#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:30:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179974 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/68/7026870.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_7026870
loop_
_publ_author_name
'Ellis, Bobby D.'
'Atkins, Tonya M.'
'Peng, Yang'
'Sutton, Andrew D.'
'Gordon, John C.'
'Power, Philip P.'
_publ_section_title
;
 Synthesis and thermolytic behavior of tin(IV) formates: in search of
 recyclable metal-hydride systems.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10659
_journal_page_last               10663
_journal_paper_doi               10.1039/c0dt00812e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C60 H120 O24 Sn6'
_chemical_formula_sum            'C60 H120 O24 Sn6'
_chemical_formula_weight         1937.70
_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                101.3680(10)
_cell_angle_beta                 102.0150(10)
_cell_angle_gamma                100.9650(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0023(10)
_cell_length_b                   15.0429(14)
_cell_length_c                   25.678(2)
_cell_measurement_reflns_used    9810
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.31
_cell_volume                     3955.0(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            42278
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         0.84
_exptl_absorpt_coefficient_mu    1.932
_exptl_absorpt_correction_T_max  0.748
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2007/2
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.302
_refine_diff_density_min         -1.466
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         14315
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0413
_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)+(0.0537P)²+18.1279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                10405
_reflns_number_total             14315
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c0dt00812e.txt
_cod_data_source_block           Bu2Sn(OOCH)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7026870
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
Sn1 Sn 0.62839(4) 0.84623(3) 0.372293(18) 0.01233(11) Uani 0.9307(9) 1 d P . 1
Sn2 Sn 1.16436(4) 0.89652(3) 0.412150(17) 0.01187(11) Uani 0.9307(9) 1 d P . 1
Sn3 Sn 1.03920(4) 0.53735(3) 0.252686(17) 0.01139(11) Uani 0.9307(9) 1 d P . 1
Sn4 Sn 0.83195(4) 0.15301(3) 0.128376(18) 0.01249(11) Uani 0.9307(9) 1 d P . 1
Sn5 Sn 0.30362(4) 0.10363(3) 0.087721(17) 0.01195(11) Uani 0.9307(9) 1 d P . 1
Sn6 Sn 0.51981(4) 0.46283(3) 0.249304(17) 0.01100(11) Uani 0.9307(9) 1 d P . 1
O1 O 0.7657(4) 0.7811(3) 0.33179(19) 0.0245(11) Uani 1 1 d . . 1
O2 O 0.9542(4) 0.8522(3) 0.39256(17) 0.0232(10) Uani 1 1 d . . 1
O3 O 1.1431(4) 0.7525(3) 0.34802(18) 0.0214(10) Uani 1 1 d . . 1
O4 O 1.1815(4) 0.6661(3) 0.27470(18) 0.0222(10) Uani 1 1 d . . 1
O5 O 0.9304(4) 0.3748(3) 0.21485(19) 0.0228(10) Uani 1 1 d . . 1
O6 O 0.8008(4) 0.2337(3) 0.20169(18) 0.0215(10) Uani 1 1 d . . 1
O7 O 0.6203(4) 0.1096(3) 0.10771(18) 0.0230(10) Uani 1 1 d . . 1
O8 O 0.4332(4) 0.0167(3) 0.05411(18) 0.0198(10) Uani 1 1 d . . 1
O9 O 0.4191(4) 0.2480(3) 0.15222(18) 0.0209(10) Uani 1 1 d . . 1
O10 O 0.5738(4) 0.3340(3) 0.22576(18) 0.0217(10) Uani 1 1 d . . 1
O11 O 0.5309(4) 0.6233(3) 0.28775(18) 0.0206(10) Uani 1 1 d . . 1
O12 O 0.4842(4) 0.7635(3) 0.29962(18) 0.0215(10) Uani 1 1 d . . 1
O13 O 0.8919(4) 0.6263(3) 0.25490(18) 0.0218(10) Uani 1 1 d . . 1
O14 O 0.7227(4) 0.5121(3) 0.25092(17) 0.0195(10) Uani 1 1 d . . 1
O15 O 0.4586(4) 0.8883(3) 0.39294(17) 0.0206(10) Uani 1 1 d . . 1
O16 O 0.3717(4) 0.9832(3) 0.44547(17) 0.0207(10) Uani 1 1 d . . 1
O17 O 0.7477(4) 0.9592(3) 0.45565(18) 0.0199(10) Uani 1 1 d . . 1
O18 O 0.8846(4) 0.9896(3) 0.53877(17) 0.0202(10) Uani 1 1 d . . 1
O19 O 1.0423(4) 0.2197(3) 0.16742(19) 0.0261(11) Uani 1 1 d . . 1
O20 O 0.8115(4) 0.0410(3) 0.04484(17) 0.0199(10) Uani 1 1 d . . 1
O21 O 0.1486(4) -0.0101(3) 0.03836(17) 0.0194(10) Uani 1 1 d . . 1
O22 O 0.1347(4) 0.1468(3) 0.10690(18) 0.0237(10) Uani 1 1 d . . 1
O23 O 0.3219(4) 0.3750(3) 0.24491(19) 0.0223(10) Uani 1 1 d . . 1
O24 O 0.2168(4) 0.4894(3) 0.25407(17) 0.0188(10) Uani 1 1 d . . 1
C1 C 0.8855(6) 0.8010(5) 0.3462(3) 0.0237(15) Uani 1 1 d . . 1
H1 H 0.9278 0.7765 0.3211 0.028 Uiso 1 1 calc R . 1
C2 C 1.2027(6) 0.7411(5) 0.3130(3) 0.0213(14) Uani 1 1 d . . 1
H2 H 1.2689 0.7907 0.3142 0.026 Uiso 1 1 calc R . 1
C3 C 0.8531(6) 0.3195(5) 0.2282(3) 0.0226(15) Uani 1 1 d . . 1
H3 H 0.8301 0.3412 0.2604 0.027 Uiso 1 1 calc R . 1
C4 C 0.5531(6) 0.0368(4) 0.0700(3) 0.0206(14) Uani 1 1 d . . 1
H4 H 0.5962 -0.0036 0.0536 0.025 Uiso 1 1 calc R . 1
C5 C 0.5187(6) 0.2591(4) 0.1871(3) 0.0196(14) Uani 1 1 d . . 1
H5 H 0.5581 0.2095 0.1856 0.024 Uiso 1 1 calc R . 1
C6 C 0.4669(6) 0.6775(5) 0.2739(3) 0.0229(15) Uani 1 1 d . . 1
H6 H 0.4003 0.6544 0.2422 0.028 Uiso 1 1 calc R . 1
C7 C 0.7774(6) 0.5977(4) 0.2543(3) 0.0201(14) Uani 1 1 d . . 1
H7 H 0.7278 0.6413 0.2564 0.024 Uiso 1 1 calc R . 1
C8 C 0.1254(6) -0.0560(4) -0.0113(3) 0.0185(14) Uani 1 1 d . . 1
H8 H 0.0537 -0.1060 -0.0237 0.022 Uiso 1 1 calc R . 1
C9 C 0.1379(6) 0.2002(5) 0.1529(3) 0.0231(15) Uani 1 1 d . . 1
H9 H 0.2177 0.2266 0.1776 0.028 Uiso 1 1 calc R . 1
C10 C 0.2229(6) 0.4035(5) 0.2475(3) 0.0199(14) Uani 1 1 d . . 1
H10 H 0.1484 0.3593 0.2443 0.024 Uiso 1 1 calc R . 1
C11 C 0.4651(6) 0.9618(4) 0.4302(3) 0.0196(14) Uani 1 1 d . . 1
H11 H 0.5454 1.0018 0.4469 0.024 Uiso 1 1 calc R . 1
C12 C 0.8359(6) 0.9442(4) 0.4884(3) 0.0184(14) Uani 1 1 d . . 1
H12 H 0.8706 0.8952 0.4754 0.022 Uiso 1 1 calc R . 1
C13 C 0.6252(6) 0.7494(5) 0.4226(3) 0.0220(14) Uani 1 1 d . . 1
H13A H 0.5807 0.6878 0.3996 0.026 Uiso 1 1 calc R . 1
H13B H 0.7126 0.7475 0.4381 0.026 Uiso 1 1 calc R . 1
C14 C 0.5610(6) 0.7712(5) 0.4698(3) 0.0231(15) Uani 1 1 d . . 1
H14A H 0.5868 0.8378 0.4864 0.028 Uiso 1 1 calc R . 1
H14B H 0.4689 0.7544 0.4549 0.028 Uiso 1 1 calc R . 1
C15 C 0.5948(7) 0.7196(5) 0.5141(3) 0.0334(18) Uani 1 1 d . . 1
H15A H 0.6866 0.7379 0.5299 0.040 Uiso 1 1 calc R . 1
H15B H 0.5714 0.6529 0.4974 0.040 Uiso 1 1 calc R . 1
C16 C 0.5265(8) 0.7397(6) 0.5599(3) 0.041(2) Uani 1 1 d . . 1
H16A H 0.5510 0.8054 0.5772 0.062 Uiso 1 1 calc R . 1
H16B H 0.5503 0.7056 0.5867 0.062 Uiso 1 1 calc R . 1
H16C H 0.4355 0.7208 0.5446 0.062 Uiso 1 1 calc R . 1
C17 C 0.6789(6) 0.9546(4) 0.3339(3) 0.0225(15) Uani 1 1 d . . 1
H17A H 0.7705 0.9804 0.3480 0.027 Uiso 1 1 calc R . 1
H17B H 0.6635 0.9262 0.2951 0.027 Uiso 1 1 calc R . 1
C18 C 0.6150(7) 1.0358(5) 0.3390(3) 0.0255(15) Uani 1 1 d . . 1
H18A H 0.6337 1.0680 0.3775 0.031 Uiso 1 1 calc R . 1
H18B H 0.5230 1.0118 0.3256 0.031 Uiso 1 1 calc R . 1
C19 C 0.6597(7) 1.1050(5) 0.3070(3) 0.0252(15) Uani 1 1 d . . 1
H19A H 0.6385 1.0732 0.2684 0.030 Uiso 1 1 calc R . 1
H19B H 0.7521 1.1273 0.3195 0.030 Uiso 1 1 calc R . 1
C20 C 0.5993(8) 1.1887(5) 0.3134(3) 0.039(2) Uani 1 1 d . . 1
H20A H 0.5079 1.1673 0.3002 0.059 Uiso 1 1 calc R . 1
H20B H 0.6307 1.2300 0.2925 0.059 Uiso 1 1 calc R . 1
H20C H 0.6214 1.2213 0.3514 0.059 Uiso 1 1 calc R . 1
C21 C 1.1955(6) 0.8172(5) 0.4713(3) 0.0223(15) Uani 1 1 d . A 1
H21A H 1.2020 0.7562 0.4528 0.027 Uiso 1 1 calc R A 1
H21B H 1.2772 0.8476 0.4976 0.027 Uiso 1 1 calc R A 1
C22 C 1.0952(7) 0.8035(5) 0.5024(3) 0.0255(15) Uani 1 1 d . A 1
H22A H 1.0136 0.7707 0.4767 0.031 Uiso 1 1 calc R A 1
H22B H 1.0866 0.8642 0.5206 0.031 Uiso 1 1 calc R A 1
C23 C 1.1266(7) 0.7483(5) 0.5454(3) 0.0299(17) Uani 1 1 d . A 1
H23A H 1.1281 0.6859 0.5270 0.036 Uiso 1 1 calc R A 1
H23B H 1.2113 0.7783 0.5693 0.036 Uiso 1 1 calc R A 1
C24 C 1.0311(8) 0.7414(6) 0.5798(4) 0.044(2) Uani 1 1 d . A 1
H24A H 1.0325 0.8029 0.5997 0.066 Uiso 1 1 calc R A 1
H24B H 1.0533 0.7046 0.6053 0.066 Uiso 1 1 calc R A 1
H24C H 0.9470 0.7123 0.5563 0.066 Uiso 1 1 calc R A 1
C25 C 1.1644(6) 0.9552(4) 0.3427(3) 0.0182(13) Uani 1 1 d . B 1
H25A H 1.2448 0.9545 0.3329 0.022 Uiso 1 1 calc R B 1
H25B H 1.0964 0.9153 0.3119 0.022 Uiso 1 1 calc R B 1
C26 C 1.1469(7) 1.0541(5) 0.3507(3) 0.0269(16) Uani 1 1 d . B 1
H26A H 1.2055 1.0924 0.3848 0.032 Uiso 1 1 calc R B 1
H26B H 1.0604 1.0537 0.3538 0.032 Uiso 1 1 calc R B 1
C27 C 1.1704(8) 1.0970(5) 0.3039(3) 0.0324(18) Uani 1 1 d . B 1
H27A H 1.1140 1.0571 0.2697 0.039 Uiso 1 1 calc R B 1
H27B H 1.2578 1.0992 0.3017 0.039 Uiso 1 1 calc R B 1
C28 C 1.1484(11) 1.1955(6) 0.3100(4) 0.059(3) Uani 1 1 d . B 1
H28A H 1.0595 1.1929 0.3074 0.089 Uiso 1 1 calc R B 1
H28B H 1.1733 1.2213 0.2814 0.089 Uiso 1 1 calc R B 1
H28C H 1.1989 1.2343 0.3451 0.089 Uiso 1 1 calc R B 1
C29 C 1.0206(6) 0.5208(5) 0.3309(3) 0.0224(15) Uani 1 1 d . . 1
H29A H 1.0310 0.5826 0.3540 0.027 Uiso 1 1 calc R . 1
H29B H 0.9333 0.4866 0.3263 0.027 Uiso 1 1 calc R . 1
C30 C 1.1080(7) 0.4730(5) 0.3622(3) 0.0281(16) Uani 1 1 d . . 1
H30A H 1.1113 0.4164 0.3374 0.034 Uiso 1 1 calc R . 1
H30B H 1.0712 0.4547 0.3908 0.034 Uiso 1 1 calc R . 1
C31 C 1.2434(7) 0.5308(5) 0.3884(3) 0.0369(19) Uani 1 1 d . . 1
H31A H 1.2412 0.5880 0.4129 0.044 Uiso 1 1 calc R . 1
H31B H 1.2823 0.5475 0.3600 0.044 Uiso 1 1 calc R . 1
C32 C 1.3254(9) 0.4784(8) 0.4206(4) 0.057(3) Uani 1 1 d . . 1
H32A H 1.2801 0.4521 0.4443 0.085 Uiso 1 1 calc R . 1
H32B H 1.4044 0.5209 0.4423 0.085 Uiso 1 1 calc R . 1
H32C H 1.3432 0.4292 0.3955 0.085 Uiso 1 1 calc R . 1
C33 C 1.0011(6) 0.5373(5) 0.1679(3) 0.0229(15) Uani 1 1 d . . 1
H33A H 0.9144 0.5008 0.1499 0.027 Uiso 1 1 calc R . 1
H33B H 1.0045 0.6010 0.1648 0.027 Uiso 1 1 calc R . 1
C34 C 1.0916(7) 0.4989(5) 0.1369(3) 0.0262(15) Uani 1 1 d . . 1
H34A H 1.1783 0.5358 0.1542 0.031 Uiso 1 1 calc R . 1
H34B H 1.0889 0.4353 0.1399 0.031 Uiso 1 1 calc R . 1
C35 C 1.0604(7) 0.4994(5) 0.0771(3) 0.0313(17) Uani 1 1 d . . 1
H35A H 1.0618 0.5627 0.0739 0.038 Uiso 1 1 calc R . 1
H35B H 0.9745 0.4613 0.0594 0.038 Uiso 1 1 calc R . 1
C36 C 1.1534(8) 0.4626(7) 0.0478(4) 0.049(2) Uani 1 1 d U . 1
H36A H 1.2382 0.5012 0.0645 0.073 Uiso 1 1 calc R . 1
H36B H 1.1292 0.4637 0.0098 0.073 Uiso 1 1 calc R . 1
H36C H 1.1517 0.3996 0.0505 0.073 Uiso 1 1 calc R . 1
C37 C 0.8655(6) 0.0444(4) 0.1664(3) 0.0198(14) Uani 1 1 d . . 1
H37A H 0.9311 0.0198 0.1525 0.024 Uiso 1 1 calc R . 1
H37B H 0.9018 0.0725 0.2053 0.024 Uiso 1 1 calc R . 1
C38 C 0.7567(6) -0.0380(4) 0.1609(3) 0.0240(15) Uani 1 1 d . . 1
H38A H 0.6875 -0.0152 0.1726 0.029 Uiso 1 1 calc R . 1
H38B H 0.7245 -0.0715 0.1225 0.029 Uiso 1 1 calc R . 1
C39 C 0.7962(7) -0.1047(5) 0.1944(3) 0.0289(16) Uani 1 1 d . . 1
H39A H 0.8267 -0.0713 0.2329 0.035 Uiso 1 1 calc R . 1
H39B H 0.8666 -0.1263 0.1833 0.035 Uiso 1 1 calc R . 1
C40 C 0.6873(8) -0.1896(5) 0.1883(3) 0.042(2) Uani 1 1 d . . 1
H40A H 0.6180 -0.1690 0.2002 0.063 Uiso 1 1 calc R . 1
H40B H 0.7180 -0.2294 0.2103 0.063 Uiso 1 1 calc R . 1
H40C H 0.6576 -0.2238 0.1504 0.063 Uiso 1 1 calc R . 1
C41 C 0.8292(6) 0.2500(4) 0.0788(3) 0.0208(14) Uani 1 1 d . . 1
H41A H 0.8405 0.3115 0.1024 0.025 Uiso 1 1 calc R . 1
H41B H 0.9022 0.2519 0.0631 0.025 Uiso 1 1 calc R . 1
C42 C 0.7079(6) 0.2310(5) 0.0318(3) 0.0266(16) Uani 1 1 d . . 1
H42A H 0.6809 0.1644 0.0149 0.032 Uiso 1 1 calc R . 1
H42B H 0.6400 0.2487 0.0471 0.032 Uiso 1 1 calc R . 1
C43 C 0.7253(8) 0.2826(6) -0.0122(4) 0.045(2) Uani 1 1 d . . 1
H43A H 0.7881 0.2612 -0.0298 0.053 Uiso 1 1 calc R . 1
H43B H 0.7584 0.3488 0.0049 0.053 Uiso 1 1 calc R . 1
C44 C 0.5994(9) 0.2678(7) -0.0562(4) 0.054(2) Uani 1 1 d U . 1
H44A H 0.5657 0.2022 -0.0729 0.081 Uiso 1 1 calc R . 1
H44B H 0.6157 0.2999 -0.0837 0.081 Uiso 1 1 calc R . 1
H44C H 0.5384 0.2919 -0.0393 0.081 Uiso 1 1 calc R . 1
C45 C 0.3394(7) 0.0442(4) 0.1572(3) 0.0223(14) Uani 1 1 d . . 1
H45A H 0.4308 0.0497 0.1692 0.027 Uiso 1 1 calc R . 1
H45B H 0.3144 0.0805 0.1870 0.027 Uiso 1 1 calc R . 1
C46 C 0.2710(7) -0.0561(5) 0.1466(3) 0.0341(18) Uani 1 1 d . . 1
H46A H 0.2850 -0.0910 0.1133 0.041 Uiso 1 1 calc R . 1
H46B H 0.1798 -0.0605 0.1405 0.041 Uiso 1 1 calc R . 1
C47 C 0.3135(7) -0.1012(5) 0.1932(3) 0.0292(16) Uani 1 1 d . . 1
H47A H 0.4044 -0.0979 0.1988 0.035 Uiso 1 1 calc R . 1
H47B H 0.3011 -0.0656 0.2267 0.035 Uiso 1 1 calc R . 1
C48 C 0.2433(10) -0.2016(6) 0.1834(4) 0.063(3) Uani 1 1 d . . 1
H48A H 0.1535 -0.2055 0.1792 0.095 Uiso 1 1 calc R . 1
H48B H 0.2755 -0.2256 0.2141 0.095 Uiso 1 1 calc R . 1
H48C H 0.2560 -0.2379 0.1507 0.095 Uiso 1 1 calc R . 1
C49 C 0.3180(6) 0.1829(5) 0.0289(3) 0.0235(15) Uani 1 1 d . . 1
H49A H 0.3717 0.2447 0.0477 0.028 Uiso 1 1 calc R . 1
H49B H 0.3611 0.1538 0.0034 0.028 Uiso 1 1 calc R . 1
C50 C 0.1927(6) 0.1938(5) -0.0037(3) 0.0247(15) Uani 1 1 d . . 1
H50A H 0.1495 0.2234 0.0215 0.030 Uiso 1 1 calc R . 1
H50B H 0.1386 0.1323 -0.0227 0.030 Uiso 1 1 calc R . 1
C51 C 0.2079(7) 0.2509(5) -0.0455(3) 0.0288(16) Uani 1 1 d . . 1
H51A H 0.2569 0.3139 -0.0265 0.035 Uiso 1 1 calc R . 1
H51B H 0.2555 0.2237 -0.0696 0.035 Uiso 1 1 calc R . 1
C52 C 0.0804(8) 0.2551(6) -0.0797(4) 0.047(2) Uani 1 1 d U . 1
H52A H 0.0323 0.1931 -0.0994 0.070 Uiso 1 1 calc R . 1
H52B H 0.0945 0.2921 -0.1054 0.070 Uiso 1 1 calc R . 1
H52C H 0.0334 0.2829 -0.0561 0.070 Uiso 1 1 calc R . 1
C53 C 0.5583(6) 0.4591(5) 0.3332(3) 0.0243(15) Uani 1 1 d . . 1
H53A H 0.5079 0.4958 0.3509 0.029 Uiso 1 1 calc R . 1
H53B H 0.5290 0.3951 0.3350 0.029 Uiso 1 1 calc R . 1
C54 C 0.6972(6) 0.4948(5) 0.3658(3) 0.0229(15) Uani 1 1 d . . 1
H54A H 0.7480 0.4571 0.3491 0.028 Uiso 1 1 calc R . 1
H54B H 0.7278 0.5585 0.3637 0.028 Uiso 1 1 calc R . 1
C55 C 0.7180(7) 0.4925(5) 0.4252(3) 0.0301(17) Uani 1 1 d . . 1
H55A H 0.6709 0.5328 0.4425 0.036 Uiso 1 1 calc R . 1
H55B H 0.6837 0.4294 0.4274 0.036 Uiso 1 1 calc R . 1
C56 C 0.8564(7) 0.5234(6) 0.4565(3) 0.040(2) Uani 1 1 d . . 1
H56A H 0.9035 0.4833 0.4400 0.060 Uiso 1 1 calc R . 1
H56B H 0.8638 0.5202 0.4939 0.060 Uiso 1 1 calc R . 1
H56C H 0.8905 0.5866 0.4554 0.060 Uiso 1 1 calc R . 1
C57 C 0.4406(7) 0.4801(5) 0.1702(3) 0.0319(18) Uani 1 1 d . . 1
H57A H 0.4003 0.4180 0.1468 0.038 Uiso 1 1 calc R . 1
H57B H 0.3724 0.5115 0.1737 0.038 Uiso 1 1 calc R . 1
C58 C 0.5155(10) 0.5276(6) 0.1411(4) 0.066(3) Uani 1 1 d D . 1
H58A H 0.5740 0.5831 0.1664 0.079 Uiso 1 1 calc R . 1
H58B H 0.4595 0.5479 0.1138 0.079 Uiso 1 1 calc R . 1
C59 C 0.5904(9) 0.4710(7) 0.1133(4) 0.066(3) Uani 1 1 d D . 1
H59A H 0.5331 0.4113 0.0929 0.079 Uiso 1 1 calc R . 1
H59B H 0.6545 0.4589 0.1414 0.079 Uiso 1 1 calc R . 1
C60 C 0.6597(10) 0.5122(8) 0.0732(5) 0.072(2) Uani 1 1 d DU . 1
H60A H 0.5988 0.5041 0.0389 0.108 Uiso 1 1 calc R . 1
H60B H 0.7251 0.4802 0.0671 0.108 Uiso 1 1 calc R . 1
H60C H 0.6979 0.5775 0.0889 0.108 Uiso 1 1 calc R . 1
Sn1B Sn 0.6636(5) 0.8962(4) 0.4125(2) 0.0114(14) Uiso 0.0693(9) 1 d P . 2
Sn2B Sn 1.1251(5) 0.8485(4) 0.3714(2) 0.0106(14) Uiso 0.0693(9) 1 d P . 2
Sn3B Sn 1.0165(5) 0.4629(4) 0.2463(2) 0.0080(14) Uiso 0.0693(9) 1 d P . 2
Sn4B Sn 0.8037(5) 0.1041(4) 0.0882(2) 0.0098(14) Uiso 0.0693(9) 1 d P . 2
Sn5B Sn 0.3340(5) 0.1541(4) 0.1277(2) 0.0123(15) Uiso 0.0693(9) 1 d P . 2
Sn6B Sn 0.5404(5) 0.5371(4) 0.2496(2) 0.0082(14) Uiso 0.0693(9) 1 d P . 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C17 Sn1 C13 165.8(3) . .
C17 Sn1 O12 92.5(2) . .
C13 Sn1 O12 100.0(2) . .
C17 Sn1 O15 96.2(2) . .
C13 Sn1 O15 92.3(2) . .
O12 Sn1 O15 80.98(16) . .
C17 Sn1 O1 84.3(2) . .
C13 Sn1 O1 90.3(2) . .
O12 Sn1 O1 84.68(16) . .
O15 Sn1 O1 165.67(16) . .
C17 Sn1 O17 84.7(2) . .
C13 Sn1 O17 84.8(2) . .
O12 Sn1 O17 165.50(15) . .
O15 Sn1 O17 85.17(15) . .
O1 Sn1 O17 109.11(15) . .
C21 Sn2 C25 164.5(2) . .
C21 Sn2 O18 98.6(2) . 2_776
C25 Sn2 O18 95.8(2) . 2_776
C21 Sn2 O2 94.8(2) . .
C25 Sn2 O2 93.8(2) . .
O18 Sn2 O2 77.25(16) 2_776 .
C21 Sn2 O16 90.2(2) . 1_655
C25 Sn2 O16 85.3(2) . 1_655
O18 Sn2 O16 85.82(15) 2_776 1_655
O2 Sn2 O16 162.87(16) . 1_655
C21 Sn2 O3 83.8(2) . .
C25 Sn2 O3 84.3(2) . .
O18 Sn2 O3 160.85(16) 2_776 .
O2 Sn2 O3 83.63(15) . .
O16 Sn2 O3 113.23(15) 1_655 .
C29 Sn3 C33 163.7(3) . .
C29 Sn3 O4 101.3(2) . .
C33 Sn3 O4 91.8(2) . .
C29 Sn3 O24 97.6(2) . 1_655
C33 Sn3 O24 94.6(2) . 1_655
O4 Sn3 O24 77.72(16) . 1_655
C29 Sn3 O13 87.1(2) . .
C33 Sn3 O13 84.0(2) . .
O4 Sn3 O13 86.66(16) . .
O24 Sn3 O13 164.27(16) 1_655 .
C29 Sn3 O5 88.6(2) . .
C33 Sn3 O5 81.7(2) . .
O4 Sn3 O5 161.46(16) . .
O24 Sn3 O5 85.50(15) 1_655 .
O13 Sn3 O5 109.70(15) . .
C37 Sn4 C41 165.7(3) . .
C37 Sn4 O6 92.1(2) . .
C41 Sn4 O6 100.4(2) . .
C37 Sn4 O7 96.4(2) . .
C41 Sn4 O7 92.4(2) . .
O6 Sn4 O7 81.03(16) . .
C37 Sn4 O19 84.9(2) . .
C41 Sn4 O19 89.2(2) . .
O6 Sn4 O19 85.35(16) . .
O7 Sn4 O19 166.35(16) . .
C37 Sn4 O20 84.7(2) . .
C41 Sn4 O20 84.9(2) . .
O6 Sn4 O20 165.12(15) . .
O7 Sn4 O20 84.89(15) . .
O19 Sn4 O20 108.75(15) . .
C49 Sn5 O21 98.4(2) . .
C49 Sn5 C45 165.0(3) . .
O21 Sn5 C45 95.6(2) . .
C49 Sn5 O22 94.7(2) . .
O21 Sn5 O22 77.04(16) . .
C45 Sn5 O22 93.6(2) . .
C49 Sn5 O8 90.3(2) . .
O21 Sn5 O8 85.44(15) . .
C45 Sn5 O8 85.5(2) . .
O22 Sn5 O8 162.30(16) . .
C49 Sn5 O9 83.9(2) . .
O21 Sn5 O9 160.89(15) . .
C45 Sn5 O9 84.6(2) . .
O22 Sn5 O9 83.86(16) . .
O8 Sn5 O9 113.58(15) . .
C53 Sn6 C57 165.1(3) . .
C53 Sn6 O10 92.2(2) . .
C57 Sn6 O10 99.4(2) . .
C53 Sn6 O14 94.4(2) . .
C57 Sn6 O14 97.1(2) . .
O10 Sn6 O14 78.00(16) . .
C53 Sn6 O23 83.6(2) . .
C57 Sn6 O23 87.6(2) . .
O10 Sn6 O23 87.41(16) . .
O14 Sn6 O23 165.21(16) . .
C53 Sn6 O11 82.1(2) . .
C57 Sn6 O11 89.4(2) . .
O10 Sn6 O11 161.88(16) . .
O14 Sn6 O11 85.25(15) . .
O23 Sn6 O11 108.91(15) . .
C1 O1 Sn1 128.7(4) . .
C1 O2 Sn2 123.3(4) . .
C2 O3 Sn2 125.7(4) . .
C2 O4 Sn3 131.7(4) . .
C3 O5 Sn3 134.1(4) . .
C3 O6 Sn4 129.8(4) . .
C4 O7 Sn4 123.7(4) . .
C4 O8 Sn5 125.0(4) . .
C5 O9 Sn5 125.3(4) . .
C5 O10 Sn6 132.2(4) . .
C6 O11 Sn6 132.8(4) . .
C6 O12 Sn1 129.7(4) . .
C7 O13 Sn3 125.8(4) . .
C7 O14 Sn6 124.3(4) . .
C11 O15 Sn1 123.7(4) . .
C11 O16 Sn2 124.8(4) . 1_455
C12 O17 Sn1 122.5(4) . .
C12 O18 Sn2 130.9(4) . 2_776
C9 O19 Sn4 129.1(4) 1_655 .
C8 O20 Sn4 123.1(4) 2_655 .
C8 O21 Sn5 131.5(4) . .
C9 O22 Sn5 123.2(4) . .
C10 O23 Sn6 127.1(4) . .
C10 O24 Sn3 124.4(4) . 1_455
O1 C1 O2 125.2(6) . .
O1 C1 H1 117.4 . .
O2 C1 H1 117.4 . .
O3 C2 O4 125.6(6) . .
O3 C2 H2 117.2 . .
O4 C2 H2 117.2 . .
O5 C3 O6 125.8(6) . .
O5 C3 H3 117.1 . .
O6 C3 H3 117.1 . .
O8 C4 O7 124.3(6) . .
O8 C4 H4 117.9 . .
O7 C4 H4 117.9 . .
O9 C5 O10 125.4(6) . .
O9 C5 H5 117.3 . .
O10 C5 H5 117.3 . .
O11 C6 O12 125.7(6) . .
O11 C6 H6 117.2 . .
O12 C6 H6 117.2 . .
O13 C7 O14 124.8(6) . .
O13 C7 H7 117.6 . .
O14 C7 H7 117.6 . .
O20 C8 O21 126.8(6) 2_655 .
O20 C8 H8 116.6 2_655 .
O21 C8 H8 116.6 . .
O19 C9 O22 125.2(6) 1_455 .
O19 C9 H9 117.4 1_455 .
O22 C9 H9 117.4 . .
O23 C10 O24 124.8(6) . .
O23 C10 H10 117.6 . .
O24 C10 H10 117.6 . .
O16 C11 O15 124.9(6) . .
O16 C11 H11 117.6 . .
O15 C11 H11 117.6 . .
O17 C12 O18 126.5(6) . .
O17 C12 H12 116.8 . .
O18 C12 H12 116.8 . .
C14 C13 Sn1 115.1(4) . .
C14 C13 H13A 108.5 . .
Sn1 C13 H13A 108.5 . .
C14 C13 H13B 108.5 . .
Sn1 C13 H13B 108.5 . .
H13A C13 H13B 107.5 . .
C15 C14 C13 113.2(5) . .
C15 C14 H14A 108.9 . .
C13 C14 H14A 108.9 . .
C15 C14 H14B 108.9 . .
C13 C14 H14B 108.9 . .
H14A C14 H14B 107.8 . .
C14 C15 C16 112.4(6) . .
C14 C15 H15A 109.1 . .
C16 C15 H15A 109.1 . .
C14 C15 H15B 109.1 . .
C16 C15 H15B 109.1 . .
H15A C15 H15B 107.9 . .
C18 C17 Sn1 119.9(4) . .
C18 C17 H17A 107.3 . .
Sn1 C17 H17A 107.3 . .
C18 C17 H17B 107.3 . .
Sn1 C17 H17B 107.3 . .
H17A C17 H17B 106.9 . .
C17 C18 C19 112.5(5) . .
C17 C18 H18A 109.1 . .
C19 C18 H18A 109.1 . .
C17 C18 H18B 109.1 . .
C19 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C18 C19 C20 112.9(6) . .
C18 C19 H19A 109.0 . .
C20 C19 H19A 109.0 . .
C18 C19 H19B 109.0 . .
C20 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
C22 C21 Sn2 115.8(4) . .
C22 C21 H21A 108.3 . .
Sn2 C21 H21A 108.3 . .
C22 C21 H21B 108.3 . .
Sn2 C21 H21B 108.3 . .
H21A C21 H21B 107.4 . .
C21 C22 C23 112.6(6) . .
C21 C22 H22A 109.1 . .
C23 C22 H22A 109.1 . .
C21 C22 H22B 109.1 . .
C23 C22 H22B 109.1 . .
H22A C22 H22B 107.8 . .
C24 C23 C22 112.5(6) . .
C24 C23 H23A 109.1 . .
C22 C23 H23A 109.1 . .
C24 C23 H23B 109.1 . .
C22 C23 H23B 109.1 . .
H23A C23 H23B 107.8 . .
C26 C25 Sn2 115.4(4) . .
C26 C25 H25A 108.4 . .
Sn2 C25 H25A 108.4 . .
C26 C25 H25B 108.4 . .
Sn2 C25 H25B 108.4 . .
H25A C25 H25B 107.5 . .
C25 C26 C27 112.5(5) . .
C25 C26 H26A 109.1 . .
C27 C26 H26A 109.1 . .
C25 C26 H26B 109.1 . .
C27 C26 H26B 109.1 . .
H26A C26 H26B 107.8 . .
C26 C27 C28 113.5(6) . .
C26 C27 H27A 108.9 . .
C28 C27 H27A 108.9 . .
C26 C27 H27B 108.9 . .
C28 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
C30 C29 Sn3 119.5(4) . .
C30 C29 H29A 107.4 . .
Sn3 C29 H29A 107.4 . .
C30 C29 H29B 107.4 . .
Sn3 C29 H29B 107.4 . .
H29A C29 H29B 107.0 . .
C29 C30 C31 115.2(6) . .
C29 C30 H30A 108.5 . .
C31 C30 H30A 108.5 . .
C29 C30 H30B 108.5 . .
C31 C30 H30B 108.5 . .
H30A C30 H30B 107.5 . .
C30 C31 C32 112.1(7) . .
C30 C31 H31A 109.2 . .
C32 C31 H31A 109.2 . .
C30 C31 H31B 109.2 . .
C32 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
C34 C33 Sn3 115.6(4) . .
C34 C33 H33A 108.4 . .
Sn3 C33 H33A 108.4 . .
C34 C33 H33B 108.4 . .
Sn3 C33 H33B 108.4 . .
H33A C33 H33B 107.4 . .
C35 C34 C33 113.7(6) . .
C35 C34 H34A 108.8 . .
C33 C34 H34A 108.8 . .
C35 C34 H34B 108.8 . .
C33 C34 H34B 108.8 . .
H34A C34 H34B 107.7 . .
C34 C35 C36 112.5(6) . .
C34 C35 H35A 109.1 . .
C36 C35 H35A 109.1 . .
C34 C35 H35B 109.1 . .
C36 C35 H35B 109.1 . .
H35A C35 H35B 107.8 . .
C38 C37 Sn4 120.2(4) . .
C38 C37 H37A 107.3 . .
Sn4 C37 H37A 107.3 . .
C38 C37 H37B 107.3 . .
Sn4 C37 H37B 107.3 . .
H37A C37 H37B 106.9 . .
C39 C38 C37 112.8(6) . .
C39 C38 H38A 109.0 . .
C37 C38 H38A 109.0 . .
C39 C38 H38B 109.0 . .
C37 C38 H38B 109.0 . .
H38A C38 H38B 107.8 . .
C38 C39 C40 113.3(6) . .
C38 C39 H39A 108.9 . .
C40 C39 H39A 108.9 . .
C38 C39 H39B 108.9 . .
C40 C39 H39B 108.9 . .
H39A C39 H39B 107.7 . .
C42 C41 Sn4 116.3(4) . .
C42 C41 H41A 108.2 . .
Sn4 C41 H41A 108.2 . .
C42 C41 H41B 108.2 . .
Sn4 C41 H41B 108.2 . .
H41A C41 H41B 107.4 . .
C43 C42 C41 114.0(6) . .
C43 C42 H42A 108.7 . .
C41 C42 H42A 108.7 . .
C43 C42 H42B 108.7 . .
C41 C42 H42B 108.7 . .
H42A C42 H42B 107.6 . .
C42 C43 C44 112.5(7) . .
C42 C43 H43A 109.1 . .
C44 C43 H43A 109.1 . .
C42 C43 H43B 109.1 . .
C44 C43 H43B 109.1 . .
H43A C43 H43B 107.8 . .
C46 C45 Sn5 114.7(5) . .
C46 C45 H45A 108.6 . .
Sn5 C45 H45A 108.6 . .
C46 C45 H45B 108.6 . .
Sn5 C45 H45B 108.6 . .
H45A C45 H45B 107.6 . .
C45 C46 C47 113.8(6) . .
C45 C46 H46A 108.8 . .
C47 C46 H46A 108.8 . .
C45 C46 H46B 108.8 . .
C47 C46 H46B 108.8 . .
H46A C46 H46B 107.7 . .
C48 C47 C46 114.1(6) . .
C48 C47 H47A 108.7 . .
C46 C47 H47A 108.7 . .
C48 C47 H47B 108.7 . .
C46 C47 H47B 108.7 . .
H47A C47 H47B 107.6 . .
C50 C49 Sn5 115.8(4) . .
C50 C49 H49A 108.3 . .
Sn5 C49 H49A 108.3 . .
C50 C49 H49B 108.3 . .
Sn5 C49 H49B 108.3 . .
H49A C49 H49B 107.4 . .
C49 C50 C51 113.9(6) . .
C49 C50 H50A 108.8 . .
C51 C50 H50A 108.8 . .
C49 C50 H50B 108.8 . .
C51 C50 H50B 108.8 . .
H50A C50 H50B 107.7 . .
C52 C51 C50 112.3(6) . .
C52 C51 H51A 109.1 . .
C50 C51 H51A 109.1 . .
C52 C51 H51B 109.1 . .
C50 C51 H51B 109.1 . .
H51A C51 H51B 107.9 . .
C54 C53 Sn6 116.2(4) . .
C54 C53 H53A 108.2 . .
Sn6 C53 H53A 108.2 . .
C54 C53 H53B 108.2 . .
Sn6 C53 H53B 108.2 . .
H53A C53 H53B 107.4 . .
C55 C54 C53 113.7(6) . .
C55 C54 H54A 108.8 . .
C53 C54 H54A 108.8 . .
C55 C54 H54B 108.8 . .
C53 C54 H54B 108.8 . .
H54A C54 H54B 107.7 . .
C56 C55 C54 113.2(6) . .
C56 C55 H55A 108.9 . .
C54 C55 H55A 108.9 . .
C56 C55 H55B 108.9 . .
C54 C55 H55B 108.9 . .
H55A C55 H55B 107.7 . .
C58 C57 Sn6 122.3(6) . .
C58 C57 H57A 106.7 . .
Sn6 C57 H57A 106.7 . .
C58 C57 H57B 106.7 . .
Sn6 C57 H57B 106.7 . .
H57A C57 H57B 106.6 . .
C57 C58 C59 114.1(8) . .
C57 C58 H58A 108.7 . .
C59 C58 H58A 108.7 . .
C57 C58 H58B 108.7 . .
C59 C58 H58B 108.7 . .
H58A C58 H58B 107.6 . .
C58 C59 C60 117.6(8) . .
C58 C59 H59A 107.9 . .
C60 C59 H59A 107.9 . .
C58 C59 H59B 107.9 . .
C60 C59 H59B 107.9 . .
H59A C59 H59B 107.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C17 2.110(7) .
Sn1 C13 2.129(7) .
Sn1 O12 2.156(4) .
Sn1 O15 2.214(4) .
Sn1 O1 2.266(4) .
Sn1 O17 2.396(4) .
Sn2 C21 2.123(6) .
Sn2 C25 2.141(6) .
Sn2 O18 2.143(4) 2_776
Sn2 O2 2.201(4) .
Sn2 O16 2.292(4) 1_655
Sn2 O3 2.387(4) .
Sn3 C29 2.119(7) .
Sn3 C33 2.131(7) .
Sn3 O4 2.137(4) .
Sn3 O24 2.204(4) 1_655
Sn3 O13 2.292(4) .
Sn3 O5 2.413(4) .
Sn4 C37 2.114(6) .
Sn4 C41 2.117(6) .
Sn4 O6 2.159(4) .
Sn4 O7 2.213(4) .
Sn4 O19 2.263(4) .
Sn4 O20 2.392(4) .
Sn5 C49 2.113(7) .
Sn5 O21 2.139(4) .
Sn5 C45 2.146(7) .
Sn5 O22 2.199(4) .
Sn5 O8 2.295(4) .
Sn5 O9 2.394(4) .
Sn6 C53 2.121(7) .
Sn6 C57 2.123(7) .
Sn6 O10 2.144(4) .
Sn6 O14 2.203(4) .
Sn6 O23 2.290(4) .
Sn6 O11 2.391(4) .
O1 C1 1.252(7) .
O2 C1 1.274(8) .
O3 C2 1.222(7) .
O4 C2 1.290(8) .
O5 C3 1.224(8) .
O6 C3 1.292(8) .
O7 C4 1.289(7) .
O8 C4 1.254(7) .
O9 C5 1.221(7) .
O10 C5 1.294(7) .
O11 C6 1.231(8) .
O12 C6 1.290(8) .
O13 C7 1.247(7) .
O14 C7 1.292(7) .
O15 C11 1.292(7) .
O16 C11 1.248(7) .
O16 Sn2 2.292(4) 1_455
O17 C12 1.232(7) .
O18 C12 1.284(7) .
O18 Sn2 2.143(4) 2_776
O19 C9 1.252(8) 1_655
O20 C8 1.242(7) 2_655
O21 C8 1.272(7) .
O22 C9 1.281(8) .
O23 C10 1.253(7) .
O24 C10 1.285(7) .
O24 Sn3 2.204(4) 1_455
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O20 1.242(7) 2_655
C8 H8 0.9300 .
C9 O19 1.252(7) 1_455
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.536(9) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.521(10) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.535(10) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.518(9) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.520(9) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.528(10) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.497(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.530(9) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.508(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.515(9) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.518(9) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.530(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.503(10) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.512(10) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.529(11) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.526(9) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.502(10) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.514(10) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.512(9) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.512(9) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.534(10) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.539(9) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.514(11) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.542(11) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C46 1.496(9) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.523(9) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.505(11) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 C50 1.513(9) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 C51 1.517(9) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.512(10) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 C54 1.518(9) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 C55 1.502(9) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.501(10) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 C58 1.412(12) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C59 1.478(8) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.556(8) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C17 Sn1 O1 C1 78.3(6) . .
C13 Sn1 O1 C1 -88.6(6) . .
O12 Sn1 O1 C1 171.4(6) . .
O15 Sn1 O1 C1 171.1(6) . .
O17 Sn1 O1 C1 -4.1(6) . .
C21 Sn2 O2 C1 -112.7(5) . .
C25 Sn2 O2 C1 54.4(5) . .
O18 Sn2 O2 C1 149.5(5) 2_776 .
O16 Sn2 O2 C1 140.7(6) 1_655 .
O3 Sn2 O2 C1 -29.5(5) . .
C21 Sn2 O3 C2 -126.3(5) . .
C25 Sn2 O3 C2 43.7(5) . .
O18 Sn2 O3 C2 135.1(6) 2_776 .
O2 Sn2 O3 C2 138.1(5) . .
O16 Sn2 O3 C2 -38.8(6) 1_655 .
C29 Sn3 O4 C2 -36.5(6) . .
C33 Sn3 O4 C2 133.8(6) . .
O24 Sn3 O4 C2 -131.9(6) 1_655 .
O13 Sn3 O4 C2 49.9(6) . .
O5 Sn3 O4 C2 -157.5(5) . .
C29 Sn3 O5 C3 26.3(6) . .
C33 Sn3 O5 C3 -140.7(6) . .
O4 Sn3 O5 C3 149.1(6) . .
O24 Sn3 O5 C3 124.0(6) 1_655 .
O13 Sn3 O5 C3 -60.1(6) . .
C37 Sn4 O6 C3 127.5(6) . .
C41 Sn4 O6 C3 -45.5(6) . .
O7 Sn4 O6 C3 -136.3(6) . .
O19 Sn4 O6 C3 42.8(5) . .
O20 Sn4 O6 C3 -155.4(6) . .
C37 Sn4 O7 C4 -71.5(5) . .
C41 Sn4 O7 C4 97.2(5) . .
O6 Sn4 O7 C4 -162.6(5) . .
O19 Sn4 O7 C4 -166.2(7) . .
O20 Sn4 O7 C4 12.5(5) . .
C49 Sn5 O8 C4 88.8(5) . .
O21 Sn5 O8 C4 -172.8(5) . .
C45 Sn5 O8 C4 -76.8(5) . .
O22 Sn5 O8 C4 -164.5(5) . .
O9 Sn5 O8 C4 5.3(5) . .
C49 Sn5 O9 C5 -126.2(5) . .
O21 Sn5 O9 C5 135.6(6) . .
C45 Sn5 O9 C5 44.1(5) . .
O22 Sn5 O9 C5 138.3(5) . .
O8 Sn5 O9 C5 -38.6(5) . .
C53 Sn6 O10 C5 131.7(6) . .
C57 Sn6 O10 C5 -38.9(6) . .
O14 Sn6 O10 C5 -134.3(6) . .
O23 Sn6 O10 C5 48.1(6) . .
O11 Sn6 O10 C5 -157.1(5) . .
C53 Sn6 O11 C6 -138.9(6) . .
C57 Sn6 O11 C6 28.8(6) . .
O10 Sn6 O11 C6 148.4(6) . .
O14 Sn6 O11 C6 126.0(6) . .
O23 Sn6 O11 C6 -58.4(6) . .
C17 Sn1 O12 C6 128.3(6) . .
C13 Sn1 O12 C6 -45.1(6) . .
O15 Sn1 O12 C6 -135.8(6) . .
O1 Sn1 O12 C6 44.3(5) . .
O17 Sn1 O12 C6 -153.3(6) . .
C29 Sn3 O13 C7 -65.8(5) . .
C33 Sn3 O13 C7 100.5(5) . .
O4 Sn3 O13 C7 -167.3(5) . .
O24 Sn3 O13 C7 -173.8(5) 1_655 .
O5 Sn3 O13 C7 21.6(5) . .
C53 Sn6 O14 C7 -101.0(5) . .
C57 Sn6 O14 C7 69.4(5) . .
O10 Sn6 O14 C7 167.6(5) . .
O23 Sn6 O14 C7 177.1(6) . .
O11 Sn6 O14 C7 -19.3(5) . .
C17 Sn1 O15 C11 -70.9(5) . .
C13 Sn1 O15 C11 97.7(5) . .
O12 Sn1 O15 C11 -162.5(5) . .
O1 Sn1 O15 C11 -162.2(6) . .
O17 Sn1 O15 C11 13.2(5) . .
C17 Sn1 O17 C12 -125.8(5) . .
C13 Sn1 O17 C12 44.8(5) . .
O12 Sn1 O17 C12 154.8(6) . .
O15 Sn1 O17 C12 137.5(5) . .
O1 Sn1 O17 C12 -43.7(5) . .
C37 Sn4 O19 C9 77.2(6) . 1_655
C41 Sn4 O19 C9 -89.8(6) . 1_655
O6 Sn4 O19 C9 169.7(6) . 1_655
O7 Sn4 O19 C9 173.2(7) . 1_655
O20 Sn4 O19 C9 -5.4(6) . 1_655
C37 Sn4 O20 C8 -125.8(5) . 2_655
C41 Sn4 O20 C8 44.4(5) . 2_655
O6 Sn4 O20 C8 156.2(6) . 2_655
O7 Sn4 O20 C8 137.2(5) . 2_655
O19 Sn4 O20 C8 -43.1(5) . 2_655
C49 Sn5 O21 C8 43.0(6) . .
C45 Sn5 O21 C8 -131.7(5) . .
O22 Sn5 O21 C8 136.0(6) . .
O8 Sn5 O21 C8 -46.6(5) . .
O9 Sn5 O21 C8 138.7(6) . .
C49 Sn5 O22 C9 -110.7(5) . .
O21 Sn5 O22 C9 151.7(5) . .
C45 Sn5 O22 C9 56.8(5) . .
O8 Sn5 O22 C9 143.2(6) . .
O9 Sn5 O22 C9 -27.4(5) . .
C53 Sn6 O23 C10 97.3(5) . .
C57 Sn6 O23 C10 -70.6(5) . .
O10 Sn6 O23 C10 -170.2(5) . .
O14 Sn6 O23 C10 -179(25) . .
O11 Sn6 O23 C10 17.9(5) . .
Sn1 O1 C1 O2 12.8(10) . .
Sn2 O2 C1 O1 -173.3(5) . .
Sn2 O3 C2 O4 -172.0(5) . .
Sn3 O4 C2 O3 2.8(10) . .
Sn3 O5 C3 O6 177.9(4) . .
Sn4 O6 C3 O5 3.2(10) . .
Sn5 O8 C4 O7 -0.1(9) . .
Sn4 O7 C4 O8 -172.4(5) . .
Sn5 O9 C5 O10 -171.9(4) . .
Sn6 O10 C5 O9 3.3(10) . .
Sn6 O11 C6 O12 179.4(4) . .
Sn1 O12 C6 O11 2.2(10) . .
Sn3 O13 C7 O14 -1.8(9) . .
Sn6 O14 C7 O13 -179.5(5) . .
Sn5 O21 C8 O20 -4.0(10) . 2_655
Sn5 O22 C9 O19 -173.2(5) . 1_455
Sn6 O23 C10 O24 -1.3(9) . .
Sn3 O24 C10 O23 175.5(5) 1_455 .
Sn2 O16 C11 O15 0.9(9) 1_455 .
Sn1 O15 C11 O16 -174.3(5) . .
Sn1 O17 C12 O18 -162.6(5) . .
Sn2 O18 C12 O17 2.0(10) 2_776 .
C17 Sn1 C13 C14 101.9(10) . .
O12 Sn1 C13 C14 -106.3(5) . .
O15 Sn1 C13 C14 -25.0(5) . .
O1 Sn1 C13 C14 169.1(5) . .
O17 Sn1 C13 C14 59.9(5) . .
Sn1 C13 C14 C15 -162.8(5) . .
C13 C14 C15 C16 -178.2(6) . .
C13 Sn1 C17 C18 -115.2(10) . .
O12 Sn1 C17 C18 92.5(5) . .
O15 Sn1 C17 C18 11.3(5) . .
O1 Sn1 C17 C18 176.9(5) . .
O17 Sn1 C17 C18 -73.3(5) . .
Sn1 C17 C18 C19 -177.8(5) . .
C17 C18 C19 C20 -178.1(6) . .
C25 Sn2 C21 C22 -154.6(8) . .
O18 Sn2 C21 C22 46.7(5) 2_776 .
O2 Sn2 C21 C22 -31.1(5) . .
O16 Sn2 C21 C22 132.5(5) 1_655 .
O3 Sn2 C21 C22 -114.1(5) . .
Sn2 C21 C22 C23 -178.3(5) . .
C21 C22 C23 C24 175.3(6) . .
C21 Sn2 C25 C26 -152.6(8) . .
O18 Sn2 C25 C26 6.2(5) 2_776 .
O2 Sn2 C25 C26 83.7(5) . .
O16 Sn2 C25 C26 -79.1(5) 1_655 .
O3 Sn2 C25 C26 166.9(5) . .
Sn2 C25 C26 C27 170.2(5) . .
C25 C26 C27 C28 177.9(7) . .
C33 Sn3 C29 C30 129.7(8) . .
O4 Sn3 C29 C30 -87.2(5) . .
O24 Sn3 C29 C30 -8.3(5) 1_655 .
O13 Sn3 C29 C30 -173.2(5) . .
O5 Sn3 C29 C30 77.0(5) . .
Sn3 C29 C30 C31 75.2(7) . .
C29 C30 C31 C32 178.6(6) . .
C29 Sn3 C33 C34 -132.9(8) . .
O4 Sn3 C33 C34 83.2(5) . .
O24 Sn3 C33 C34 5.3(5) 1_655 .
O13 Sn3 C33 C34 169.6(5) . .
O5 Sn3 C33 C34 -79.4(5) . .
Sn3 C33 C34 C35 179.4(5) . .
C33 C34 C35 C36 178.9(7) . .
C41 Sn4 C37 C38 -115.7(10) . .
O6 Sn4 C37 C38 93.0(5) . .
O7 Sn4 C37 C38 11.8(5) . .
O19 Sn4 C37 C38 178.2(5) . .
O20 Sn4 C37 C38 -72.4(5) . .
Sn4 C37 C38 C39 -175.4(5) . .
C37 C38 C39 C40 -178.8(6) . .
C37 Sn4 C41 C42 103.9(10) . .
O6 Sn4 C41 C42 -105.4(5) . .
O7 Sn4 C41 C42 -24.1(5) . .
O19 Sn4 C41 C42 169.5(5) . .
O20 Sn4 C41 C42 60.6(5) . .
Sn4 C41 C42 C43 -162.2(5) . .
C41 C42 C43 C44 -175.6(7) . .
C49 Sn5 C45 C46 -148.2(9) . .
O21 Sn5 C45 C46 11.1(5) . .
O22 Sn5 C45 C46 88.4(5) . .
O8 Sn5 C45 C46 -73.9(5) . .
O9 Sn5 C45 C46 171.9(5) . .
Sn5 C45 C46 C47 170.9(5) . .
C45 C46 C47 C48 178.9(8) . .
O21 Sn5 C49 C50 44.9(5) . .
C45 Sn5 C49 C50 -156.0(8) . .
O22 Sn5 C49 C50 -32.7(5) . .
O8 Sn5 C49 C50 130.4(5) . .
O9 Sn5 C49 C50 -116.0(5) . .
Sn5 C49 C50 C51 -179.8(5) . .
C49 C50 C51 C52 176.4(6) . .
C57 Sn6 C53 C54 -136.3(10) . .
O10 Sn6 C53 C54 82.3(5) . .
O14 Sn6 C53 C54 4.1(5) . .
O23 Sn6 C53 C54 169.4(5) . .
O11 Sn6 C53 C54 -80.4(5) . .
Sn6 C53 C54 C55 178.6(5) . .
C53 C54 C55 C56 177.1(6) . .
C53 Sn6 C57 C58 130.0(11) . .
O10 Sn6 C57 C58 -89.1(7) . .
O14 Sn6 C57 C58 -10.1(7) . .
O23 Sn6 C57 C58 -176.0(7) . .
O11 Sn6 C57 C58 75.0(7) . .
Sn6 C57 C58 C59 79.5(9) . .
C57 C58 C59 C60 171.1(8) . .
