 Uiso 1 1 calc R . .
H19B H 0.4893 0.6028 0.2378 0.102 Uiso 1 1 calc R . .
C20 C 0.4157(14) 0.6661(7) 0.2503(7) 0.164(8) Uani 1 1 d . . .
H20A H 0.4527 0.6905 0.2842 0.247 Uiso 1 1 calc R A .
H20B H 0.3537 0.6608 0.2558 0.247 Uiso 1 1 calc R . .
H20C H 0.4337 0.6939 0.2162 0.247 Uiso 1 1 calc R . .
C21 C 0.0429(6) 0.2629(6) 0.3168(4) 0.076(3) Uani 1 1 d . . .
H21A H 0.0325 0.3094 0.3218 0.091 Uiso 1 1 calc R A .
H21B H 0.0391 0.2518 0.2750 0.091 Uiso 1 1 calc R . .
C22 C -0.0263(8) 0.2093(9) 0.3424(8) 0.154(7) Uani 1 1 d . A .
H22A H -0.0838 0.2086 0.3243 0.231 Uiso 1 1 calc R . .
H22B H -0.0241 0.2202 0.3837 0.231 Uiso 1 1 calc R . .
H22C H -0.0180 0.1627 0.3365 0.231 Uiso 1 1 calc R . .
C23 C 0.1360(6) 0.1395(5) 0.4216(3) 0.062(2) Uani 1 1 d . . .
H23A H 0.1161 0.1791 0.4357 0.075 Uiso 1 1 calc R A .
H23B H 0.1949 0.1443 0.4408 0.075 Uiso 1 1 calc R . .
C24 C 0.0710(9) 0.0692(5) 0.4349(5) 0.097(4) Uani 1 1 d . A .
H24A H 0.0663 0.0664 0.4765 0.145 Uiso 1 1 calc R . .
H24B H 0.0915 0.0305 0.4210 0.145 Uiso 1 1 calc R . .
H24C H 0.0130 0.0651 0.4157 0.145 Uiso 1 1 calc R . .
C25 C 0.9751(10) 0.2507(6) 0.0856(5) 0.106(4) Uani 1 1 d . A .
H25A H 0.9254 0.2415 0.0558 0.128 Uiso 1 1 calc R . .
H25B H 0.9949 0.2080 0.0871 0.128 Uiso 1 1 calc R . .
C26 C 1.0507(10) 0.3137(10) 0.0689(6) 0.137(6) Uani 1 1 d . . .
H26A H 1.0688 0.3037 0.0312 0.205 Uiso 1 1 calc R A .
H26B H 1.1008 0.3219 0.0977 0.205 Uiso 1 1 calc R . .
H26C H 1.0313 0.3561 0.0672 0.205 Uiso 1 1 calc R . .
C27 C 1.0426(5) 0.4178(5) 0.2092(4) 0.070(2) Uani 1 1 d . A .
H27A H 1.0761 0.3832 0.2092 0.084 Uiso 1 1 calc R . .
H27B H 1.0176 0.4175 0.2470 0.084 Uiso 1 1 calc R . .
C28 C 1.1029(5) 0.4918(5) 0.1980(5) 0.077(3) Uani 1 1 d . . .
H28A H 1.1511 0.5061 0.2282 0.116 Uiso 1 1 calc R A .
H28B H 1.0690 0.5255 0.1980 0.116 Uiso 1 1 calc R . .
H28C H 1.1273 0.4913 0.1605 0.116 Uiso 1 1 calc R . .
C29 C 0.4623(11) 0.3440(7) -0.0695(6) 0.124(5) Uani 1 1 d . . .
H29A H 0.4783 0.3811 -0.0382 0.148 Uiso 1 1 calc R A .
H29B H 0.4965 0.3649 -0.1024 0.148 Uiso 1 1 calc R . .
C30 C 0.3765(11) 0.3329(10) -0.0860(11) 0.212(12) Uani 1 1 d . A .
H30A H 0.3680 0.3775 -0.0985 0.318 Uiso 1 1 calc R . .
H30B H 0.3405 0.3155 -0.0535 0.318 Uiso 1 1 calc R . .
H30C H 0.3584 0.2974 -0.1179 0.318 Uiso 1 1 calc R . .
C31 C 0.6993(9) 0.2936(6) -0.0760(5) 0.095(4) Uani 1 1 d . . .
H31A H 0.7176 0.2551 -0.0575 0.114 Uiso 1 1 calc R A .
H31B H 0.6519 0.2717 -0.1064 0.114 Uiso 1 1 calc R . .
C32 C 0.7713(10) 0.3402(8) -0.1007(6) 0.129(5) Uani 1 1 d . A .
H32A H 0.7927 0.3143 -0.1295 0.194 Uiso 1 1 calc R . .
H32B H 0.8187 0.3610 -0.0707 0.194 Uiso 1 1 calc R . .
H32C H 0.7531 0.3782 -0.1191 0.194 Uiso 1 1 calc R . .
C33 C 0.1849(6) 0.1603(5) -0.0343(3) 0.067(2) Uani 1 1 d . A .
H33A H 0.1961 0.2120 -0.0385 0.080 Uiso 1 1 calc R . .
H33B H 0.1236 0.1392 -0.0233 0.080 Uiso 1 1 calc R . .
C34 C 0.1972(7) 0.1267(6) -0.0899(4) 0.080(3) Uani 1 1 d . . .
H34A H 0.1556 0.1342 -0.1201 0.120 Uiso 1 1 calc R A .
H34B H 0.1861 0.0756 -0.0853 0.120 Uiso 1 1 calc R . .
H34C H 0.2578 0.1484 -0.1006 0.120 Uiso 1 1 calc R . .
C35 C 0.1029(6) 0.0602(4) 0.0971(5) 0.078(3) Uani 1 1 d . A .
H35A H 0.1297 0.0413 0.1302 0.094 Uiso 1 1 calc R . .
H35B H 0.1100 0.0353 0.0614 0.094 Uiso 1 1 calc R . .
C36 C 0.0043(7) 0.0496(6) 0.1045(7) 0.119(5) Uani 1 1 d . . .
H36A H -0.0269 -0.0011 0.1076 0.178 Uiso 1 1 calc R A .
H36B H -0.0214 0.0677 0.0711 0.178 Uiso 1 1 calc R . .
H36C H -0.0015 0.0754 0.1395 0.178 Uiso 1 1 calc R . .
C37 C 0.1386(5) -0.0330(5) 0.3031(4) 0.070(2) Uani 1 1 d . . .
H37A H 0.1446 -0.0813 0.3024 0.084 Uiso 1 1 calc R A .
H37B H 0.1273 -0.0212 0.3427 0.084 Uiso 1 1 calc R . .
C38 C 0.0639(7) -0.0307(6) 0.2623(6) 0.108(4) Uani 1 1 d . A .
H38A H 0.0090 -0.0649 0.2735 0.163 Uiso 1 1 calc R . .
H38B H 0.0752 -0.0429 0.2233 0.163 Uiso 1 1 calc R . .
H38C H 0.0582 0.0172 0.2634 0.163 Uiso 1 1 calc R . .
C39 C 0.3115(7) -0.0762(5) 0.2298(4) 0.072(2) Uani 1 1 d . . .
H39A H 0.3436 -0.0356 0.2071 0.086 Uiso 1 1 calc R A .
H39B H 0.2477 -0.0884 0.2181 0.086 Uiso 1 1 calc R . .
C40 C 0.3430(10) -0.1390(7) 0.2178(6) 0.112(4) Uani 1 1 d . A .
H40A H 0.3317 -0.1525 0.1768 0.168 Uiso 1 1 calc R . .
H40B H 0.3112 -0.1790 0.2404 0.168 Uiso 1 1 calc R . .
H40C H 0.4065 -0.1263 0.2285 0.168 Uiso 1 1 calc R . .
C41 C 0.9248(7) 0.5924(6) 0.1010(4) 0.078(3) Uani 1 1 d . A .
H41A H 0.9602 0.6433 0.1020 0.094 Uiso 1 1 calc R . .
H41B H 0.8644 0.5878 0.0845 0.094 Uiso 1 1 calc R . .
C42 C 0.9668(9) 0.5493(9) 0.0647(5) 0.117(5) Uani 1 1 d . . .
H42A H 0.9706 0.5669 0.0256 0.175 Uiso 1 1 calc R A .
H42B H 0.9307 0.4992 0.0635 0.175 Uiso 1 1 calc R . .
H42C H 1.0262 0.5538 0.0816 0.175 Uiso 1 1 calc R . .
C43 C 0.8235(14) 0.6855(11) 0.2358(9) 0.164(7) Uiso 1 1 d . A .
H43A H 0.8446 0.6921 0.2770 0.197 Uiso 1 1 calc R . .
H43B H 0.7596 0.6588 0.2339 0.197 Uiso 1 1 calc R . .
C44 C 0.8328(15) 0.7566(11) 0.2129(10) 0.181(8) Uiso 1 1 d . . .
H44A H 0.7987 0.7801 0.2349 0.272 Uiso 1 1 calc R A .
H44B H 0.8107 0.7515 0.1724 0.272 Uiso 1 1 calc R . .
H44C H 0.8953 0.7852 0.2163 0.272 Uiso 1 1 calc R . .
C45 C 0.6553(8) 0.0000(6) 0.0058(4) 0.085(3) Uani 1 1 d . . .
H45A H 0.7080 -0.0052 0.0277 0.102 Uiso 1 1 calc R A .
H45B H 0.6235 -0.0458 -0.0147 0.102 Uiso 1 1 calc R . .
C46 C 0.6814(8) 0.0556(6) -0.0348(5) 0.097(4) Uani 1 1 d . A .
H46A H 0.7200 0.0436 -0.0616 0.146 Uiso 1 1 calc R . .
H46B H 0.7133 0.1005 -0.0142 0.146 Uiso 1 1 calc R . .
H46C H 0.6288 0.0604 -0.0563 0.146 Uiso 1 1 calc R . .
C47 C 0.5659(6) -0.1109(4) 0.1277(5) 0.074(2) Uani 1 1 d . . .
H47A H 0.5064 -0.1049 0.1242 0.089 Uiso 1 1 calc R A .
H47B H 0.5748 -0.1341 0.0917 0.089 Uiso 1 1 calc R . .
C48 C 0.5729(7) -0.1557(5) 0.1772(5) 0.085(3) Uani 1 1 d . A .
H48A H 0.5282 -0.2024 0.1713 0.128 Uiso 1 1 calc R . .
H48B H 0.5634 -0.1327 0.2127 0.128 Uiso 1 1 calc R . .
H48C H 0.6319 -0.1615 0.1804 0.128 Uiso 1 1 calc R . .
F1 F 0.8684(8) 0.7362(5) 0.3902(4) 0.157(4) Uani 1 1 d . . .
F2 F 0.8136(6) 0.8068(6) 0.4429(4) 0.155(4) Uani 1 1 d . . .
F3 F 0.9539(7) 0.8216(7) 0.4543(5) 0.180(5) Uani 1 1 d . . .
F4 F 0.8214(9) 0.8195(7) 0.3468(4) 0.182(5) Uani 1 1 d . . .
F5 F 0.9635(9) 0.8300(8) 0.3573(7) 0.233(7) Uani 1 1 d . . .
F6 F 0.9064(12) 0.9015(5) 0.4088(6) 0.235(7) Uani 1 1 d . . .
F7 F 1.0163(7) 0.2266(5) 0.9288(6) 0.193(5) Uani 1 1 d . . .
F8 F 0.9914(9) 0.1371(9) 0.8721(6) 0.218(6) Uani 1 1 d . . .
F9 F 0.9306(8) 0.1233(6) 0.9579(4) 0.172(4) Uani 1 1 d . . .
F10 F 0.9249(9) 0.2180(8) 0.8518(7) 0.252(8) Uani 1 1 d . . .
F11 F 0.8471(7) 0.1104(7) 0.8784(4) 0.199(6) Uani 1 1 d . . .
F12 F 0.8683(10) 0.2025(8) 0.9399(6) 0.218(6) Uani 1 1 d . . .
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'
Cr Cr 0.3209 0.6236 '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 106.59(11) . .
O28 Ag1 S14 122.66(11) . .
S21 Ag1 S14 126.40(6) . .
O28 Ag1 S16 98.59(11) . .
S21 Ag1 S16 105.02(6) . .
S14 Ag1 S16 88.31(6) . .
O28 Ag1 Ag15 66.78(10) . .
S21 Ag1 Ag15 48.27(4) . .
S14 Ag1 Ag15 169.25(5) . .
S16 Ag1 Ag15 84.91(4) . .
O25 Ag2 S13 131.99(12) . .
O25 Ag2 S22 98.65(11) . .
S13 Ag2 S22 127.57(6) . .
O25 Ag2 S19 83.33(12) . .
S13 Ag2 S19 107.44(6) . .
S22 Ag2 S19 88.35(6) . .
O28 Ag3 S23 109.47(11) . .
O28 Ag3 S17 118.16(11) . .
S23 Ag3 S17 130.09(6) . .
O28 Ag3 S22 87.77(11) . .
S23 Ag3 S22 109.92(6) . .
S17 Ag3 S22 86.72(6) . .
O28 Ag3 Ag9 75.24(10) . .
S23 Ag3 Ag9 101.31(4) . .
S17 Ag3 Ag9 78.16(5) . .
S22 Ag3 Ag9 148.02(4) . .
O28 Ag3 Ag15 66.67(10) . .
S23 Ag3 Ag15 48.71(4) . .
S17 Ag3 Ag15 171.02(5) . .
S22 Ag3 Ag15 85.92(4) . .
Ag9 Ag3 Ag15 110.76(2) . .
S15 Ag4 S5 131.06(6) . .
S15 Ag4 S24 112.56(6) . .
S5 Ag4 S24 99.91(6) . .
S15 Ag4 Ag15 52.21(4) . .
S5 Ag4 Ag15 157.55(5) . .
S24 Ag4 Ag15 97.22(4) . .
S16 Ag5 S3 98.97(6) . .
S16 Ag5 S6 137.13(6) . .
S3 Ag5 S6 120.31(6) . .
S16 Ag5 Ag11 123.93(7) . .
S3 Ag5 Ag11 57.51(7) . .
S6 Ag5 Ag11 93.46(7) . .
S16 Ag5 S5 102.64(6) . .
S3 Ag5 S5 118.40(6) . .
S6 Ag5 S5 74.70(5) . .
Ag11 Ag5 S5 62.53(6) . .
S16 Ag5 A11A 121.18(7) . .
S3 Ag5 A11A 47.95(6) . .
S6 Ag5 A11A 99.03(7) . .
Ag11 Ag5 A11A 9.57(7) . .
S5 Ag5 A11A 71.73(5) . .
S14 Ag6 S12 176.10(7) . .
S14 Ag6 Ag13 95.83(5) . .
S12 Ag6 Ag13 84.79(5) . .
O25 Ag7 S20 119.59(11) . .
O25 Ag7 S10 107.67(12) . .
S20 Ag7 S10 120.00(6) . .
O25 Ag7 S12 100.95(12) . .
S20 Ag7 S12 114.13(6) . .
S10 Ag7 S12 88.83(6) . .
O25 Ag7 Ag13 92.42(11) . .
S20 Ag7 Ag13 50.28(5) . .
S10 Ag7 Ag13 158.97(5) . .
S12 Ag7 Ag13 81.12(4) . .
O25 Ag7 Ag8 55.41(11) . .
S20 Ag7 Ag8 94.78(4) . .
S10 Ag7 Ag8 82.75(4) . .
S12 Ag7 Ag8 150.10(5) . .
Ag13 Ag7 Ag8 114.74(2) . .
S9 Ag8 S19 139.83(7) . .
S9 Ag8 S17 104.04(6) . .
S19 Ag8 S17 96.78(6) . .
S9 Ag8 Ag7 101.17(5) . .
S19 Ag8 Ag7 81.84(4) . .
S17 Ag8 Ag7 141.34(5) . .
O26 Ag9 S18 120.78(14) . .
O26 Ag9 S24 112.78(14) . .
S18 Ag9 S24 125.57(6) . .
O26 Ag9 S8 86.70(13) . .
S18 Ag9 S8 102.92(6) . .
S24 Ag9 S8 88.53(6) . .
O26 Ag9 Ag14 73.87(13) . .
S18 Ag9 Ag14 50.18(5) . .
S24 Ag9 Ag14 169.66(5) . .
S8 Ag9 Ag14 83.87(4) . .
O26 Ag9 Ag3 81.43(12) . .
S18 Ag9 Ag3 99.95(5) . .
S24 Ag9 Ag3 78.28(5) . .
S8 Ag9 Ag3 157.13(4) . .
Ag14 Ag9 Ag3 111.14(2) . .
S8 Ag10 S2 135.60(7) . .
S8 Ag10 S5 102.12(6) . .
S2 Ag10 S5 103.07(5) . .
S8 Ag10 Ag12 83.93(5) . .
S2 Ag10 Ag12 116.72(5) . .
S5 Ag10 Ag12 114.78(5) . .
S1 A11A S3 171.65(12) . .
S1 A11A Ag5 138.46(10) . .
S3 A11A Ag5 49.42(6) . .
O27 Ag11 S1 91.25(15) . .
O27 Ag11 S3 87.67(15) . .
S1 Ag11 S3 140.13(12) . .
O27 Ag11 Ag5 85.29(14) . .
S1 Ag11 Ag5 163.86(11) . .
S3 Ag11 Ag5 55.60(6) . .
O27 Ag11 S5 74.51(13) . .
S1 Ag11 S5 105.10(10) . .
S3 Ag11 S5 112.90(9) . .
Ag5 Ag11 S5 58.78(6) . .
O27 Ag11 Ag16 154.85(15) . .
S1 Ag11 Ag16 98.29(8) . .
S3 Ag11 Ag16 99.34(8) . .
Ag5 Ag11 Ag16 79.09(6) . .
S5 Ag11 Ag16 80.54(7) . .
O26 Ag12 S7 112.98(12) . .
O26 Ag12 S1 101.57(13) . .
S7 Ag12 S1 131.79(6) . .
O26 Ag12 S10 103.27(13) . .
S7 Ag12 S10 106.02(6) . .
S1 Ag12 S10 97.13(6) . .
O26 Ag12 Ag10 72.65(13) . .
S7 Ag12 Ag10 94.56(5) . .
S1 Ag12 Ag10 64.21(5) . .
S10 Ag12 Ag10 158.71(5) . .
O26 Ag12 Ag14 73.13(12) . .
S7 Ag12 Ag14 50.14(4) . .
S1 Ag12 Ag14 173.84(5) . .
S10 Ag12 Ag14 87.27(4) . .
Ag10 Ag12 Ag14 110.64(3) . .
S20 Ag13 S13 122.79(6) . .
S20 Ag13 S11 113.12(7) . .
S13 Ag13 S11 123.94(7) . .
S20 Ag13 Ag6 117.29(5) . .
S13 Ag13 Ag6 89.63(4) . .
S11 Ag13 Ag6 67.26(6) . .
S20 Ag13 Ag7 50.38(5) . .
S13 Ag13 Ag7 116.66(4) . .
S11 Ag13 Ag7 100.92(5) . .
Ag6 Ag13 Ag7 67.52(2) . .
S9 Ag14 S7 119.41(6) . .
S9 Ag14 S18 116.29(6) . .
S7 Ag14 S18 123.41(6) . .
S9 Ag14 Ag12 98.52(4) . .
S7 Ag14 Ag12 51.17(4) . .
S18 Ag14 Ag12 128.17(5) . .
S9 Ag14 Ag9 126.00(5) . .
S7 Ag14 Ag9 100.72(5) . .
S18 Ag14 Ag9 49.91(5) . .
Ag12 Ag14 Ag9 78.86(2) . .
S15 Ag15 S21 120.85(6) . .
S15 Ag15 S23 116.08(6) . .
S21 Ag15 S23 122.94(6) . .
S15 Ag15 Ag4 53.12(5) . .
S21 Ag15 Ag4 124.95(4) . .
S23 Ag15 Ag4 91.96(4) . .
S15 Ag15 Ag1 98.37(4) . .
S21 Ag15 Ag1 49.60(4) . .
S23 Ag15 Ag1 125.51(5) . .
Ag4 Ag15 Ag1 75.83(2) . .
S15 Ag15 Ag3 127.81(5) . .
S21 Ag15 Ag3 96.02(4) . .
S23 Ag15 Ag3 48.13(4) . .
Ag4 Ag15 Ag3 76.05(2) . .
Ag1 Ag15 Ag3 77.502(19) . .
S4 Ag16 S6 117.80(7) 2_656 .
S4 Ag16 S2 114.82(6) 2_656 .
S6 Ag16 S2 119.19(6) . .
S4 Ag16 S4 92.11(6) 2_656 .
S6 Ag16 S4 88.83(6) . .
S2 Ag16 S4 117.61(6) . .
S4 Ag16 Ag11 68.46(6) 2_656 .
S6 Ag16 Ag11 89.23(6) . .
S2 Ag16 Ag11 83.31(6) . .
S4 Ag16 Ag11 156.72(6) . .
P1 S1 A11A 108.46(11) . .
P1 S1 Ag11 102.39(10) . .
A11A S1 Ag11 16.06(6) . .
P1 S1 Ag12 112.25(9) . .
A11A S1 Ag12 122.70(10) . .
Ag11 S1 Ag12 114.54(9) . .
P1 S2 Ag10 83.98(7) . .
P1 S2 Ag16 102.80(8) . .
Ag10 S2 Ag16 105.00(6) . .
P2 S3 A11A 90.31(10) . .
P2 S3 Ag5 103.81(8) . .
A11A S3 Ag5 82.63(8) . .
P2 S3 Ag11 93.66(9) . .
A11A S3 Ag11 15.74(6) . .
Ag5 S3 Ag11 66.89(7) . .
P2 S4 Ag16 108.33(9) 2_656 2_656
P2 S4 Ag16 101.40(9) 2_656 .
Ag16 S4 Ag16 87.89(6) 2_656 .
P3 S5 Ag4 104.19(8) . .
P3 S5 Ag10 106.87(8) . .
Ag4 S5 Ag10 129.76(7) . .
P3 S5 Ag5 78.33(7) . .
Ag4 S5 Ag5 92.51(5) . .
Ag10 S5 Ag5 131.71(6) . .
P3 S5 Ag11 109.83(9) . .
Ag4 S5 Ag11 127.95(8) . .
Ag10 S5 Ag11 75.28(6) . .
Ag5 S5 Ag11 58.68(6) . .
P3 S6 Ag16 97.98(9) . .
P3 S6 Ag5 84.53(8) . .
Ag16 S6 Ag5 93.78(7) . .
P4 S7 Ag14 97.09(8) . .
P4 S7 Ag12 103.56(9) . .
Ag14 S7 Ag12 78.68(5) . .
P4 S8 Ag10 104.37(9) . .
P4 S8 Ag9 109.93(9) . .
Ag10 S8 Ag9 104.78(7) . .
P5 S9 Ag8 101.49(9) . .
P5 S9 Ag14 100.14(9) . .
Ag8 S9 Ag14 95.89(7) . .
P5 S10 Ag7 108.69(9) . .
P5 S10 Ag12 109.89(9) . .
Ag7 S10 Ag12 106.99(7) . .
P6 S11 Ag13 98.01(9) . .
P6 S12 Ag6 94.96(9) . .
P6 S12 Ag7 100.58(9) . .
Ag6 S12 Ag7 87.88(7) . .
P7 S13 Ag2 105.00(9) . .
P7 S13 Ag13 99.91(8) . .
Ag2 S13 Ag13 85.53(6) . .
P7 S14 Ag6 103.63(9) . .
P7 S14 Ag1 113.16(9) . .
Ag6 S14 Ag1 104.63(7) . .
P8 S15 Ag15 103.79(8) . .
P8 S15 Ag4 98.37(8) . .
Ag15 S15 Ag4 74.67(5) . .
P8 S16 Ag5 108.72(9) . .
P8 S16 Ag1 113.12(8) . .
Ag5 S16 Ag1 118.21(7) . .
P9 S17 Ag3 113.67(10) . .
P9 S17 Ag8 112.08(10) . .
Ag3 S17 Ag8 110.80(7) . .
P9 S18 Ag9 102.95(9) . .
P9 S18 Ag14 100.37(9) . .
Ag9 S18 Ag14 79.91(5) . .
P10 S19 Ag8 104.17(9) . .
P10 S19 Ag2 111.13(9) . .
Ag8 S19 Ag2 95.21(6) . .
P10 S20 Ag13 106.07(9) . .
P10 S20 Ag7 104.45(8) . .
Ag13 S20 Ag7 79.34(5) . .
P11 S21 Ag15 97.93(8) . .
P11 S21 Ag1 104.29(8) . .
Ag15 S21 Ag1 82.13(5) . .
P11 S22 Ag2 118.00(9) . .
P11 S22 Ag3 105.14(8) . .
Ag2 S22 Ag3 107.24(6) . .
P12 S23 Ag3 103.31(8) . .
P12 S23 Ag15 101.48(8) . .
Ag3 S23 Ag15 83.16(5) . .
P12 S24 Ag9 116.86(10) . .
P12 S24 Ag4 100.44(9) . .
Ag9 S24 Ag4 101.36(7) . .
O2 P1 O1 108.5(3) . .
O2 P1 S2 106.4(2) . .
O1 P1 S2 112.5(3) . .
O2 P1 S1 111.5(2) . .
O1 P1 S1 101.6(2) . .
S2 P1 S1 116.26(11) . .
O4 P2 O3 107.6(3) . .
O4 P2 S4 106.7(2) . 2_656
O3 P2 S4 109.6(2) . 2_656
O4 P2 S3 111.5(2) . .
O3 P2 S3 104.0(2) . .
S4 P2 S3 117.07(11) 2_656 .
O19 P3 O20 106.1(3) . .
O19 P3 S6 112.6(2) . .
O20 P3 S6 108.3(2) . .
O19 P3 S5 105.66(19) . .
O20 P3 S5 111.7(2) . .
S6 P3 S5 112.24(11) . .
O23 P4 O24 108.1(3) . .
O23 P4 S8 102.4(2) . .
O24 P4 S8 110.8(2) . .
O23 P4 S7 112.5(2) . .
O24 P4 S7 103.6(2) . .
S8 P4 S7 119.27(11) . .
O13 P5 O14 108.6(3) . .
O13 P5 S10 104.0(2) . .
O14 P5 S10 110.7(2) . .
O13 P5 S9 111.3(3) . .
O14 P5 S9 102.8(2) . .
S10 P5 S9 119.30(12) . .
O5 P6 O6 106.5(4) . .
O5 P6 S11 104.9(3) . .
O6 P6 S11 114.6(3) . .
O5 P6 S12 110.8(3) . .
O6 P6 S12 103.1(2) . .
S11 P6 S12 116.59(12) . .
O7 P7 O8 107.8(3) . .
O7 P7 S13 110.8(2) . .
O8 P7 S13 103.9(2) . .
O7 P7 S14 105.30(19) . .
O8 P7 S14 109.6(2) . .
S13 P7 S14 119.08(11) . .
O12 P8 O11 108.0(3) . .
O12 P8 S16 110.8(2) . .
O11 P8 S16 104.8(2) . .
O12 P8 S15 102.9(2) . .
O11 P8 S15 110.4(2) . .
S16 P8 S15 119.52(11) . .
O16 P9 O15 106.9(4) . .
O16 P9 S17 104.7(2) . .
O15 P9 S17 111.0(2) . .
O16 P9 S18 110.2(2) . .
O15 P9 S18 103.2(3) . .
S17 P9 S18 120.13(11) . .
O22 P10 O21 102.6(4) . .
O22 P10 S19 109.0(3) . .
O21 P10 S19 111.7(2) . .
O22 P10 S20 109.9(3) . .
O21 P10 S20 102.7(2) . .
S19 P10 S20 119.45(11) . .
O9 P11 O10 101.6(2) . .
O9 P11 S22 110.3(2) . .
O10 P11 S22 110.7(2) . .
O9 P11 S21 105.77(19) . .
O10 P11 S21 108.9(2) . .
S22 P11 S21 118.14(10) . .
O18 P12 O17 107.5(3) . .
O18 P12 S24 110.6(2) . .
O17 P12 S24 105.3(2) . .
O18 P12 S23 103.9(2) . .
O17 P12 S23 109.6(2) . .
S24 P12 S23 119.48(11) . .
F6 P13 F5 94.0(9) . .
F6 P13 F3 90.3(7) . .
F5 P13 F3 93.2(8) . .
F6 P13 F2 89.5(8) . .
F5 P13 F2 176.5(8) . .
F3 P13 F2 86.5(6) . .
F6 P13 F4 90.0(7) . .
F5 P13 F4 89.0(8) . .
F3 P13 F4 177.9(7) . .
F2 P13 F4 91.4(6) . .
F6 P13 F1 178.3(9) . .
F5 P13 F1 87.0(7) . .
F3 P13 F1 91.1(6) . .
F2 P13 F1 89.5(6) . .
F4 P13 F1 88.6(6) . .
F11 P14 F12 92.7(8) . .
F11 P14 F9 89.0(6) . .
F12 P14 F9 86.6(8) . .
F11 P14 F7 172.5(8) . .
F12 P14 F7 94.8(8) . .
F9 P14 F7 90.3(6) . .
F11 P14 F10 91.4(8) . .
F12 P14 F10 94.2(9) . .
F9 P14 F10 179.1(8) . .
F7 P14 F10 89.1(7) . .
F11 P14 F8 89.2(8) . .
F12 P14 F8 176.8(8) . .
F9 P14 F8 90.9(8) . .
F7 P14 F8 83.3(7) . .
F10 P14 F8 88.3(9) . .
O27 Cr1 O25 108.2(2) . .
O27 Cr1 O28 108.8(2) . .
O25 Cr1 O28 110.6(2) . .
O27 Cr1 O26 108.7(3) . .
O25 Cr1 O26 109.8(3) . .
O28 Cr1 O26 110.8(2) . .
C1 O1 P1 122.4(6) . .
C3 O2 P1 121.5(6) . .
C5 O3 P2 123.4(6) . .
C7 O4 P2 125.0(5) . .
C9 O5 P6 121.2(8) . .
C11 O6 P6 120.2(6) . .
C13 O7 P7 121.6(5) . .
C15 O8 P7 120.3(6) . .
C17 O9 P11 120.7(5) . .
C19 O10 P11 122.0(5) . .
C21 O11 P8 123.6(5) . .
C23 O12 P8 121.3(5) . .
C25 O13 P5 124.8(6) . .
C27 O14 P5 122.2(5) . .
C29 O15 P9 126.4(7) . .
C31 O16 P9 122.0(6) . .
C33 O17 P12 120.5(5) . .
C35 O18 P12 121.0(5) . .
C37 O19 P3 119.6(5) . .
C39 O20 P3 119.3(5) . .
C41 O21 P10 123.3(6) . .
C43 O22 P10 136.8(13) . .
C45 O23 P4 122.0(5) . .
C47 O24 P4 121.6(5) . .
Cr1 O25 Ag2 124.3(3) . .
Cr1 O25 Ag7 122.7(2) . .
Ag2 O25 Ag7 102.57(16) . .
Cr1 O26 Ag9 122.3(3) . .
Cr1 O26 Ag12 125.3(3) . .
Ag9 O26 Ag12 112.28(19) . .
Cr1 O27 Ag11 143.0(3) . .
Cr1 O28 Ag3 112.5(2) . .
Cr1 O28 Ag1 109.5(2) . .
Ag3 O28 Ag1 114.40(16) . .
O1 C1 C2 106.1(8) . .
O1 C1 H1A 110.5 . .
C2 C1 H1A 110.5 . .
O1 C1 H1B 110.5 . .
C2 C1 H1B 110.5 . .
H1A C1 H1B 108.7 . .
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 116.3(11) . .
C4 C3 H3A 108.2 . .
O2 C3 H3A 108.2 . .
C4 C3 H3B 108.2 . .
O2 C3 H3B 108.2 . .
H3A C3 H3B 107.4 . .
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 . .
O3 C5 C6' 107.3(17) . .
O3 C5 C6 112(3) . .
C6' C5 C6 62(3) . .
O3 C5 H5A 109.2 . .
C6' C5 H5A 51.5 . .
C6 C5 H5A 109.2 . .
O3 C5 H5B 109.2 . .
C6' C5 H5B 142.7 . .
C6 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
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 . .
C5 C6' H6'A 109.5 . .
C5 C6' H6'B 109.5 . .
H6'A C6' H6'B 109.5 . .
C5 C6' H6'C 109.5 . .
H6'A C6' H6'C 109.5 . .
H6'B C6' H6'C 109.5 . .
O4 C7 C8 113.0(8) . .
O4 C7 H7A 109.0 . .
C8 C7 H7A 109.0 . .
O4 C7 H7B 109.0 . .
C8 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
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 108.1(17) . .
O5 C9 C10' 108(2) . .
C10 C9 C10' 58(2) . .
O5 C9 H9A 110.1 . .
C10 C9 H9A 110.1 . .
C10' C9 H9A 141.9 . .
O5 C9 H9B 110.1 . .
C10 C9 H9B 110.1 . .
C10' C9 H9B 55.1 . .
H9A C9 H9B 108.4 . .
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 . .
C9 C10' H10D 109.5 . .
C9 C10' H10E 109.5 . .
H10D C10' H10E 109.5 . .
C9 C10' H10F 109.5 . .
H10D C10' H10F 109.5 . .
H10E C10' H10F 109.5 . .
C12 C11 O6 109.1(9) . .
C12 C11 H11A 109.9 . .
O6 C11 H11A 109.9 . .
C12 C11 H11B 109.9 . .
O6 C11 H11B 109.9 . .
H11A C11 H11B 108.3 . .
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 110.9(8) . .
C14 C13 H13A 109.5 . .
O7 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
O7 C13 H13B 109.5 . .
H13A C13 H13B 108.0 . .
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 116.1(10) . .
C16 C15 H15A 108.3 . .
O8 C15 H15A 108.3 . .
C16 C15 H15B 108.3 . .
O8 C15 H15B 108.3 . .
H15A C15 H15B 107.4 . .
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 109.3(8) . .
C18 C17 H17A 109.8 . .
O9 C17 H17A 109.8 . .
C18 C17 H17B 109.8 . .
O9 C17 H17B 109.8 . .
H17A C17 H17B 108.3 . .
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 112.1(9) . .
C20 C19 H19A 109.2 . .
O10 C19 H19A 109.2 . .
C20 C19 H19B 109.2 . .
O10 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
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 114.5(9) . .
C22 C21 H21A 108.6 . .
O11 C21 H21A 108.6 . .
C22 C21 H21B 108.6 . .
O11 C21 H21B 108.6 . .
H21A C21 H21B 107.6 . .
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 107.5(7) . .
O12 C23 H23A 110.2 . .
C24 C23 H23A 110.2 . .
O12 C23 H23B 110.2 . .
C24 C23 H23B 110.2 . .
H23A C23 H23B 108.5 . .
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 . .
O13 C25 C26 112.0(11) . .
O13 C25 H25A 109.2 . .
C26 C25 H25A 109.2 . .
O13 C25 H25B 109.2 . .
C26 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 107.3(7) . .
O14 C27 H27A 110.3 . .
C28 C27 H27A 110.3 . .
O14 C27 H27B 110.3 . .
C28 C27 H27B 110.3 . .
H27A C27 H27B 108.5 . .
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 122.0(13) . .
C30 C29 H29A 106.8 . .
O15 C29 H29A 106.8 . .
C30 C29 H29B 106.8 . .
O15 C29 H29B 106.8 . .
H29A C29 H29B 106.7 . .
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 110.4(10) . .
C32 C31 H31A 109.6 . .
O16 C31 H31A 109.6 . .
C32 C31 H31B 109.6 . .
O16 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
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 . .
O17 C33 C34 108.1(7) . .
O17 C33 H33A 110.1 . .
C34 C33 H33A 110.1 . .
O17 C33 H33B 110.1 . .
C34 C33 H33B 110.1 . .
H33A C33 H33B 108.4 . .
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 106.2(8) . .
O18 C35 H35A 110.5 . .
C36 C35 H35A 110.5 . .
O18 C35 H35B 110.5 . .
C36 C35 H35B 110.5 . .
H35A C35 H35B 108.7 . .
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 108.9(8) . .
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 . .
O20 C39 C40 109.8(8) . .
O20 C39 H39A 109.7 . .
C40 C39 H39A 109.7 . .
O20 C39 H39B 109.7 . .
C40 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 107.6(9) . .
O21 C41 H41A 110.2 . .
C42 C41 H41A 110.2 . .
O21 C41 H41B 110.2 . .
C42 C41 H41B 110.2 . .
H41A C41 H41B 108.5 . .
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 . .
O22 C43 C44 118.7(19) . .
O22 C43 H43A 107.6 . .
C44 C43 H43A 107.6 . .
O22 C43 H43B 107.6 . .
C44 C43 H43B 107.6 . .
H43A C43 H43B 107.1 . .
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 108.1(9) . .
C46 C45 H45A 110.1 . .
O23 C45 H45A 110.1 . .
C46 C45 H45B 110.1 . .
O23 C45 H45B 110.1 . .
H45A C45 H45B 108.4 . .
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 108.7(8) . .
C48 C47 H47A 110.0 . .
O24 C47 H47A 110.0 . .
C48 C47 H47B 110.0 . .
O24 C47 H47B 110.0 . .
H47A C47 H47B 108.3 . .
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 O28 2.490(4) .
Ag1 S21 2.5416(17) .
Ag1 S14 2.5935(17) .
Ag1 S16 2.6758(18) .
Ag1 Ag15 3.3062(8) .
Ag2 O25 2.397(4) .
Ag2 S13 2.4927(18) .
Ag2 S22 2.5517(18) .
Ag2 S19 2.6879(18) .
Ag3 O28 2.452(4) .
Ag3 S23 2.4981(18) .
Ag3 S17 2.5110(19) .
Ag3 S22 2.6777(17) .
Ag3 Ag9 3.3014(9) .
Ag3 Ag15 3.3309(8) .
Ag4 S15 2.5175(19) .
Ag4 S5 2.5229(16) .
Ag4 S24 2.531(2) .
Ag4 Ag15 3.0355(8) .
Ag5 S16 2.5290(19) .
Ag5 S3 2.5511(19) .
Ag5 S6 2.627(2) .
Ag5 Ag11 2.844(2) .
Ag5 S5 2.8468(18) .
Ag5 A11A 3.331(3) .
Ag6 S14 2.395(2) .
Ag6 S12 2.441(2) .
Ag6 Ag13 3.1767(9) .
Ag7 O25 2.421(5) .
Ag7 S20 2.5037(19) .
Ag7 S10 2.5429(19) .
Ag7 S12 2.6564(19) .
Ag7 Ag13 3.1941(9) .
Ag7 Ag8 3.2056(8) .
Ag8 S9 2.475(2) .
Ag8 S19 2.4990(19) .
Ag8 S17 2.6275(19) .
Ag9 O26 2.395(5) .
Ag9 S18 2.5004(19) .
Ag9 S24 2.506(2) .
Ag9 S8 2.7115(18) .
Ag9 Ag14 3.2177(10) .
Ag10 S8 2.4451(18) .
Ag10 S2 2.5731(17) .
Ag10 S5 2.6065(18) .
Ag10 Ag12 3.0545(10) .
A11A S1 2.360(3) .
A11A S3 2.494(3) .
Ag11 O27 2.487(5) .
Ag11 S1 2.541(3) .
Ag11 S3 2.608(3) .
Ag11 S5 2.954(3) .
Ag11 Ag16 3.093(2) .
Ag12 O26 2.505(5) .
Ag12 S7 2.5336(19) .
Ag12 S1 2.5692(18) .
Ag12 S10 2.5803(19) .
Ag12 Ag14 3.1891(9) .
Ag13 S20 2.5000(19) .
Ag13 S13 2.5005(18) .
Ag13 S11 2.5081(19) .
Ag14 S9 2.4907(19) .
Ag14 S7 2.4966(18) .
Ag14 S18 2.5102(19) .
Ag15 S15 2.4874(17) .
Ag15 S21 2.4909(17) .
Ag15 S23 2.5208(18) .
Ag16 S4 2.5475(19) 2_656
Ag16 S6 2.557(2) .
Ag16 S2 2.5753(18) .
Ag16 S4 2.8421(19) .
S1 P1 2.018(2) .
S2 P1 1.996(3) .
S3 P2 2.005(2) .
S4 P2 1.989(3) 2_656
S4 Ag16 2.5475(19) 2_656
S5 P3 2.018(2) .
S6 P3 1.987(2) .
S7 P4 2.004(3) .
S8 P4 1.991(3) .
S9 P5 2.007(2) .
S10 P5 1.994(2) .
S11 P6 1.975(3) .
S12 P6 2.010(2) .
S13 P7 2.005(2) .
S14 P7 2.009(2) .
S15 P8 2.008(2) .
S16 P8 1.994(2) .
S17 P9 1.994(2) .
S18 P9 2.004(2) .
S19 P10 1.994(2) .
S20 P10 2.005(2) .
S21 P11 2.007(2) .
S22 P11 1.990(2) .
S23 P12 2.013(2) .
S24 P12 1.993(2) .
P1 O2 1.563(5) .
P1 O1 1.573(6) .
P2 O4 1.561(5) .
P2 O3 1.576(5) .
P2 S4 1.989(3) 2_656
P3 O19 1.566(5) .
P3 O20 1.583(5) .
P4 O23 1.557(5) .
P4 O24 1.569(5) .
P5 O13 1.565(5) .
P5 O14 1.574(5) .
P6 O5 1.579(5) .
P6 O6 1.584(6) .
P7 O7 1.571(5) .
P7 O8 1.574(5) .
P8 O12 1.568(4) .
P8 O11 1.575(5) .
P9 O16 1.575(6) .
P9 O15 1.581(6) .
P10 O22 1.517(6) .
P10 O21 1.562(6) .
P11 O9 1.579(4) .
P11 O10 1.581(4) .
P12 O18 1.572(5) .
P12 O17 1.572(5) .
P13 F6 1.510(10) .
P13 F5 1.533(11) .
P13 F3 1.546(10) .
P13 F2 1.547(9) .
P13 F4 1.554(10) .
P13 F1 1.582(9) .
P14 F11 1.509(10) .
P14 F12 1.511(11) .
P14 F9 1.532(9) .
P14 F7 1.540(10) .
P14 F10 1.540(11) .
P14 F8 1.576(13) .
Cr1 O27 1.594(5) .
Cr1 O25 1.636(5) .
Cr1 O28 1.639(4) .
Cr1 O26 1.642(5) .
O1 C1 1.453(10) .
O2 C3 1.450(11) .
O3 C5 1.452(12) .
O4 C7 1.459(10) .
O5 C9 1.454(16) .
O6 C11 1.464(10) .
O7 C13 1.486(9) .
O8 C15 1.460(11) .
O9 C17 1.463(9) .
O10 C19 1.442(9) .
O11 C21 1.472(10) .
O12 C23 1.474(9) .
O13 C25 1.483(10) .
O14 C27 1.469(9) .
O15 C29 1.383(13) .
O16 C31 1.474(10) .
O17 C33 1.461(9) .
O18 C35 1.472(9) .
O19 C37 1.480(9) .
O20 C39 1.443(10) .
O21 C41 1.464(10) .
O22 C43 1.24(2) .
O23 C45 1.491(11) .
O24 C47 1.472(9) .
C1 C2 1.509(14) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C4 1.266(16) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6' 1.532(10) .
C5 C6 1.543(10) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C6' H6'A 0.9600 .
C6' H6'B 0.9600 .
C6' H6'C 0.9600 .
C7 C8 1.470(13) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.532(10) .
C9 C10' 1.536(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C10' H10D 0.9600 .
C10' H10E 0.9600 .
C10' H10F 0.9600 .
C11 C12 1.456(16) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.424(15) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.284(17) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.405(13) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.403(15) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.413(15) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.476(12) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.488(19) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.489(12) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.320(19) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.368(16) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.467(12) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.512(15) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.457(13) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 C40 1.473(13) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.485(15) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C44 1.45(2) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C46 1.412(15) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C48 1.453(14) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
