#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:32:25 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/73/7057330.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_7057330
loop_
_publ_author_name
'Švec, Petr'
'Cattey, Hélène'
'R°užičková, Zdeňka'
'Holub, Josef'
'R°užička, Aleš'
'Plasseraud, Laurent'
_publ_section_title
;
 Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and
 methanol: solution and solid-state characterization of an unexpected
 diorganotin(iv)-oxo cluster
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8253
_journal_paper_doi               10.1039/C7NJ05058E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C88 H198 O16 Sn10, 2(C B11 H12)'
_chemical_formula_sum            'C90 H220 B22 O16 Sn10'
_chemical_formula_weight         2983.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-12-11 deposited with the CCDC.
2018-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                88.883(7)
_cell_angle_beta                 88.070(6)
_cell_angle_gamma                87.940(11)
_cell_formula_units_Z            2
_cell_length_a                   13.205(2)
_cell_length_b                   20.512(3)
_cell_length_c                   24.8670(12)
_cell_measurement_reflns_used    65542
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.61
_cell_measurement_theta_min      1
_cell_volume                     6726.2(15)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_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  0.1005
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_Laue_measured_fraction_full 0.956
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            65542
_diffrn_reflns_point_group_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.600
_diffrn_reflns_theta_min         1.544
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.871
_exptl_absorpt_correction_T_max  0.705
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       block
_exptl_crystal_F_000             2996
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.27
_refine_diff_density_max         4.058
_refine_diff_density_min         -3.380
_refine_diff_density_rms         0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1255
_refine_ls_number_reflns         24041
_refine_ls_number_restraints     1473
_refine_ls_restrained_S_all      1.373
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1036P)²+93.4020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2125
_refine_ls_wR_factor_ref         0.2803
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16772
_reflns_number_total             24041
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj05058e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7057329--7057331.cif.'
_cod_original_cell_volume        6726.2(14)
_cod_database_code               7057330
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn5 Sn 0.06738(7) 0.96937(4) 0.55116(3) 0.0452(2) Uani 1 1 d . U . . .
Sn3 Sn 0.27073(7) 0.88937(4) 0.23246(3) 0.0473(2) Uani 1 1 d . U . . .
Sn4 Sn 0.16313(7) 0.91129(4) 0.43187(4) 0.0495(2) Uani 1 1 d . U . . .
Sn6 Sn 0.51494(7) 0.35782(5) 0.39201(4) 0.0513(2) Uani 1 1 d . U . . .
Sn1 Sn 0.20167(7) 0.92940(4) 0.10548(3) 0.0493(2) Uani 1 1 d . U . . .
Sn2 Sn 0.01964(8) 0.97341(6) 0.19882(4) 0.0608(3) Uani 1 1 d . U . . .
Sn8 Sn 0.55857(8) 0.32091(5) 0.26052(4) 0.0558(3) Uani 1 1 d . U . . .
Sn7 Sn 0.52387(8) 0.49307(5) 0.31126(5) 0.0619(3) Uani 1 1 d . U . . .
Sn10 Sn 0.44435(13) 0.57251(7) -0.01577(6) 0.0985(4) Uani 1 1 d D U . . .
Sn9 Sn 0.46537(14) 0.55579(8) 0.11985(6) 0.1048(5) Uani 1 1 d . U . . .
O1 O 0.1616(7) 0.9347(4) 0.1869(3) 0.0496(19) Uani 1 1 d . U . . .
O7 O 0.0579(6) 0.9679(4) 0.4696(3) 0.0413(17) Uani 1 1 d . U . . .
O5 O 0.1726(8) 0.9045(5) 0.3026(3) 0.058(2) Uani 1 1 d . U . . .
O9 O 0.5325(8) 0.3934(5) 0.3144(4) 0.060(2) Uani 1 1 d . U . . .
C117 C 0.6491(12) 0.3324(8) 0.4353(7) 0.067(4) Uani 1 1 d . U . . .
117A H 0.6358 0.3410 0.4731 0.081 Uiso 1 1 d R U . . .
117B H 0.6624 0.2858 0.4319 0.081 Uiso 1 1 d R U . . .
C49 C 0.1611(12) 1.0410(7) 0.5804(6) 0.061(3) Uani 1 1 d . U . . .
H49A H 0.1811 1.0684 0.5499 0.073 Uiso 1 1 d R U . . .
H49B H 0.1210 1.0685 0.6050 0.073 Uiso 1 1 d R U . . .
O14 O 0.5415(11) 0.4643(6) 0.1408(5) 0.097(4) Uani 1 1 d . U . . .
O8 O 0.1875(7) 0.9037(4) 0.5197(4) 0.054(2) Uani 1 1 d . U . . .
O3 O 0.3267(8) 0.8904(5) 0.1481(4) 0.062(2) Uani 1 1 d . U . . .
O2 O 0.0492(8) 0.9681(5) 0.1128(4) 0.064(2) Uani 1 1 d . U . . .
O11 O 0.5196(8) 0.2765(4) 0.3391(4) 0.057(2) Uani 1 1 d . U . . .
C121 C 0.3721(13) 0.5329(9) 0.3133(8) 0.077(4) Uani 1 1 d . U . . .
121A H 0.3781 0.5790 0.3049 0.093 Uiso 1 1 d R U . . .
121B H 0.3374 0.5145 0.2837 0.093 Uiso 1 1 d R U . . .
C114 C 0.3252(11) 0.3934(8) 0.4659(6) 0.060(3) Uani 1 1 d . U . . .
114A H 0.3362 0.4383 0.4551 0.072 Uiso 1 1 d R U . . .
114B H 0.3658 0.3833 0.4970 0.072 Uiso 1 1 d R U . . .
O4 O 0.0443(10) 0.9730(7) 0.2821(4) 0.089(4) Uani 1 1 d . U . . .
C13 C 0.1643(15) 0.8413(8) 0.0674(7) 0.074(4) Uani 1 1 d . U . . .
H13A H 0.1532 0.8509 0.0297 0.088 Uiso 1 1 d R U . . .
H13B H 0.2216 0.8105 0.0693 0.088 Uiso 1 1 d R U . . .
C53 C -0.0205(14) 0.9802(10) 0.0717(7) 0.082(5) Uani 1 1 d . U . . .
H53A H -0.0083 1.0218 0.0548 0.099 Uiso 1 1 d R U . . .
H53B H -0.0878 0.9807 0.0876 0.099 Uiso 1 1 d R U . . .
H53C H -0.0138 0.9467 0.0453 0.099 Uiso 1 1 d R U . . .
C118 C 0.7416(11) 0.3661(9) 0.4173(7) 0.068(4) Uani 1 1 d . U . . .
118A H 0.7291 0.4129 0.4193 0.081 Uiso 1 1 d R U . . .
118B H 0.7589 0.3556 0.3802 0.081 Uiso 1 1 d R U . . .
C37 C 0.1269(10) 0.8120(7) 0.4226(6) 0.059(3) Uani 1 1 d D U . . .
H37A H 0.1807 0.7901 0.4015 0.071 Uiso 1 1 d R U . . .
H37B H 0.1252 0.7915 0.4580 0.071 Uiso 1 1 d R U . . .
O16 O 0.4084(13) 0.6263(7) 0.0596(6) 0.112(4) Uani 1 1 d . U . . .
C54 C 0.4256(12) 0.8722(10) 0.1278(6) 0.075(5) Uani 1 1 d . U . . .
H54A H 0.4212 0.8604 0.0908 0.090 Uiso 1 1 d R U . . .
H54B H 0.4524 0.8356 0.1482 0.090 Uiso 1 1 d R U . . .
H54C H 0.4694 0.9082 0.1303 0.090 Uiso 1 1 d R U . . .
C45 C -0.0172(14) 0.8922(8) 0.5918(6) 0.074(4) Uani 1 1 d D U . . .
H45A H 0.0286 0.8670 0.6146 0.089 Uiso 1 1 d R U . . .
H45B H -0.0708 0.9116 0.6146 0.089 Uiso 1 1 d R U . . .
C50 C 0.2581(12) 1.0195(8) 0.6078(6) 0.060(3) Uani 1 1 d . U . . .
H50A H 0.3007 0.9942 0.5828 0.072 Uiso 1 1 d R U . . .
H50B H 0.2946 1.0580 0.6164 0.072 Uiso 1 1 d R U . . .
C154 C 0.5055(15) 0.2109(7) 0.3539(7) 0.077(5) Uani 1 1 d . U . . .
154A H 0.5700 0.1909 0.3623 0.092 Uiso 1 1 d R U . . .
154B H 0.4765 0.1879 0.3253 0.092 Uiso 1 1 d R U . . .
154C H 0.4609 0.2095 0.3852 0.092 Uiso 1 1 d R U . . .
O15 O 0.4913(12) 0.5170(7) 0.0477(5) 0.106(4) Uani 1 1 d . U . . .
O10 O 0.5241(8) 0.4619(5) 0.3959(5) 0.069(2) Uani 1 1 d . U . . .
O13 O 0.5971(10) 0.3959(5) 0.2029(5) 0.078(3) Uani 1 1 d . U . . .
C39 C 0.0028(15) 0.7300(7) 0.3956(10) 0.100(6) Uani 1 1 d D U . . .
H39A H 0.0027 0.7125 0.4321 0.120 Uiso 1 1 d R U . . .
H39B H 0.0562 0.7067 0.3753 0.120 Uiso 1 1 d R U . . .
O12 O 0.5143(10) 0.4888(5) 0.2256(5) 0.080(3) Uani 1 1 d . U . . .
C122 C 0.3038(15) 0.5290(11) 0.3573(9) 0.092(6) Uani 1 1 d . U . . .
122A H 0.3329 0.5525 0.3862 0.111 Uiso 1 1 d R U . . .
122B H 0.3019 0.4836 0.3687 0.111 Uiso 1 1 d R U . . .
C33 C 0.3789(15) 0.9534(8) 0.2581(6) 0.075(4) Uani 1 1 d D U . . .
H33A H 0.3916 0.9464 0.2960 0.090 Uiso 1 1 d R U . . .
H33B H 0.4423 0.9467 0.2378 0.090 Uiso 1 1 d R U . . .
C21 C -0.102(2) 0.9093(15) 0.1939(11) 0.132(7) Uani 1 1 d D U . . .
H21A H -0.1351 0.9183 0.1604 0.158 Uiso 1 1 d R U . . .
H21B H -0.0627 0.8689 0.1882 0.158 Uiso 1 1 d R U . . .
C29 C 0.2493(17) 0.7875(8) 0.2312(8) 0.084(4) Uani 1 1 d . U . . .
H29A H 0.2654 0.7744 0.1946 0.101 Uiso 1 1 d R U . . .
H29B H 0.3002 0.7664 0.2536 0.101 Uiso 1 1 d R U . . .
C25 C 0.0056(15) 1.0768(9) 0.1992(7) 0.079(4) Uani 1 1 d . U . . .
H25A H -0.0649 1.0899 0.1944 0.095 Uiso 1 1 d R U . . .
H25B H 0.0233 1.0907 0.2346 0.095 Uiso 1 1 d R U . . .
C26 C 0.0674(18) 1.1129(9) 0.1610(8) 0.092(5) Uani 1 1 d . U . . .
H26A H 0.0510 1.0987 0.1255 0.110 Uiso 1 1 d R U . . .
H26B H 0.1382 1.1011 0.1663 0.110 Uiso 1 1 d R U . . .
C17 C 0.2754(12) 1.0135(7) 0.0756(5) 0.057(3) Uani 1 1 d . U . . .
H17A H 0.2828 1.0422 0.1057 0.068 Uiso 1 1 d R U . . .
H17B H 0.3431 0.9999 0.0631 0.068 Uiso 1 1 d R U . . .
C119 C 0.8328(14) 0.3462(11) 0.4508(9) 0.095(6) Uani 1 1 d . U . . .
119A H 0.8461 0.2995 0.4482 0.114 Uiso 1 1 d R U . . .
119B H 0.8149 0.3558 0.4880 0.114 Uiso 1 1 d R U . . .
C55 C 0.0990(12) 0.9407(8) 0.3154(5) 0.064(4) Uani 1 1 d . U . . .
C115 C 0.2154(12) 0.3855(11) 0.4811(8) 0.082(5) Uani 1 1 d . U . . .
115A H 0.2048 0.3405 0.4921 0.098 Uiso 1 1 d R U . . .
115B H 0.1752 0.3950 0.4498 0.098 Uiso 1 1 d R U . . .
C113 C 0.3602(10) 0.3487(7) 0.4200(6) 0.056(3) Uani 1 1 d . U . . .
113A H 0.3166 0.3577 0.3899 0.067 Uiso 1 1 d R U . . .
113B H 0.3504 0.3039 0.4317 0.067 Uiso 1 1 d R U . . .
C145 C 0.2937(13) 0.5631(11) -0.0367(9) 0.114(5) Uani 1 1 d D U . . .
145A H 0.2894 0.5207 -0.0530 0.136 Uiso 1 1 d R U . . .
145B H 0.2521 0.5623 -0.0039 0.136 Uiso 1 1 d R U . . .
O6 O 0.0757(9) 0.9512(6) 0.3654(4) 0.070(3) Uani 1 1 d . U . . .
C56 C 0.2452(15) 0.8546(9) 0.5483(7) 0.083(5) Uani 1 1 d . U . . .
H56A H 0.2092 0.8435 0.5812 0.099 Uiso 1 1 d R U . . .
H56B H 0.3101 0.8708 0.5563 0.099 Uiso 1 1 d R U . . .
H56C H 0.2544 0.8165 0.5266 0.099 Uiso 1 1 d R U . . .
C14 C 0.075(3) 0.8079(16) 0.0886(14) 0.156(12) Uani 1 1 d . U . . .
H14A H 0.0149 0.8362 0.0843 0.187 Uiso 1 1 d R U . . .
H14B H 0.0828 0.7990 0.1267 0.187 Uiso 1 1 d R U . . .
C137 C 0.312(2) 0.5299(14) 0.1491(11) 0.129(6) Uani 1 1 d . U . . .
137A H 0.3161 0.4845 0.1608 0.155 Uiso 1 1 d R U . . .
137B H 0.2971 0.5554 0.1810 0.155 Uiso 1 1 d R U . . .
C41 C 0.2947(14) 0.9641(9) 0.4123(8) 0.080(4) Uani 1 1 d . U . . .
H41A H 0.3515 0.9327 0.4113 0.096 Uiso 1 1 d R U . . .
H41B H 0.2889 0.9820 0.3761 0.096 Uiso 1 1 d R U . . .
C120 C 0.9289(15) 0.3844(13) 0.4353(12) 0.119(8) Uani 1 1 d . U . . .
120A H 0.9406 0.3858 0.3970 0.142 Uiso 1 1 d R U . . .
120B H 0.9845 0.3612 0.4518 0.142 Uiso 1 1 d R U . . .
120C H 0.9233 0.4280 0.4486 0.142 Uiso 1 1 d R U . . .
C30 C 0.156(2) 0.7614(12) 0.2444(11) 0.112(7) Uani 1 1 d . U . . .
H30A H 0.1030 0.7879 0.2276 0.134 Uiso 1 1 d R U . . .
H30B H 0.1462 0.7667 0.2829 0.134 Uiso 1 1 d R U . . .
C18 C 0.2268(12) 1.0537(7) 0.0303(5) 0.060(3) Uani 1 1 d . U . . .
H18A H 0.2157 1.0254 0.0004 0.071 Uiso 1 1 d R U . . .
H18B H 0.1612 1.0710 0.0431 0.071 Uiso 1 1 d R U . . .
C123 C 0.1966(14) 0.5551(10) 0.3514(9) 0.089(5) Uani 1 1 d . U . . .
123A H 0.1987 0.6009 0.3410 0.107 Uiso 1 1 d R U . . .
123B H 0.1684 0.5326 0.3217 0.107 Uiso 1 1 d R U . . .
C153 C 0.547(2) 0.4999(11) 0.4396(9) 0.104(7) Uani 1 1 d . U . . .
153A H 0.5675 0.4727 0.4695 0.125 Uiso 1 1 d R U . . .
153B H 0.4885 0.5262 0.4500 0.125 Uiso 1 1 d R U . . .
153C H 0.6015 0.5276 0.4287 0.125 Uiso 1 1 d R U . . .
C146 C 0.2547(18) 0.6174(11) -0.0740(10) 0.106(6) Uani 1 1 d . U . . .
146A H 0.2637 0.6597 -0.0583 0.127 Uiso 1 1 d R U . . .
146B H 0.2958 0.6164 -0.1071 0.127 Uiso 1 1 d R U . . .
C156 C 0.378(3) 0.6896(12) 0.0595(11) 0.143(10) Uani 1 1 d . U . . .
156A H 0.4212 0.7138 0.0354 0.172 Uiso 1 1 d R U . . .
156B H 0.3819 0.7058 0.0953 0.172 Uiso 1 1 d R U . . .
156C H 0.3089 0.6946 0.0481 0.172 Uiso 1 1 d R U . . .
C38 C 0.0284(11) 0.8005(7) 0.3973(7) 0.073(4) Uani 1 1 d D U . . .
H38A H 0.0316 0.8180 0.3608 0.088 Uiso 1 1 d R U . . .
H38B H -0.0252 0.8244 0.4169 0.088 Uiso 1 1 d R U . . .
C155 C 0.5495(14) 0.4480(8) 0.1900(7) 0.074(4) Uani 1 1 d . U . . .
C133 C 0.7133(12) 0.2886(7) 0.2586(6) 0.062(3) Uani 1 1 d . U . . .
133A H 0.7332 0.2784 0.2217 0.074 Uiso 1 1 d R U . . .
133B H 0.7529 0.3250 0.2689 0.074 Uiso 1 1 d R U . . .
C19 C 0.2898(15) 1.1090(9) 0.0103(7) 0.080(5) Uani 1 1 d . U . . .
H19A H 0.3546 1.0917 -0.0035 0.096 Uiso 1 1 d R U . . .
H19B H 0.3025 1.1366 0.0404 0.096 Uiso 1 1 d R U . . .
C134 C 0.7446(13) 0.2299(8) 0.2946(6) 0.070(4) Uani 1 1 d . U . . .
134A H 0.7346 0.2414 0.3321 0.084 Uiso 1 1 d R U . . .
134B H 0.7006 0.1943 0.2877 0.084 Uiso 1 1 d R U . . .
C135 C 0.8542(14) 0.2067(10) 0.2868(7) 0.084(5) Uani 1 1 d . U . . .
135A H 0.8674 0.1676 0.3084 0.101 Uiso 1 1 d R U . . .
135B H 0.8633 0.1950 0.2493 0.101 Uiso 1 1 d R U . . .
C116 C 0.1772(14) 0.4315(12) 0.5245(8) 0.092(6) Uani 1 1 d . U . . .
116A H 0.2103 0.4182 0.5569 0.111 Uiso 1 1 d R U . . .
116B H 0.1052 0.4284 0.5299 0.111 Uiso 1 1 d R U . . .
116C H 0.1930 0.4758 0.5155 0.111 Uiso 1 1 d R U . . .
C51 C 0.2410(16) 0.9797(9) 0.6561(7) 0.082(5) Uani 1 1 d . U . . .
H51A H 0.2066 0.9404 0.6475 0.098 Uiso 1 1 d R U . . .
H51B H 0.1969 1.0044 0.6809 0.098 Uiso 1 1 d R U . . .
B111 B 0.6078(18) 0.1436(11) 0.1718(8) 0.079(4) Uani 1 1 d . U . . .
H111 H 0.5891 0.1536 0.2144 0.095 Uiso 1 1 d R U . . .
C52 C 0.3402(17) 0.9615(12) 0.6841(9) 0.103(7) Uani 1 1 d . U . . .
H52A H 0.3723 0.9244 0.6668 0.123 Uiso 1 1 d R U . . .
H52B H 0.3242 0.9507 0.7211 0.123 Uiso 1 1 d R U . . .
H52C H 0.3853 0.9973 0.6823 0.123 Uiso 1 1 d R U . . .
C42 C 0.3203(17) 1.0141(11) 0.4481(8) 0.092(6) Uani 1 1 d . U . . .
H42A H 0.3269 0.9963 0.4843 0.111 Uiso 1 1 d R U . . .
H42B H 0.2637 1.0455 0.4492 0.111 Uiso 1 1 d R U . . .
C20 C 0.2380(19) 1.1503(12) -0.0338(10) 0.117(8) Uani 1 1 d . U . . .
H20A H 0.2003 1.1227 -0.0560 0.140 Uiso 1 1 d R U . . .
H20B H 0.2883 1.1720 -0.0557 0.140 Uiso 1 1 d R U . . .
H20C H 0.1927 1.1823 -0.0173 0.140 Uiso 1 1 d R U . . .
C27 C 0.0564(19) 1.1848(10) 0.1623(9) 0.099(6) Uani 1 1 d . U . . .
H27A H 0.0747 1.1995 0.1974 0.119 Uiso 1 1 d R U . . .
H27B H -0.0145 1.1969 0.1576 0.119 Uiso 1 1 d R U . . .
B106 B 0.6017(17) 0.2043(12) 0.1202(8) 0.078(4) Uani 1 1 d . U . . .
H106 H 0.5828 0.2556 0.1293 0.094 Uiso 1 1 d R U . . .
C129 C 0.4246(13) 0.2991(10) 0.2240(7) 0.083(4) Uani 1 1 d D U . . .
129A H 0.4285 0.3117 0.1862 0.099 Uiso 1 1 d R U . . .
129B H 0.4166 0.2522 0.2261 0.099 Uiso 1 1 d R U . . .
B104 B 0.6835(18) 0.1843(11) 0.0666(8) 0.076(4) Uani 1 1 d . U . . .
H101 H 0.7173 0.2204 0.0388 0.092 Uiso 1 1 d R U . . .
C130 C 0.3317(12) 0.3317(12) 0.2503(8) 0.102(6) Uani 1 1 d D U . . .
130A H 0.3194 0.3128 0.2858 0.122 Uiso 1 1 d R U . . .
130B H 0.3442 0.3777 0.2544 0.122 Uiso 1 1 d R U . . .
C46 C -0.062(2) 0.8475(10) 0.5519(8) 0.113(7) Uani 1 1 d D U . . .
H46A H -0.1185 0.8697 0.5341 0.135 Uiso 1 1 d R U . . .
H46B H -0.0116 0.8342 0.5248 0.135 Uiso 1 1 d R U . . .
B102 B 0.7183(19) 0.1726(12) 0.1354(8) 0.081(4) Uani 1 1 d . U . . .
H102 H 0.7748 0.2026 0.1538 0.097 Uiso 1 1 d R U . . .
C101 C 0.6491(18) 0.1105(11) 0.0449(9) 0.097(4) Uani 1 1 d . U . . .
H104 H 0.6608 0.0975 0.0024 0.116 Uiso 1 1 calc R U . . .
C31 C 0.138(2) 0.6858(12) 0.2306(11) 0.122(7) Uani 1 1 d . U . . .
H31A H 0.1496 0.6794 0.1922 0.147 Uiso 1 1 d R U . . .
H31B H 0.1884 0.6585 0.2489 0.147 Uiso 1 1 d R U . . .
C136 C 0.9246(18) 0.2526(14) 0.2964(11) 0.119(8) Uani 1 1 d . U . . .
136A H 0.9030 0.2946 0.2823 0.143 Uiso 1 1 d R U . . .
136B H 0.9888 0.2398 0.2799 0.143 Uiso 1 1 d R U . . .
136C H 0.9312 0.2551 0.3346 0.143 Uiso 1 1 d R U . . .
B109 B 0.552(2) 0.0875(13) 0.0805(10) 0.093(4) Uani 1 1 d . U . . .
H109 H 0.4924 0.0600 0.0622 0.112 Uiso 1 1 d R U . . .
B105 B 0.556(2) 0.1672(12) 0.0628(9) 0.089(4) Uani 1 1 d . U . . .
H105 H 0.5048 0.1933 0.0351 0.107 Uiso 1 1 d R U . . .
C127 C 0.8584(17) 0.5202(13) 0.2956(13) 0.127(8) Uani 1 1 d . U . . .
127A H 0.8595 0.5620 0.2767 0.152 Uiso 1 1 d R U . . .
127B H 0.8694 0.5275 0.3334 0.152 Uiso 1 1 d R U . . .
B12 B 0.609(2) 0.7026(15) 0.3939(12) 0.109(5) Uani 1 1 d . U . . .
H12 H 0.6733 0.6683 0.4009 0.131 Uiso 1 1 d R U . . .
B11 B 0.533(2) 0.7442(15) 0.4413(14) 0.114(5) Uani 1 1 d . U . . .
H11 H 0.5503 0.7399 0.4842 0.136 Uiso 1 1 d R U . . .
B107 B 0.704(2) 0.0877(12) 0.1525(10) 0.090(4) Uani 1 1 d . U . . .
H107 H 0.7515 0.0616 0.1820 0.108 Uiso 1 1 d R U . . .
C124 C 0.129(2) 0.5530(14) 0.3972(11) 0.120(7) Uani 1 1 d . U . . .
124A H 0.1023 0.5103 0.4019 0.144 Uiso 1 1 d R U . . .
124B H 0.0745 0.5848 0.3939 0.144 Uiso 1 1 d R U . . .
124C H 0.1680 0.5627 0.4279 0.144 Uiso 1 1 d R U . . .
C131 C 0.2334(14) 0.3273(14) 0.2221(10) 0.123(8) Uani 1 1 d D U . . .
131A H 0.2191 0.2817 0.2176 0.147 Uiso 1 1 d R U . . .
131B H 0.2429 0.3477 0.1869 0.147 Uiso 1 1 d R U . . .
B110 B 0.514(2) 0.1442(12) 0.1263(9) 0.087(4) Uani 1 1 d . U . . .
H110 H 0.4345 0.1544 0.1384 0.104 Uiso 1 1 d R U . . .
C28 C 0.119(2) 1.2206(13) 0.1199(10) 0.131(9) Uani 1 1 d . U . . .
H28A H 0.1881 1.2043 0.1205 0.158 Uiso 1 1 d R U . . .
H28B H 0.1165 1.2664 0.1274 0.158 Uiso 1 1 d R U . . .
H28C H 0.0925 1.2140 0.0851 0.158 Uiso 1 1 d R U . . .
C126 C 0.7534(15) 0.4899(11) 0.2884(11) 0.102(6) Uani 1 1 d . U . . .
126A H 0.7435 0.4821 0.2506 0.123 Uiso 1 1 d R U . . .
126B H 0.7531 0.4481 0.3074 0.123 Uiso 1 1 d R U . . .
C125 C 0.6709(15) 0.5321(10) 0.3112(11) 0.102(5) Uani 1 1 d . U . . .
125A H 0.6694 0.5724 0.2902 0.122 Uiso 1 1 d R U . . .
125B H 0.6854 0.5430 0.3478 0.122 Uiso 1 1 d R U . . .
B103 B 0.753(2) 0.1152(12) 0.0880(10) 0.089(4) Uani 1 1 d . U . . .
H103 H 0.8335 0.1073 0.0754 0.107 Uiso 1 1 d R U . . .
B7 B 0.478(2) 0.6885(16) 0.4164(14) 0.116(5) Uani 1 1 d . U . . .
H7 H 0.4564 0.6462 0.4414 0.139 Uiso 1 1 calc R U . . .
C128 C 0.9395(19) 0.4785(16) 0.2734(15) 0.156(12) Uani 1 1 d . U . . .
128A H 0.9106 0.4448 0.2531 0.188 Uiso 1 1 d R U . . .
128B H 0.9775 0.4590 0.3022 0.188 Uiso 1 1 d R U . . .
128C H 0.9836 0.5035 0.2503 0.188 Uiso 1 1 d R U . . .
B112 B 0.583(2) 0.0713(13) 0.1471(10) 0.091(4) Uani 1 1 d . U . . .
H112 H 0.5520 0.0321 0.1729 0.109 Uiso 1 1 d R U . . .
C149 C 0.542(2) 0.6378(12) -0.0490(10) 0.114(7) Uani 1.00(6) 1 d D U . . .
H14C H 0.5510 0.6232 -0.0858 0.136 Uiso 1 1 calc R U . A 1
H14D H 0.5002 0.6775 -0.0514 0.136 Uiso 1 1 calc R U . A 1
C40 C -0.0990(17) 0.7153(14) 0.3743(15) 0.157(13) Uani 1 1 d D U . . .
H40A H -0.1500 0.7468 0.3864 0.189 Uiso 1 1 d R U . . .
H40B H -0.1170 0.6726 0.3869 0.189 Uiso 1 1 d R U . . .
H40C H -0.0943 0.7161 0.3357 0.189 Uiso 1 1 d R U . . .
C1 C 0.4120(19) 0.7986(12) 0.3583(10) 0.106(4) Uani 1 1 d . U . . .
H1 H 0.3439 0.8254 0.3444 0.127 Uiso 1 1 d R U . . .
C132 C 0.149(2) 0.3632(16) 0.2537(13) 0.157(11) Uani 1 1 d D U . . .
132A H 0.1341 0.3404 0.2869 0.188 Uiso 1 1 d R U . . .
132B H 0.0911 0.3642 0.2316 0.188 Uiso 1 1 d R U . . .
132C H 0.1671 0.4071 0.2612 0.188 Uiso 1 1 d R U . . .
B108 B 0.664(2) 0.0487(13) 0.0938(10) 0.094(4) Uani 1 1 d . U . . .
H108 H 0.6841 -0.0023 0.0841 0.112 Uiso 1 1 calc R U . . .
C141 C 0.568(2) 0.6182(13) 0.1466(12) 0.138(7) Uani 1 1 d D U . . .
H14E H 0.5593 0.6582 0.1255 0.166 Uiso 1 1 calc R U . . .
H14F H 0.5467 0.6285 0.1832 0.166 Uiso 1 1 calc R U . . .
B9 B 0.604(3) 0.7549(16) 0.3426(13) 0.115(5) Uani 1 1 d . U . . .
H9 H 0.6713 0.7561 0.3153 0.138 Uiso 1 1 calc R U . . .
B10 B 0.611(3) 0.7865(16) 0.3982(13) 0.115(5) Uani 1 1 d . U . . .
H10 H 0.6828 0.8075 0.4085 0.138 Uiso 1 1 d R U . . .
C148 C 0.112(2) 0.6490(18) -0.1283(15) 0.169(14) Uani 1 1 d . U . . .
148A H 0.1161 0.6927 -0.1156 0.203 Uiso 1 1 d R U . . .
148B H 0.0436 0.6414 -0.1377 0.203 Uiso 1 1 d R U . . .
148C H 0.1562 0.6435 -0.1595 0.203 Uiso 1 1 d R U . . .
B2 B 0.416(3) 0.7642(15) 0.4223(13) 0.116(5) Uani 1 1 d . U . . .
H2 H 0.3540 0.7756 0.4517 0.139 Uiso 1 1 calc R U . . .
C47 C -0.100(3) 0.7851(13) 0.5760(14) 0.188(14) Uani 1 1 d D U . . .
H47A H -0.1266 0.7590 0.5479 0.225 Uiso 1 1 calc R U . . .
H47B H -0.0443 0.7605 0.5918 0.225 Uiso 1 1 calc R U . . .
B6 B 0.492(2) 0.8158(16) 0.4110(13) 0.115(5) Uani 1 1 d . U . . .
H6 H 0.4805 0.8610 0.4338 0.138 Uiso 1 1 calc R U . . .
C147 C 0.148(2) 0.6075(16) -0.0885(14) 0.145(10) Uani 1 1 d . U . . .
147A H 0.1351 0.5632 -0.0984 0.174 Uiso 1 1 d R U . . .
147B H 0.1062 0.6172 -0.0568 0.174 Uiso 1 1 d R U . . .
B5 B 0.534(2) 0.8212(17) 0.3523(13) 0.116(5) Uani 1 1 d . U . . .
H5 H 0.5500 0.8698 0.3353 0.139 Uiso 1 1 calc R U . . .
C36 C 0.294(3) 1.1358(11) 0.2605(12) 0.151(11) Uani 1 1 d D U . . .
H36A H 0.3489 1.1596 0.2450 0.182 Uiso 1 1 d R U . . .
H36B H 0.2736 1.1538 0.2948 0.182 Uiso 1 1 d R U . . .
H36C H 0.2374 1.1389 0.2370 0.182 Uiso 1 1 d R U . . .
C139 C 0.134(3) 0.5127(16) 0.1408(14) 0.154(9) Uani 1 1 d D U . . .
H13C H 0.1164 0.5364 0.1734 0.185 Uiso 1 1 calc R U . . .
H13D H 0.1452 0.4670 0.1504 0.185 Uiso 1 1 calc R U . . .
C138 C 0.225(3) 0.538(2) 0.1150(15) 0.175(13) Uani 1 1 d . U . . .
H13E H 0.2134 0.5845 0.1069 0.210 Uiso 1 1 calc R U . . .
H13F H 0.2390 0.5163 0.0814 0.210 Uiso 1 1 calc R U . . .
C32 C 0.039(3) 0.6645(18) 0.2494(17) 0.176(13) Uani 1 1 d . U . . .
B3 B 0.401(3) 0.7199(16) 0.3642(14) 0.118(5) Uani 1 1 d . U . . .
H3 H 0.3313 0.6961 0.3540 0.142 Uiso 1 1 calc R U . . .
C15 C 0.055(3) 0.7361(19) 0.0641(18) 0.190(15) Uani 1 1 d . U . . .
H15A H 0.1029 0.7031 0.0772 0.228 Uiso 1 1 calc R U . . .
H15B H -0.0137 0.7225 0.0725 0.228 Uiso 1 1 calc R U . . .
C24 C -0.320(3) 0.862(3) 0.2008(17) 0.26(2) Uani 1 1 d D U . . .
H24A H -0.3623 0.8281 0.1897 0.387 Uiso 1 1 calc R U . . .
H24B H -0.2998 0.8880 0.1699 0.387 Uiso 1 1 calc R U . . .
H24C H -0.3572 0.8894 0.2261 0.387 Uiso 1 1 calc R U . . .
C23 C -0.227(3) 0.8326(17) 0.227(2) 0.28(2) Uani 1 1 d D U . . .
H23A H -0.1930 0.8028 0.2018 0.330 Uiso 1 1 calc R U . . .
H23B H -0.2486 0.8074 0.2583 0.330 Uiso 1 1 calc R U . . .
C22 C -0.154(3) 0.882(3) 0.2433(13) 0.26(2) Uani 1 1 d D U . . .
H22A H -0.1894 0.9171 0.2628 0.317 Uiso 1 1 calc R U . . .
H22B H -0.1040 0.8619 0.2668 0.317 Uiso 1 1 calc R U . . .
C16 C 0.070(6) 0.749(3) 0.011(2) 0.30(4) Uani 1 1 d . U . . .
H16A H 0.0599 0.7097 -0.0088 0.455 Uiso 1 1 calc R U . . .
H16B H 0.1374 0.7629 0.0042 0.455 Uiso 1 1 calc R U . . .
H16C H 0.0220 0.7822 -0.0004 0.455 Uiso 1 1 calc R U . . .
B4 B 0.491(2) 0.7665(16) 0.3137(14) 0.112(5) Uani 1 1 d . U . . .
H4 H 0.4858 0.7743 0.2700 0.135 Uiso 1 1 calc R U . . .
B8 B 0.523(2) 0.6823(17) 0.3497(14) 0.120(5) Uani 1 1 d . U . . .
H8 H 0.5288 0.6350 0.3294 0.144 Uiso 1 1 calc R U . . .
C61 C 0.728(5) 0.614(4) -0.025(4) 0.125(9) Uani 0.30(3) 1 d D U P B 1
H61A H 0.7287 0.5868 -0.0569 0.150 Uiso 0.30(3) 1 calc R U P B 1
H61B H 0.6975 0.5879 0.0031 0.150 Uiso 0.30(3) 1 calc R U P B 1
C62 C 0.838(6) 0.610(6) -0.011(5) 0.157(14) Uani 0.30(3) 1 d D U P B 1
H62A H 0.8596 0.5648 -0.0074 0.236 Uiso 0.30(3) 1 calc R U P B 1
H62B H 0.8462 0.6314 0.0222 0.236 Uiso 0.30(3) 1 calc R U P B 1
H62C H 0.8781 0.6304 -0.0391 0.236 Uiso 0.30(3) 1 calc R U P B 1
C60 C 0.644(3) 0.663(3) -0.037(4) 0.123(8) Uani 0.30(3) 1 d D U P B 1
H60A H 0.6663 0.6892 -0.0680 0.147 Uiso 0.30(3) 1 calc R U P B 1
H60B H 0.6360 0.6915 -0.0069 0.147 Uiso 0.30(3) 1 calc R U P B 1
C61A C 0.729(2) 0.6633(18) -0.0433(16) 0.125(9) Uani 0.70(3) 1 d D U P B 2
H61C H 0.7389 0.6506 -0.0805 0.150 Uiso 0.70(3) 1 calc R U P B 2
H61D H 0.7117 0.7097 -0.0434 0.150 Uiso 0.70(3) 1 calc R U P B 2
C62A C 0.829(3) 0.653(3) -0.016(2) 0.157(14) Uani 0.70(3) 1 d D U P B 2
H62D H 0.8800 0.6772 -0.0344 0.236 Uiso 0.70(3) 1 calc R U P B 2
H62E H 0.8483 0.6071 -0.0160 0.236 Uiso 0.70(3) 1 calc R U P B 2
H62F H 0.8215 0.6669 0.0208 0.236 Uiso 0.70(3) 1 calc R U P B 2
C60A C 0.639(3) 0.627(2) -0.0194(16) 0.123(8) Uani 0.70(3) 1 d D U P B 2
H60C H 0.6563 0.5811 -0.0184 0.147 Uiso 0.70(3) 1 calc R U P B 2
H60D H 0.6269 0.6412 0.0174 0.147 Uiso 0.70(3) 1 calc R U P B 2
C143 C 0.748(4) 0.653(2) 0.1669(19) 0.270(19) Uani 1 1 d D U . . .
H14J H 0.7288 0.6951 0.1507 0.324 Uiso 1 1 calc R U . . .
H14K H 0.7372 0.6568 0.2055 0.324 Uiso 1 1 calc R U . . .
C48 C -0.181(4) 0.797(2) 0.618(2) 0.28(3) Uani 1 1 d D U . . .
H48A H -0.2043 0.7565 0.6324 0.418 Uiso 1 1 calc R U . . .
H48B H -0.2371 0.8214 0.6025 0.418 Uiso 1 1 calc R U . . .
H48C H -0.1549 0.8222 0.6465 0.418 Uiso 1 1 calc R U . . .
C144 C 0.859(3) 0.640(5) 0.155(5) 0.60(9) Uani 1 1 d D U . . .
H14L H 0.8971 0.6746 0.1689 0.897 Uiso 1 1 calc R U . . .
H14M H 0.8712 0.6372 0.1170 0.897 Uiso 1 1 calc R U . . .
H14N H 0.8798 0.5994 0.1721 0.897 Uiso 1 1 calc R U . . .
C142 C 0.680(2) 0.603(2) 0.147(2) 0.230(16) Uani 1 1 d D U . . .
H14O H 0.7020 0.5920 0.1107 0.276 Uiso 1 1 calc R U . . .
H14P H 0.6897 0.5635 0.1691 0.276 Uiso 1 1 calc R U . . .
C35 C 0.281(3) 1.0634(12) 0.2677(16) 0.181(13) Uani 1 1 d D U . . .
H35A H 0.2738 1.0534 0.3059 0.217 Uiso 1 1 calc R U . . .
H35B H 0.2185 1.0521 0.2513 0.217 Uiso 1 1 calc R U . . .
C34 C 0.362(2) 1.0234(9) 0.2455(11) 0.138(8) Uani 1 1 d D U . . .
H34A H 0.4238 1.0443 0.2539 0.165 Uiso 1 1 calc R U . . .
H34B H 0.3562 1.0269 0.2067 0.165 Uiso 1 1 calc R U . . .
C43 C 0.415(2) 1.0512(13) 0.4325(10) 0.114(7) Uani 1 1 d . U . . .
H43A H 0.4683 1.0195 0.4232 0.137 Uiso 1 1 calc R U . . .
H43B H 0.4005 1.0768 0.4003 0.137 Uiso 1 1 calc R U . . .
C44 C 0.451(3) 1.0926(18) 0.4704(13) 0.176(13) Uani 1 1 d . U . . .
H44A H 0.5110 1.1125 0.4560 0.264 Uiso 1 1 calc R U . . .
H44B H 0.4666 1.0680 0.5025 0.264 Uiso 1 1 calc R U . . .
H44C H 0.4001 1.1258 0.4788 0.264 Uiso 1 1 calc R U . . .
C140 C 0.048(3) 0.520(3) 0.1021(18) 0.233(15) Uani 1 1 d D U . . .
H14G H -0.0129 0.5033 0.1188 0.350 Uiso 1 1 calc R U . . .
H14H H 0.0650 0.4960 0.0701 0.350 Uiso 1 1 calc R U . . .
H14I H 0.0366 0.5653 0.0928 0.350 Uiso 1 1 calc R U . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 0 0.180
0 1 0 0.085
0 0 -1 0.149
0 0 1 0.149
1 0 0 0.186
-1 0 0 0.105
0 1 1 0.122
0 -1 -1 0.202
1 0 1 0.192
-1 0 -1 0.124
-1 0 1 0.134
1 0 -1 0.187
-1 -1 0 0.111
1 1 0 0.133
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
O7 Sn5 C49 115.2(5) . .
O7 Sn5 O7 72.9(3) . 2_576
C49 Sn5 O7 97.9(5) . 2_576
O7 Sn5 O8 71.8(3) . .
C49 Sn5 O8 97.5(5) . .
O7 Sn5 O8 144.8(3) 2_576 .
O7 Sn5 C45 112.8(5) . .
C49 Sn5 C45 132.0(6) . .
O7 Sn5 C45 98.2(5) 2_576 .
O8 Sn5 C45 94.6(5) . .
O1 Sn3 C33 113.0(5) . .
O1 Sn3 C29 108.0(6) . .
C33 Sn3 C29 138.4(7) . .
O1 Sn3 O5 88.5(3) . .
C33 Sn3 O5 93.5(6) . .
C29 Sn3 O5 94.1(6) . .
O1 Sn3 O3 72.1(3) . .
C33 Sn3 O3 94.4(5) . .
C29 Sn3 O3 91.7(6) . .
O5 Sn3 O3 160.6(3) . .
O7 Sn4 C41 110.9(6) . .
O7 Sn4 C37 116.3(5) . .
C41 Sn4 C37 132.8(6) . .
O7 Sn4 O6 77.6(3) . .
C41 Sn4 O6 95.3(7) . .
C37 Sn4 O6 97.0(5) . .
O7 Sn4 O8 71.7(3) . .
C41 Sn4 O8 96.1(6) . .
C37 Sn4 O8 95.9(5) . .
O6 Sn4 O8 149.3(3) . .
O9 Sn6 O11 72.2(4) . .
O9 Sn6 C117 118.0(5) . .
O11 Sn6 C117 98.0(6) . .
O9 Sn6 O10 72.4(4) . .
O11 Sn6 O10 144.5(4) . .
C117 Sn6 O10 97.6(5) . .
O9 Sn6 C113 114.8(5) . .
O11 Sn6 C113 96.7(5) . .
C117 Sn6 C113 127.2(6) . .
O10 Sn6 C113 98.8(5) . .
O1 Sn1 O3 73.2(3) . .
O1 Sn1 C17 112.9(5) . .
O3 Sn1 C17 95.7(5) . .
O1 Sn1 C13 115.5(5) . .
O3 Sn1 C13 97.1(6) . .
C17 Sn1 C13 131.7(6) . .
O1 Sn1 O2 71.8(4) . .
O3 Sn1 O2 144.9(4) . .
C17 Sn1 O2 99.8(5) . .
C13 Sn1 O2 95.7(6) . .
O1 Sn2 O4 88.8(4) . .
O1 Sn2 C21 117.0(9) . .
O4 Sn2 C21 102.2(9) . .
O1 Sn2 C25 116.2(6) . .
O4 Sn2 C25 89.5(6) . .
C21 Sn2 C25 125.6(10) . .
O1 Sn2 O2 72.4(3) . .
O4 Sn2 O2 160.6(4) . .
C21 Sn2 O2 90.8(8) . .
C25 Sn2 O2 94.6(6) . .
O9 Sn8 C129 110.3(6) . .
O9 Sn8 C133 111.2(6) . .
C129 Sn8 C133 138.5(7) . .
O9 Sn8 O13 86.9(4) . .
C129 Sn8 O13 94.3(7) . .
C133 Sn8 O13 88.7(5) . .
O9 Sn8 O11 71.5(4) . .
C129 Sn8 O11 96.2(6) . .
C133 Sn8 O11 96.0(5) . .
O13 Sn8 O11 158.2(4) . .
O9 Sn7 C125 110.9(6) . .
O9 Sn7 C121 113.6(6) . .
C125 Sn7 C121 135.4(8) . .
O9 Sn7 O12 89.0(4) . .
C125 Sn7 O12 96.2(8) . .
C121 Sn7 O12 87.7(6) . .
O9 Sn7 O10 71.8(4) . .
C125 Sn7 O10 94.8(8) . .
C121 Sn7 O10 95.9(6) . .
O12 Sn7 O10 160.3(4) . .
O15 Sn10 C149 118.0(9) . .
O15 Sn10 C145 116.2(7) . .
C149 Sn10 C145 125.6(9) . .
O15 Sn10 O15 73.0(6) . 2_665
C149 Sn10 O15 100.5(8) . 2_665
C145 Sn10 O15 99.4(9) . 2_665
O15 Sn10 O16 71.1(5) . .
C149 Sn10 O16 96.7(9) . .
C145 Sn10 O16 95.7(9) . .
O15 Sn10 O16 144.1(4) 2_665 .
O15 Sn9 C141 118.0(10) . .
O15 Sn9 O14 78.6(5) . .
C141 Sn9 O14 99.3(9) . .
O15 Sn9 O16 72.4(5) . .
C141 Sn9 O16 92.9(8) . .
O14 Sn9 O16 150.9(5) . .
O15 Sn9 C137 108.4(10) . .
C141 Sn9 C137 132.9(12) . .
O14 Sn9 C137 97.0(8) . .
O16 Sn9 C137 93.7(8) . .
Sn2 O1 Sn3 137.3(4) . .
Sn2 O1 Sn1 111.6(4) . .
Sn3 O1 Sn1 110.6(4) . .
Sn4 O7 Sn5 115.0(4) . .
Sn4 O7 Sn5 137.9(4) . 2_576
Sn5 O7 Sn5 107.1(3) . 2_576
C55 O5 Sn3 137.0(8) . .
Sn8 O9 Sn7 136.0(5) . .
Sn8 O9 Sn6 112.2(4) . .
Sn7 O9 Sn6 111.8(5) . .
C118 C117 Sn6 115.8(10) . .
C118 C117 117A 108.7 . .
Sn6 C117 117A 108.7 . .
C118 C117 117B 108.1 . .
Sn6 C117 117B 107.7 . .
117A C117 117B 107.5 . .
C50 C49 Sn5 119.0(10) . .
C50 C49 H49A 106.5 . .
Sn5 C49 H49A 107.0 . .
C50 C49 H49B 108.3 . .
Sn5 C49 H49B 108.5 . .
H49A C49 H49B 107.0 . .
C155 O14 Sn9 119.4(11) . .
C56 O8 Sn5 128.1(10) . .
C56 O8 Sn4 128.0(10) . .
Sn5 O8 Sn4 101.4(3) . .
C54 O3 Sn1 128.5(9) . .
C54 O3 Sn3 127.8(9) . .
Sn1 O3 Sn3 103.6(4) . .
C53 O2 Sn1 128.2(10) . .
C53 O2 Sn2 127.3(10) . .
Sn1 O2 Sn2 104.1(4) . .
C154 O11 Sn6 126.4(10) . .
C154 O11 Sn8 130.4(10) . .
Sn6 O11 Sn8 103.1(4) . .
C122 C121 Sn7 125.1(13) . .
C122 C121 121A 106.1 . .
Sn7 C121 121A 105.3 . .
C122 C121 121B 105.0 . .
Sn7 C121 121B 107.5 . .
121A C121 121B 106.5 . .
C115 C114 C113 111.8(14) . .
C115 C114 114A 109.6 . .
C113 C114 114A 109.1 . .
C115 C114 114B 109.3 . .
C113 C114 114B 109.1 . .
114A C114 114B 108.0 . .
C55 O4 Sn2 137.4(10) . .
C14 C13 Sn1 117.3(16) . .
C14 C13 H13A 106.8 . .
Sn1 C13 H13A 108.6 . .
C14 C13 H13B 107.4 . .
Sn1 C13 H13B 108.9 . .
H13A C13 H13B 107.6 . .
O2 C53 H53A 109.6 . .
O2 C53 H53B 108.5 . .
H53A C53 H53B 109.5 . .
O2 C53 H53C 110.3 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C117 C118 C119 112.4(15) . .
C117 C118 118A 109.3 . .
C119 C118 118A 109.4 . .
C117 C118 118B 109.9 . .
C119 C118 118B 107.5 . .
118A C118 118B 108.1 . .
C38 C37 Sn4 116.1(10) . .
C38 C37 H37A 108.5 . .
Sn4 C37 H37A 109.2 . .
C38 C37 H37B 107.7 . .
Sn4 C37 H37B 107.6 . .
H37A C37 H37B 107.4 . .
C156 O16 Sn9 135.7(17) . .
C156 O16 Sn10 122.4(15) . .
Sn9 O16 Sn10 100.8(5) . .
O3 C54 H54A 108.7 . .
O3 C54 H54B 110.0 . .
H54A C54 H54B 109.5 . .
O3 C54 H54C 109.7 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C46 C45 Sn5 111.5(11) . .
C46 C45 H45A 109.5 . .
Sn5 C45 H45A 108.5 . .
C46 C45 H45B 109.7 . .
Sn5 C45 H45B 109.3 . .
H45A C45 H45B 108.3 . .
C51 C50 C49 113.5(14) . .
C51 C50 H50A 108.0 . .
C49 C50 H50A 109.0 . .
C51 C50 H50B 110.1 . .
C49 C50 H50B 108.7 . .
H50A C50 H50B 107.4 . .
O11 C154 154A 108.7 . .
O11 C154 154B 111.0 . .
154A C154 154B 109.5 . .
O11 C154 154C 108.7 . .
154A C154 154C 109.5 . .
154B C154 154C 109.5 . .
Sn9 O15 Sn10 115.7(7) . .
Sn9 O15 Sn10 137.3(6) . 2_665
Sn10 O15 Sn10 107.0(6) . 2_665
C153 O10 Sn6 128.9(12) . .
C153 O10 Sn7 126.6(12) . .
Sn6 O10 Sn7 103.1(5) . .
C155 O13 Sn8 130.4(11) . .
C38 C39 C40 116.6(17) . .
C38 C39 H39A 108.0 . .
C40 C39 H39A 105.7 . .
C38 C39 H39B 108.6 . .
C40 C39 H39B 110.2 . .
H39A C39 H39B 107.3 . .
C155 O12 Sn7 133.5(10) . .
C121 C122 C123 119.0(18) . .
C121 C122 122A 106.6 . .
C123 C122 122A 107.5 . .
C121 C122 122B 107.4 . .
C123 C122 122B 108.6 . .
122A C122 122B 107.2 . .
C34 C33 Sn3 117.2(17) . .
C34 C33 H33A 110.9 . .
Sn3 C33 H33A 110.8 . .
C34 C33 H33B 98.2 . .
Sn3 C33 H33B 110.3 . .
H33A C33 H33B 108.5 . .
C22 C21 Sn2 121(2) . .
C22 C21 H21A 123.7 . .
Sn2 C21 H21A 108.4 . .
C22 C21 H21B 92.0 . .
Sn2 C21 H21B 99.0 . .
H21A C21 H21B 105.0 . .
C30 C29 Sn3 121.5(16) . .
C30 C29 H29A 105.6 . .
Sn3 C29 H29A 105.8 . .
C30 C29 H29B 108.9 . .
Sn3 C29 H29B 107.5 . .
H29A C29 H29B 106.6 . .
C26 C25 Sn2 118.0(12) . .
C26 C25 H25A 108.6 . .
Sn2 C25 H25A 108.8 . .
C26 C25 H25B 106.4 . .
Sn2 C25 H25B 107.5 . .
H25A C25 H25B 107.1 . .
C25 C26 C27 116.8(16) . .
C25 C26 H26A 106.9 . .
C27 C26 H26A 108.6 . .
C25 C26 H26B 109.1 . .
C27 C26 H26B 107.5 . .
H26A C26 H26B 107.5 . .
C18 C17 Sn1 118.6(10) . .
C18 C17 H17A 107.8 . .
Sn1 C17 H17A 107.6 . .
C18 C17 H17B 107.5 . .
Sn1 C17 H17B 107.8 . .
H17A C17 H17B 107.1 . .
C118 C119 C120 113.4(18) . .
C118 C119 119A 109.4 . .
C120 C119 119A 111.0 . .
C118 C119 119B 107.5 . .
C120 C119 119B 107.2 . .
119A C119 119B 108.1 . .
O5 C55 O4 124.7(12) . .
O5 C55 O6 120.6(13) . .
O4 C55 O6 114.6(13) . .
C114 C115 C116 113.0(16) . .
C114 C115 115A 109.3 . .
C116 C115 115A 110.6 . .
C114 C115 115B 109.0 . .
C116 C115 115B 106.9 . .
115A C115 115B 107.8 . .
C114 C113 Sn6 115.7(10) . .
C114 C113 113A 108.2 . .
Sn6 C113 113A 108.3 . .
C114 C113 113B 108.2 . .
Sn6 C113 113B 108.7 . .
113A C113 113B 107.5 . .
C146 C145 Sn10 113.7(14) . .
C146 C145 145A 111.3 . .
Sn10 C145 145A 107.0 . .
C146 C145 145B 109.5 . .
Sn10 C145 145B 108.0 . .
145A C145 145B 107.1 . .
C55 O6 Sn4 123.7(9) . .
O8 C56 H56A 109.1 . .
O8 C56 H56B 109.8 . .
H56A C56 H56B 109.5 . .
O8 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C13 C14 C15 117(3) . .
C13 C14 H14A 109.3 . .
C15 C14 H14A 109.7 . .
C13 C14 H14B 108.4 . .
C15 C14 H14B 103.8 . .
H14A C14 H14B 108.5 . .
C138 C137 Sn9 121(2) . .
C138 C137 137A 107.4 . .
Sn9 C137 137A 107.3 . .
C138 C137 137B 106.6 . .
Sn9 C137 137B 106.5 . .
137A C137 137B 106.9 . .
C42 C41 Sn4 117.5(13) . .
C42 C41 H41A 106.6 . .
Sn4 C41 H41A 107.0 . .
C42 C41 H41B 109.9 . .
Sn4 C41 H41B 108.4 . .
H41A C41 H41B 106.8 . .
C119 C120 120A 111.1 . .
C119 C120 120B 106.3 . .
120A C120 120B 109.5 . .
C119 C120 120C 111.0 . .
120A C120 120C 109.5 . .
120B C120 120C 109.5 . .
C29 C30 C31 119(2) . .
C29 C30 H30A 109.0 . .
C31 C30 H30A 108.0 . .
C29 C30 H30B 105.5 . .
C31 C30 H30B 108.4 . .
H30A C30 H30B 106.7 . .
C19 C18 C17 113.4(14) . .
C19 C18 H18A 108.6 . .
C17 C18 H18A 109.2 . .
C19 C18 H18B 108.9 . .
C17 C18 H18B 108.9 . .
H18A C18 H18B 107.8 . .
C124 C123 C122 118(2) . .
C124 C123 123A 105.1 . .
C122 C123 123A 108.4 . .
C124 C123 123B 110.3 . .
C122 C123 123B 107.3 . .
123A C123 123B 107.0 . .
O10 C153 153A 110.7 . .
O10 C153 153B 109.2 . .
153A C153 153B 109.5 . .
O10 C153 153C 108.6 . .
153A C153 153C 109.5 . .
153B C153 153C 109.5 . .
C147 C146 C145 111(2) . .
C147 C146 146A 112.7 . .
C145 C146 146A 110.4 . .
C147 C146 146B 107.4 . .
C145 C146 146B 108.2 . .
146A C146 146B 106.5 . .
O16 C156 156A 109.1 . .
O16 C156 156B 108.6 . .
156A C156 156B 109.5 . .
O16 C156 156C 110.7 . .
156A C156 156C 109.4 . .
156B C156 156C 109.5 . .
C37 C38 C39 114.0(13) . .
C37 C38 H38A 108.2 . .
C39 C38 H38A 108.7 . .
C37 C38 H38B 109.0 . .
C39 C38 H38B 109.3 . .
H38A C38 H38B 107.6 . .
O13 C155 O14 120.1(16) . .
O13 C155 O12 122.1(16) . .
O14 C155 O12 117.6(13) . .
C134 C133 Sn8 118.4(11) . .
C134 C133 133A 108.0 . .
Sn8 C133 133A 108.3 . .
C134 C133 133B 107.1 . .
Sn8 C133 133B 107.4 . .
133A C133 133B 107.2 . .
C18 C19 C20 112.6(16) . .
C18 C19 H19A 109.0 . .
C20 C19 H19A 109.5 . .
C18 C19 H19B 108.6 . .
C20 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
C135 C134 C133 114.5(14) . .
C135 C134 134A 107.1 . .
C133 C134 134A 109.4 . .
C135 C134 134B 109.4 . .
C133 C134 134B 108.3 . .
134A C134 134B 107.9 . .
C136 C135 C134 115.1(19) . .
C136 C135 135A 110.2 . .
C134 C135 135A 110.3 . .
C136 C135 135B 106.8 . .
C134 C135 135B 106.5 . .
135A C135 135B 107.6 . .
C115 C116 116A 107.0 . .
C115 C116 116B 110.0 . .
116A C116 116B 109.5 . .
C115 C116 116C 111.4 . .
116A C116 116C 109.5 . .
116B C116 116C 109.5 . .
C50 C51 C52 112.0(17) . .
C50 C51 H51A 110.4 . .
C52 C51 H51A 109.9 . .
C50 C51 H51B 108.3 . .
C52 C51 H51B 108.7 . .
H51A C51 H51B 107.5 . .
B112 B111 B110 64.5(15) . .
B112 B111 B107 58.2(15) . .
B110 B111 B107 109.5(18) . .
B112 B111 B106 109.8(16) . .
B110 B111 B106 59.2(13) . .
B107 B111 B106 106.8(15) . .
B112 B111 B102 107.3(17) . .
B110 B111 B102 105.6(15) . .
B107 B111 B102 61.0(13) . .
B106 B111 B102 56.8(12) . .
B112 B111 H111 119.6 . .
B110 B111 H111 120.1 . .
B107 B111 H111 122.0 . .
B106 B111 H111 123.1 . .
B102 B111 H111 124.5 . .
C51 C52 H52A 109.2 . .
C51 C52 H52B 108.4 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 110.9 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C41 C42 C43 116.0(19) . .
C41 C42 H42A 110.2 . .
C43 C42 H42A 109.1 . .
C41 C42 H42B 106.9 . .
C43 C42 H42B 107.3 . .
H42A C42 H42B 107.0 . .
C19 C20 H20A 109.7 . .
C19 C20 H20B 109.6 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.1 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C27 C28 115.0(19) . .
C26 C27 H27A 109.1 . .
C28 C27 H27A 108.3 . .
C26 C27 H27B 108.0 . .
C28 C27 H27B 108.4 . .
H27A C27 H27B 107.7 . .
B102 B106 B110 109.5(18) . .
B102 B106 B104 63.1(13) . .
B110 B106 B104 107.3(17) . .
B102 B106 B105 110.9(18) . .
B110 B106 B105 59.1(13) . .
B104 B106 B105 59.6(14) . .
B102 B106 B111 62.5(13) . .
B110 B106 B111 58.4(13) . .
B104 B106 B111 111.0(17) . .
B105 B106 B111 107.2(17) . .
B102 B106 H106 119.0 . .
B110 B106 H106 122.6 . .
B104 B106 H106 120.5 . .
B105 B106 H106 121.5 . .
B111 B106 H106 121.4 . .
C130 C129 Sn8 113.1(13) . .
C130 C129 129A 109.3 . .
Sn8 C129 129A 109.9 . .
C130 C129 129B 108.1 . .
Sn8 C129 129B 108.7 . .
129A C129 129B 107.6 . .
C101 B104 B106 106.6(16) . .
C101 B104 B105 59.8(14) . .
B106 B104 B105 61.1(13) . .
C101 B104 B103 62.2(14) . .
B106 B104 B103 105.5(15) . .
B105 B104 B103 110.6(17) . .
C101 B104 B102 106.6(15) . .
B106 B104 B102 57.6(12) . .
B105 B104 B102 107.8(15) . .
B103 B104 B102 58.2(13) . .
C101 B104 H101 121.3 . .
B106 B104 H101 124.0 . .
B105 B104 H101 120.0 . .
B103 B104 H101 121.0 . .
B102 B104 H101 124.1 . .
C131 C130 C129 117.1(17) . .
C131 C130 130A 105.4 . .
C129 C130 130A 109.8 . .
C131 C130 130B 107.5 . .
C129 C130 130B 108.7 . .
130A C130 130B 107.9 . .
C47 C46 C45 114(2) . .
C47 C46 H46A 107.9 . .
C45 C46 H46A 110.3 . .
C47 C46 H46B 105.2 . .
C45 C46 H46B 110.2 . .
H46A C46 H46B 108.7 . .
B106 B102 B103 108.0(18) . .
B106 B102 B104 59.3(12) . .
B103 B102 B104 59.5(13) . .
B106 B102 B107 107.3(18) . .
B103 B102 B107 61.5(13) . .
B104 B102 B107 107.5(17) . .
B106 B102 B111 60.7(12) . .
B103 B102 B111 107.4(18) . .
B104 B102 B111 106.7(16) . .
B107 B102 B111 57.8(13) . .
B106 B102 H102 121.2 . .
B103 B102 H102 121.3 . .
B104 B102 H102 122.0 . .
B107 B102 H102 122.8 . .
B111 B102 H102 123.1 . .
B109 C101 B104 108.8(18) . .
B109 C101 B105 60.9(15) . .
B104 C101 B105 61.1(14) . .
B109 C101 B108 60.4(15) . .
B104 C101 B108 112.5(17) . .
B105 C101 B108 112.4(17) . .
B109 C101 B103 108.4(17) . .
B104 C101 B103 60.2(13) . .
B105 C101 B103 110.0(17) . .
B108 C101 B103 62.6(14) . .
B109 C101 H104 122.2 . .
B104 C101 H104 120.4 . .
B105 C101 H104 119.6 . .
B108 C101 H104 118.2 . .
B103 C101 H104 121.0 . .
C32 C31 C30 112(3) . .
C32 C31 H31A 112.0 . .
C30 C31 H31A 109.5 . .
C32 C31 H31B 106.8 . .
C30 C31 H31B 108.8 . .
H31A C31 H31B 107.2 . .
C135 C136 136A 110.6 . .
C135 C136 136B 109.8 . .
136A C136 136B 109.5 . .
C135 C136 136C 108.0 . .
136A C136 136C 109.5 . .
136B C136 136C 109.5 . .
C101 B109 B105 62.5(15) . .
C101 B109 B110 111(2) . .
B105 B109 B110 61.0(14) . .
C101 B109 B108 63.8(15) . .
B105 B109 B108 117(2) . .
B110 B109 B108 114(2) . .
C101 B109 B112 112(2) . .
B105 B109 B112 114(2) . .
B110 B109 B112 63.1(15) . .
B108 B109 B112 60.7(15) . .
C101 B109 H109 120.5 . .
B105 B109 H109 115.9 . .
B110 B109 H109 117.2 . .
B108 B109 H109 119.0 . .
B112 B109 H109 119.8 . .
B109 B105 C101 56.6(14) . .
B109 B105 B110 59.7(14) . .
C101 B105 B110 105.5(18) . .
B109 B105 B104 103.8(19) . .
C101 B105 B104 59.1(14) . .
B110 B105 B104 107.2(17) . .
B109 B105 B106 104.0(17) . .
C101 B105 B106 104.6(18) . .
B110 B105 B106 59.2(13) . .
B104 B105 B106 59.3(13) . .
B109 B105 H105 125.7 . .
C101 B105 H105 125.8 . .
B110 B105 H105 120.7 . .
B104 B105 H105 122.9 . .
B106 B105 H105 122.2 . .
C128 C127 C126 111(2) . .
C128 C127 127A 108.5 . .
C126 C127 127A 108.8 . .
C128 C127 127B 109.8 . .
C126 C127 127B 110.5 . .
127A C127 127B 108.3 . .
B9 B12 B8 68(2) . .
B9 B12 B10 54.3(18) . .
B8 B12 B10 110(2) . .
B9 B12 B11 100(2) . .
B8 B12 B11 101(2) . .
B10 B12 B11 59.0(18) . .
B9 B12 B7 107(2) . .
B8 B12 B7 59.7(19) . .
B10 B12 B7 100(2) . .
B11 B12 B7 50.5(17) . .
B9 B12 H12 123.8 . .
B8 B12 H12 118.1 . .
B10 B12 H12 126.0 . .
B11 B12 H12 128.4 . .
B7 B12 H12 124.3 . .
B7 B11 B2 66(2) . .
B7 B11 B10 115(3) . .
B2 B11 B10 105(2) . .
B7 B11 B6 108(3) . .
B2 B11 B6 52.7(17) . .
B10 B11 B6 58.8(18) . .
B7 B11 B12 68(2) . .
B2 B11 B12 115(3) . .
B10 B11 B12 60.1(18) . .
B6 B11 B12 107(2) . .
B7 B11 H11 118.0 . .
B2 B11 H11 120.9 . .
B10 B11 H11 119.7 . .
B6 B11 H11 123.4 . .
B12 B11 H11 119.6 . .
B112 B107 B111 58.6(15) . .
B112 B107 B108 60.5(15) . .
B111 B107 B108 107.3(19) . .
B112 B107 B102 107.8(19) . .
B111 B107 B102 61.2(13) . .
B108 B107 B102 107.3(17) . .
B112 B107 B103 108.9(19) . .
B111 B107 B103 106.7(17) . .
B108 B107 B103 61.6(14) . .
B102 B107 B103 57.2(13) . .
B112 B107 H107 121.3 . .
B111 B107 H107 122.1 . .
B108 B107 H107 121.4 . .
B102 B107 H107 122.5 . .
B103 B107 H107 122.4 . .
C123 C124 124A 110.4 . .
C123 C124 124B 111.0 . .
124A C124 124B 109.5 . .
C123 C124 124C 107.0 . .
124A C124 124C 109.5 . .
124B C124 124C 109.4 . .
C130 C131 C132 109.8(19) . .
C130 C131 131A 109.0 . .
C132 C131 131A 112.1 . .
C130 C131 131B 107.0 . .
C132 C131 131B 110.0 . .
131A C131 131B 108.8 . .
B109 B110 B111 105(2) . .
B109 B110 B105 59.3(14) . .
B111 B110 B105 112.6(19) . .
B109 B110 B106 105.6(18) . .
B111 B110 B106 62.4(13) . .
B105 B110 B106 61.7(13) . .
B109 B110 B112 59.7(15) . .
B111 B110 B112 56.7(14) . .
B105 B110 B112 109.4(19) . .
B106 B110 B112 106.3(18) . .
B109 B110 H110 123.4 . .
B111 B110 H110 121.4 . .
B105 B110 H110 119.0 . .
B106 B110 H110 122.7 . .
B112 B110 H110 122.5 . .
C27 C28 H28A 109.4 . .
C27 C28 H28B 109.4 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.6 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C125 C126 C127 111(2) . .
C125 C126 126A 110.9 . .
C127 C126 126A 109.9 . .
C125 C126 126B 108.7 . .
C127 C126 126B 108.3 . .
126A C126 126B 107.9 . .
C126 C125 Sn7 115.6(16) . .
C126 C125 125A 107.5 . .
Sn7 C125 125A 108.0 . .
C126 C125 125B 109.9 . .
Sn7 C125 125B 108.1 . .
125A C125 125B 107.3 . .
B102 B103 B104 62.3(13) . .
B102 B103 C101 106.3(18) . .
B104 B103 C101 57.6(13) . .
B102 B103 B107 61.4(13) . .
B104 B103 B107 109.5(18) . .
C101 B103 B107 104.0(18) . .
B102 B103 B108 108.2(18) . .
B104 B103 B108 106.3(19) . .
C101 B103 B108 57.9(14) . .
B107 B103 B108 58.7(14) . .
B102 B103 H103 120.7 . .
B104 B103 H103 121.2 . .
C101 B103 H103 125.0 . .
B107 B103 H103 122.3 . .
B108 B103 H103 122.8 . .
B11 B7 B2 61(2) . .
B11 B7 B8 107(3) . .
B2 B7 B8 107(2) . .
B11 B7 B3 109(2) . .
B2 B7 B3 59.4(18) . .
B8 B7 B3 61.0(18) . .
B11 B7 B12 62(2) . .
B2 B7 B12 108(2) . .
B8 B7 B12 56.0(18) . .
B3 B7 B12 106(2) . .
B11 B7 H7 120.0 . .
B2 B7 H7 121.9 . .
B8 B7 H7 123.2 . .
B3 B7 H7 121.6 . .
B12 B7 H7 123.3 . .
C127 C128 128A 109.0 . .
C127 C128 128B 109.4 . .
128A C128 128B 109.5 . .
C127 C128 128C 110.0 . .
128A C128 128C 109.5 . .
128B C128 128C 109.5 . .
B107 B112 B111 63.2(16) . .
B107 B112 B108 63.3(16) . .
B111 B112 B108 113.1(19) . .
B107 B112 B109 107.2(18) . .
B111 B112 B109 105.0(17) . .
B108 B112 B109 58.4(15) . .
B107 B112 B110 109.0(18) . .
B111 B112 B110 58.8(14) . .
B108 B112 B110 107.1(17) . .
B109 B112 B110 57.2(14) . .
B107 B112 H112 117.8 . .
B111 B112 H112 121.4 . .
B108 B112 H112 117.5 . .
B109 B112 H112 125.6 . .
B110 B112 H112 125.6 . .
C60 C149 Sn10 137(3) . .
C60A C149 Sn10 105.7(16) . .
C60 C149 H14C 102.8 . .
Sn10 C149 H14C 102.8 . .
C60 C149 H14D 102.8 . .
Sn10 C149 H14D 102.8 . .
H14C C149 H14D 105.0 . .
C39 C40 H40A 111.0 . .
C39 C40 H40B 108.6 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 108.8 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
B3 C1 B4 73.9(19) . .
B3 C1 B5 113(2) . .
B4 C1 B5 58.2(18) . .
B3 C1 B2 62.3(18) . .
B4 C1 B2 116(2) . .
B5 C1 B2 98(2) . .
B3 C1 B6 103(2) . .
B4 C1 B6 102(2) . .
B5 C1 B6 53.2(17) . .
B2 C1 B6 51.0(16) . .
B3 C1 H1 114.8 . .
B4 C1 H1 118.8 . .
B5 C1 H1 128.0 . .
B2 C1 H1 121.2 . .
B6 C1 H1 129.9 . .
C131 C132 132A 110.5 . .
C131 C132 132B 106.3 . .
132A C132 132B 109.5 . .
C131 C132 132C 111.6 . .
132A C132 132C 109.5 . .
132B C132 132C 109.5 . .
B109 B108 B112 61.0(15) . .
B109 B108 C101 55.8(14) . .
B112 B108 C101 105.4(19) . .
B109 B108 B107 103.7(19) . .
B112 B108 B107 56.2(15) . .
C101 B108 B107 106.1(18) . .
B109 B108 B103 102.4(18) . .
B112 B108 B103 104.0(18) . .
C101 B108 B103 59.5(13) . .
B107 B108 B103 59.7(14) . .
B109 B108 H108 124.9 . .
B112 B108 H108 123.4 . .
C101 B108 H108 123.2 . .
B107 B108 H108 123.7 . .
B103 B108 H108 123.9 . .
C142 C141 Sn9 123(3) . .
C142 C141 H14E 106.5 . .
Sn9 C141 H14E 106.5 . .
C142 C141 H14F 106.5 . .
Sn9 C141 H14F 106.5 . .
H14E C141 H14F 106.5 . .
B10 B9 B5 64(2) . .
B10 B9 B12 65(2) . .
B5 B9 B12 116(3) . .
B10 B9 B4 114(3) . .
B5 B9 B4 58.4(19) . .
B12 B9 B4 117(3) . .
B10 B9 B8 109(3) . .
B5 B9 B8 109(2) . .
B12 B9 B8 56.5(18) . .
B4 B9 B8 67.1(19) . .
B10 B9 H9 118.0 . .
B5 B9 H9 120.0 . .
B12 B9 H9 116.8 . .
B4 B9 H9 115.9 . .
B8 B9 H9 122.5 . .
B9 B10 B6 104(3) . .
B9 B10 B5 61(2) . .
B6 B10 B5 54.8(18) . .
B9 B10 B11 107(3) . .
B6 B10 B11 60.9(18) . .
B5 B10 B11 105(3) . .
B9 B10 B12 60(2) . .
B6 B10 B12 109(3) . .
B5 B10 B12 110(3) . .
B11 B10 B12 60.9(18) . .
B9 B10 H10 117.9 . .
B6 B10 H10 128.7 . .
B5 B10 H10 122.4 . .
B11 B10 H10 125.7 . .
B12 B10 H10 116.9 . .
C147 C148 148A 107.2 . .
C147 C148 148B 114.0 . .
148A C148 148B 109.5 . .
C147 C148 148C 107.2 . .
148A C148 148C 109.5 . .
148B C148 148C 109.5 . .
B6 B2 B11 65(2) . .
B6 B2 C1 65.5(19) . .
B11 B2 C1 113(2) . .
B6 B2 B7 108(3) . .
B11 B2 B7 53.1(18) . .
C1 B2 B7 107(2) . .
B6 B2 B3 109(3) . .
B11 B2 B3 105(2) . .
C1 B2 B3 56.0(17) . .
B7 B2 B3 61.3(19) . .
B6 B2 H2 117.3 . .
B11 B2 H2 121.7 . .
C1 B2 H2 119.5 . .
B7 B2 H2 124.7 . .
B3 B2 H2 124.0 . .
B6 B2 H2 117.9 . .
B11 B2 H2 121.9 . .
C1 B2 H2 119.6 . .
B7 B2 H2 124.3 . .
B3 B2 H2 123.5 . .
H2 B2 H2 0.6 . .
C48 C47 C46 112(3) . .
C48 C47 H47A 109.3 . .
C46 C47 H47A 109.3 . .
C48 C47 H47B 109.3 . .
C46 C47 H47B 109.3 . .
H47A C47 H47B 108.0 . .
B2 B6 B5 116(3) . .
B2 B6 B10 114(3) . .
B5 B6 B10 63(2) . .
B2 B6 B11 62(2) . .
B5 B6 B11 111(3) . .
B10 B6 B11 60.3(18) . .
B2 B6 C1 64(2) . .
B5 B6 C1 61.2(19) . .
B10 B6 C1 111(2) . .
B11 B6 C1 110(2) . .
B2 B6 H6 116.0 . .
B5 B6 H6 118.0 . .
B10 B6 H6 119.2 . .
B11 B6 H6 121.5 . .
C1 B6 H6 120.6 . .
C148 C147 C146 115(3) . .
C148 C147 147A 108.0 . .
C146 C147 147A 114.2 . .
C148 C147 147B 105.0 . .
C146 C147 147B 106.8 . .
147A C147 147B 106.9 . .
B6 B5 B4 113(3) . .
B6 B5 B9 106(2) . .
B4 B5 B9 62(2) . .
B6 B5 B10 63(2) . .
B4 B5 B10 111(3) . .
B9 B5 B10 55.5(18) . .
B6 B5 C1 66(2) . .
B4 B5 C1 59.0(18) . .
B9 B5 C1 107(2) . .
B10 B5 C1 114(2) . .
B6 B5 H5 118.7 . .
B4 B5 H5 119.2 . .
B9 B5 H5 125.5 . .
B10 B5 H5 120.0 . .
C1 B5 H5 118.8 . .
C35 C36 H36A 130.6 . .
C35 C36 H36B 104.8 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 90.7 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C138 C139 C140 109(3) . .
C138 C139 H13C 109.9 . .
C140 C139 H13C 109.9 . .
C138 C139 H13D 109.9 . .
C140 C139 H13D 109.9 . .
H13C C139 H13D 108.3 . .
C139 C138 C137 112(3) . .
C139 C138 H13E 109.3 . .
C137 C138 H13E 109.3 . .
C139 C138 H13F 109.3 . .
C137 C138 H13F 109.3 . .
H13E C138 H13F 107.9 . .
C1 B3 B2 61.7(18) . .
C1 B3 B7 110(3) . .
B2 B3 B7 59.3(18) . .
C1 B3 B8 108(2) . .
B2 B3 B8 105(2) . .
B7 B3 B8 58.7(18) . .
C1 B3 B4 53.1(16) . .
B2 B3 B4 100(2) . .
B7 B3 B4 106(2) . .
B8 B3 B4 63.1(18) . .
C1 B3 H3 121.7 . .
B2 B3 H3 124.6 . .
B7 B3 H3 121.2 . .
B8 B3 H3 121.0 . .
B4 B3 H3 125.9 . .
C16 C15 C14 101(4) . .
C16 C15 H15A 111.7 . .
C14 C15 H15A 111.7 . .
C16 C15 H15B 111.7 . .
C14 C15 H15B 111.7 . .
H15A C15 H15B 109.4 . .
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 . .
C24 C23 C22 113.6(16) . .
C24 C23 H23A 108.9 . .
C22 C23 H23A 108.9 . .
C24 C23 H23B 108.9 . .
C22 C23 H23B 108.9 . .
H23A C23 H23B 107.7 . .
C21 C22 C23 109(3) . .
C21 C22 H22A 109.9 . .
C23 C22 H22A 109.9 . .
C21 C22 H22B 109.9 . .
C23 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
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 . .
B5 B4 C1 62.7(19) . .
B5 B4 B9 59.3(19) . .
C1 B4 B9 108(2) . .
B5 B4 B3 101(2) . .
C1 B4 B3 52.9(16) . .
B9 B4 B3 102(2) . .
B5 B4 B8 105(2) . .
C1 B4 B8 100(2) . .
B9 B4 B8 61.0(18) . .
B3 B4 B8 54.1(15) . .
B5 B4 H4 122.3 . .
C1 B4 H4 124.0 . .
B9 B4 H4 121.7 . .
B3 B4 H4 129.4 . .
B8 B4 H4 125.3 . .
B12 B8 B7 64(2) . .
B12 B8 B3 112(3) . .
B7 B8 B3 60.3(18) . .
B12 B8 B9 55.2(18) . .
B7 B8 B9 101(2) . .
B3 B8 B9 101(2) . .
B12 B8 B4 102(2) . .
B7 B8 B4 107(2) . .
B3 B8 B4 62.8(17) . .
B9 B8 B4 51.9(16) . .
B12 B8 H8 121.0 . .
B7 B8 H8 121.4 . .
B3 B8 H8 120.1 . .
B9 B8 H8 130.5 . .
B4 B8 H8 124.7 . .
C60 C61 C62 142(8) . .
C60 C61 H61A 101.6 . .
C62 C61 H61A 101.6 . .
C60 C61 H61B 101.6 . .
C62 C61 H61B 101.6 . .
H61A C61 H61B 104.6 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C60 C149 118(5) . .
C61 C60 H60A 107.7 . .
C149 C60 H60A 107.7 . .
C61 C60 H60B 107.7 . .
C149 C60 H60B 107.7 . .
H60A C60 H60B 107.1 . .
C62A C61A C60A 117(3) . .
C62A C61A H61C 108.1 . .
C60A C61A H61C 108.1 . .
C62A C61A H61D 108.1 . .
C60A C61A H61D 108.1 . .
H61C C61A H61D 107.3 . .
C61A C62A H62D 109.5 . .
C61A C62A H62E 109.5 . .
H62D C62A H62E 109.5 . .
C61A C62A H62F 109.5 . .
H62D C62A H62F 109.5 . .
H62E C62A H62F 109.5 . .
C149 C60A C61A 115(3) . .
C149 C60A H60C 108.5 . .
C61A C60A H60C 108.5 . .
C149 C60A H60D 108.5 . .
C61A C60A H60D 108.5 . .
H60C C60A H60D 107.5 . .
C144 C143 C142 115.0(16) . .
C144 C143 H14J 108.5 . .
C142 C143 H14J 108.5 . .
C144 C143 H14K 108.5 . .
C142 C143 H14K 108.5 . .
H14J C143 H14K 107.5 . .
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 . .
C143 C144 H14L 109.5 . .
C143 C144 H14M 109.5 . .
H14L C144 H14M 109.5 . .
C143 C144 H14N 109.5 . .
H14L C144 H14N 109.5 . .
H14M C144 H14N 109.5 . .
C141 C142 C143 119(4) . .
C141 C142 H14O 107.7 . .
C143 C142 H14O 107.7 . .
C141 C142 H14P 107.7 . .
C143 C142 H14P 107.7 . .
H14O C142 H14P 107.1 . .
C34 C35 C36 115(2) . .
C34 C35 H35A 108.5 . .
C36 C35 H35A 108.5 . .
C34 C35 H35B 108.5 . .
C36 C35 H35B 108.5 . .
H35A C35 H35B 107.5 . .
C35 C34 C33 125(2) . .
C35 C34 H34A 106.1 . .
C33 C34 H34A 106.1 . .
C35 C34 H34B 106.1 . .
C33 C34 H34B 106.1 . .
H34A C34 H34B 106.3 . .
C44 C43 C42 117(3) . .
C44 C43 H43A 107.9 . .
C42 C43 H43A 107.9 . .
C44 C43 H43B 107.9 . .
C42 C43 H43B 107.9 . .
H43A C43 H43B 107.2 . .
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 . .
C139 C140 H14G 109.5 . .
C139 C140 H14H 109.5 . .
H14G C140 H14H 109.5 . .
C139 C140 H14I 109.5 . .
H14G C140 H14I 109.5 . .
H14H C140 H14I 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn5 O7 2.037(7) .
Sn5 C49 2.111(15) .
Sn5 O7 2.131(8) 2_576
Sn5 O8 2.179(9) .
Sn5 C45 2.183(15) .
Sn3 O1 2.048(9) .
Sn3 C33 2.097(18) .
Sn3 C29 2.121(17) .
Sn3 O5 2.158(9) .
Sn3 O3 2.199(9) .
Sn4 O7 1.999(8) .
Sn4 C41 2.118(17) .
Sn4 C37 2.128(14) .
Sn4 O6 2.178(10) .
Sn4 O8 2.219(9) .
Sn6 O9 2.058(10) .
Sn6 O11 2.143(10) .
Sn6 C117 2.147(15) .
Sn6 O10 2.148(10) .
Sn6 C113 2.150(14) .
Sn1 O1 2.080(8) .
Sn1 O3 2.117(10) .
Sn1 C17 2.120(14) .
Sn1 C13 2.137(16) .
Sn1 O2 2.140(10) .
Sn2 O1 2.024(9) .
Sn2 O4 2.106(11) .
Sn2 C21 2.11(3) .
Sn2 C25 2.122(18) .
Sn2 O2 2.165(10) .
Sn8 O9 2.035(10) .
Sn8 C129 2.083(19) .
Sn8 C133 2.124(15) .
Sn8 O13 2.144(10) .
Sn8 O11 2.193(9) .
Sn7 O9 2.043(9) .
Sn7 C125 2.13(2) .
Sn7 C121 2.136(16) .
Sn7 O12 2.142(13) .
Sn7 O10 2.188(12) .
Sn10 O15 2.029(11) .
Sn10 C149 2.04(2) .
Sn10 C145 2.090(17) .
Sn10 O15 2.151(15) 2_665
Sn10 O16 2.223(16) .
Sn9 O15 1.990(15) .
Sn9 C141 2.03(3) .
Sn9 O14 2.160(11) .
Sn9 O16 2.195(12) .
Sn9 C137 2.21(3) .
O7 Sn5 2.131(8) 2_576
O5 C55 1.238(16) .
C117 C118 1.48(2) .
C117 117A 0.9700 .
C117 117B 0.9699 .
C49 C50 1.518(19) .
C49 H49A 0.9699 .
C49 H49B 0.9700 .
O14 C155 1.27(2) .
O8 C56 1.432(16) .
O3 C54 1.423(17) .
O2 C53 1.411(18) .
O11 C154 1.405(17) .
C121 C122 1.40(2) .
C121 121A 0.9704 .
C121 121B 0.9698 .
C114 C115 1.50(2) .
C114 C113 1.53(2) .
C114 114A 0.9699 .
C114 114B 0.9701 .
O4 C55 1.278(17) .
C13 C14 1.47(3) .
C13 H13A 0.9701 .
C13 H13B 0.9700 .
C53 H53A 0.9599 .
C53 H53B 0.9600 .
C53 H53C 0.9599 .
C118 C119 1.53(2) .
C118 118A 0.9700 .
C118 118B 0.9701 .
C37 C38 1.491(9) .
C37 H37A 0.9700 .
C37 H37B 0.9703 .
O16 C156 1.35(2) .
C54 H54A 0.9598 .
C54 H54B 0.9602 .
C54 H54C 0.9599 .
C45 C46 1.517(10) .
C45 H45A 0.9699 .
C45 H45B 0.9701 .
C50 C51 1.46(2) .
C50 H50A 0.9699 .
C50 H50B 0.9700 .
C154 154A 0.9600 .
C154 154B 0.9597 .
C154 154C 0.9601 .
O15 Sn10 2.151(15) 2_665
O10 C153 1.40(2) .
O13 C155 1.262(17) .
C39 C38 1.498(10) .
C39 C40 1.504(10) .
C39 H39A 0.9696 .
C39 H39B 0.9703 .
O12 C155 1.29(2) .
C122 C123 1.51(2) .
C122 122A 0.9700 .
C122 122B 0.9701 .
C33 C34 1.475(17) .
C33 H33A 0.9698 .
C33 H33B 0.9701 .
C21 C22 1.494(10) .
C21 H21A 0.9699 .
C21 H21B 0.9699 .
C29 C30 1.39(3) .
C29 H29A 0.9700 .
C29 H29B 0.9703 .
C25 C26 1.44(3) .
C25 H25A 0.9698 .
C25 H25B 0.9702 .
C26 C27 1.48(3) .
C26 H26A 0.9698 .
C26 H26B 0.9699 .
C17 C18 1.528(18) .
C17 H17A 0.9702 .
C17 H17B 0.9699 .
C119 C120 1.55(3) .
C119 119A 0.9700 .
C119 119B 0.9702 .
C55 O6 1.292(16) .
C115 C116 1.51(3) .
C115 115A 0.9699 .
C115 115B 0.9701 .
C113 113A 0.9700 .
C113 113B 0.9701 .
C145 C146 1.52(3) .
C145 145A 0.9701 .
C145 145B 0.9699 .
C56 H56A 0.9598 .
C56 H56B 0.9601 .
C56 H56C 0.9600 .
C14 C15 1.64(4) .
C14 H14A 0.9700 .
C14 H14B 0.9701 .
C137 C138 1.46(4) .
C137 137A 0.9700 .
C137 137B 0.9699 .
C41 C42 1.43(3) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C120 120A 0.9602 .
C120 120B 0.9598 .
C120 120C 0.9600 .
C30 C31 1.62(3) .
C30 H30A 0.9699 .
C30 H30B 0.9702 .
C18 C19 1.50(2) .
C18 H18A 0.9699 .
C18 H18B 0.9700 .
C123 C124 1.42(3) .
C123 123A 0.9702 .
C123 123B 0.9701 .
C153 153A 0.9601 .
C153 153B 0.9599 .
C153 153C 0.9599 .
C146 C147 1.48(4) .
C146 146A 0.9703 .
C146 146B 0.9698 .
C156 156A 0.9601 .
C156 156B 0.9599 .
C156 156C 0.9602 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C133 C134 1.54(2) .
C133 133A 0.9700 .
C133 133B 0.9701 .
C19 C20 1.54(2) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C134 C135 1.51(2) .
C134 134A 0.9702 .
C134 134B 0.9699 .
C135 C136 1.38(3) .
C135 135A 0.9701 .
C135 135B 0.9699 .
C116 116A 0.9600 .
C116 116B 0.9600 .
C116 116C 0.9601 .
C51 C52 1.53(3) .
C51 H51A 0.9699 .
C51 H51B 0.9700 .
B111 B112 1.66(3) .
B111 B110 1.70(3) .
B111 B107 1.74(3) .
B111 B106 1.77(3) .
B111 B102 1.80(3) .
B111 H111 1.1001 .
C52 H52A 0.9601 .
C52 H52B 0.9600 .
C52 H52C 0.9599 .
C42 C43 1.52(3) .
C42 H42A 0.9699 .
C42 H42B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9601 .
C20 H20C 0.9599 .
C27 C28 1.51(3) .
C27 H27A 0.9699 .
C27 H27B 0.9700 .
B106 B102 1.70(3) .
B106 B110 1.72(3) .
B106 B104 1.73(3) .
B106 B105 1.76(3) .
B106 H106 1.1000 .
C129 C130 1.512(10) .
C129 129A 0.9698 .
C129 129B 0.9702 .
B104 C101 1.70(3) .
B104 B105 1.74(3) .
B104 B103 1.75(3) .
B104 B102 1.80(3) .
B104 H101 1.1000 .
C130 C131 1.502(10) .
C130 130A 0.9698 .
C130 130B 0.9700 .
C46 C47 1.497(10) .
C46 H46A 0.9700 .
C46 H46B 0.9699 .
B102 B103 1.72(3) .
B102 B107 1.80(3) .
B102 H102 1.0999 .
C101 B109 1.61(3) .
C101 B105 1.71(4) .
C101 B108 1.75(3) .
C101 B103 1.78(4) .
C101 H104 1.1000 .
C31 C32 1.45(4) .
C31 H31A 0.9701 .
C31 H31B 0.9699 .
C136 136A 0.9601 .
C136 136B 0.9601 .
C136 136C 0.9600 .
B109 B105 1.69(3) .
B109 B110 1.69(4) .
B109 B108 1.69(4) .
B109 B112 1.74(3) .
B109 H109 1.0999 .
B105 B110 1.72(3) .
B105 H105 1.1000 .
C127 C128 1.45(3) .
C127 C126 1.56(3) .
C127 127A 0.9701 .
C127 127B 0.9700 .
B12 B9 1.65(4) .
B12 B8 1.68(5) .
B12 B10 1.73(4) .
B12 B11 1.74(4) .
B12 B7 1.82(4) .
B12 H12 1.1000 .
B11 B7 1.52(5) .
B11 B2 1.66(4) .
B11 B10 1.71(4) .
B11 B6 1.72(4) .
B11 H11 1.0999 .
B107 B112 1.66(4) .
B107 B108 1.78(4) .
B107 B103 1.80(3) .
B107 H107 1.1001 .
C124 124A 0.9599 .
C124 124B 0.9601 .
C124 124C 0.9601 .
C131 C132 1.515(10) .
C131 131A 0.9697 .
C131 131B 0.9699 .
B110 B112 1.80(4) .
B110 H110 1.1000 .
C28 H28A 0.9598 .
C28 H28B 0.9600 .
C28 H28C 0.9602 .
C126 C125 1.47(3) .
C126 126A 0.9700 .
C126 126B 0.9702 .
C125 125A 0.9701 .
C125 125B 0.9700 .
B103 B108 1.84(4) .
B103 H103 1.1002 .
B7 B2 1.74(4) .
B7 B8 1.75(5) .
B7 B3 1.77(4) .
B7 H7 1.1000 .
C128 128A 0.9599 .
C128 128B 0.9602 .
C128 128C 0.9600 .
B112 B108 1.74(3) .
B112 H112 1.1000 .
C149 C60 1.501(10) .
C149 C60A 1.50(5) .
C149 H14C 0.9700 .
C149 H14D 0.9700 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9599 .
C1 B3 1.63(4) .
C1 B4 1.63(4) .
C1 B5 1.69(4) .
C1 B2 1.73(4) .
C1 B6 1.76(4) .
C1 H1 1.0998 .
C132 132A 0.9599 .
C132 132B 0.9601 .
C132 132C 0.9601 .
B108 H108 1.1000 .
C141 C142 1.499(10) .
C141 H14E 0.9700 .
C141 H14F 0.9700 .
B9 B10 1.54(5) .
B9 B5 1.63(4) .
B9 B4 1.68(4) .
B9 B8 1.87(5) .
B9 H9 1.1000 .
B10 B6 1.68(4) .
B10 B5 1.68(4) .
B10 H10 1.1001 .
C148 C147 1.38(4) .
C148 148A 0.9601 .
C148 148B 0.9599 .
C148 148C 0.9600 .
B2 B6 1.50(4) .
B2 B3 1.74(5) .
B2 H2 1.1000 .
B2 H2 1.1000 .
C47 C48 1.491(10) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
B6 B5 1.55(4) .
B6 H6 1.1000 .
C147 147A 0.9706 .
C147 147B 0.9700 .
B5 B4 1.62(5) .
B5 H5 1.1000 .
C36 C35 1.505(18) .
C36 H36A 0.9602 .
C36 H36B 0.9601 .
C36 H36C 0.9601 .
C139 C138 1.46(4) .
C139 C140 1.515(19) .
C139 H13C 0.9700 .
C139 H13D 0.9700 .
C138 H13E 0.9700 .
C138 H13F 0.9700 .
B3 B8 1.79(4) .
B3 B4 1.96(5) .
B3 H3 1.1000 .
C15 C16 1.35(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C24 C23 1.507(10) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C23 C22 1.508(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
B4 B8 1.97(4) .
B4 H4 1.1000 .
B8 H8 1.1000 .
C61 C60 1.500(10) .
C61 C62 1.501(10) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C61A C62A 1.514(19) .
C61A C60A 1.519(19) .
C61A H61C 0.9700 .
C61A H61D 0.9700 .
C62A H62D 0.9600 .
C62A H62E 0.9600 .
C62A H62F 0.9600 .
C60A H60C 0.9700 .
C60A H60D 0.9700 .
C143 C144 1.501(10) .
C143 C142 1.502(10) .
C143 H14J 0.9700 .
C143 H14K 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C144 H14L 0.9600 .
C144 H14M 0.9600 .
C144 H14N 0.9600 .
C142 H14O 0.9700 .
C142 H14P 0.9700 .
C35 C34 1.425(19) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C43 C44 1.39(4) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C140 H14G 0.9600 .
C140 H14H 0.9600 .
C140 H14I 0.9600 .
