#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/71/2237138.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2237138
loop_
_publ_author_name
'Reichelt, Martin'
'Reuter, Hans'
_publ_section_title
;
 Hexa-μ₂-acetato-hexa-n-butylhexa-μ₃-oxido-tin(IV) toluene
 monosolvate
;
_journal_coeditor_code           FJ2609
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m4
_journal_paper_doi               10.1107/S160053681204888X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Sn6 (C4 H9)6 (C2 H3 O2)6 O6], C7 H8'
_chemical_formula_moiety         'C36 H72 O18 Sn6, C7 H8'
_chemical_formula_sum            'C43 H80 O18 Sn6'
_chemical_formula_weight         1597.21
_chemical_name_systematic
;
Hexa-μ₂-acetato-hexa-n-butylhexa-μ₃-oxido-tin(IV) toluene
monosolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.926(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.4154(8)
_cell_length_b                   15.5832(6)
_cell_length_c                   16.1012(6)
_cell_measurement_reflns_used    9091
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.04
_cell_measurement_theta_min      2.62
_cell_volume                     5861.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            76854
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.579
_exptl_absorpt_correction_T_max  0.7825
_exptl_absorpt_correction_T_min  0.5088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3128
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.649
_refine_diff_density_min         -0.611
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6788
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0188P)²+9.9195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0423
_refine_ls_wR_factor_ref         0.0458
_reflns_number_gt                5890
_reflns_number_total             6788
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fj2609.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2237138
_cod_database_fobs_code          2237138
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.218624(6) 0.777418(9) 0.142503(8) 0.01627(4) Uani d . 1 1 A .
Sn Sn2 0.343645(6) 0.788062(10) 0.073955(8) 0.01612(4) Uani d . 1 1 . .
Sn Sn3 0.238831(6) 0.599363(9) 0.049412(8) 0.01573(4) Uani d . 1 1 . .
O O1 0.26833(6) 0.86006(10) 0.07422(8) 0.0175(3) Uani d . 1 1 . .
O O2 0.28513(6) 0.69761(10) 0.11156(8) 0.0172(3) Uani d . 1 1 A .
O O3 0.17758(6) 0.69645(10) 0.05325(9) 0.0171(3) Uani d . 1 1 . .
O O4 0.27161(7) 0.81598(10) 0.25130(9) 0.0228(4) Uani d . 1 1 . .
O O5 0.35980(7) 0.81837(10) 0.20439(9) 0.0223(4) Uani d . 1 1 . .
C C4 0.32520(11) 0.82347(14) 0.26131(13) 0.0208(5) Uani d . 1 1 A .
C C5 0.35026(11) 0.84157(18) 0.34786(14) 0.0309(6) Uani d . 1 1 . .
H H5A 0.3916 0.8310 0.3507 0.064(3) Uiso calc R 1 1 A .
H H5B 0.3324 0.8040 0.3874 0.064(3) Uiso calc R 1 1 . .
H H5C 0.3432 0.9016 0.3620 0.064(3) Uiso calc R 1 1 . .
O O6 0.39045(7) 0.90787(10) 0.06712(9) 0.0212(3) Uani d . 1 1 . .
O O7 0.33111(7) 0.98846(10) -0.01633(9) 0.0204(3) Uani d . 1 1 . .
C C6 0.37742(10) 0.97521(15) 0.02701(13) 0.0194(5) Uani d . 1 1 A .
C C7 0.42114(11) 1.04577(16) 0.03037(15) 0.0276(5) Uani d . 1 1 . .
H H7A 0.4479 1.0365 -0.0130 0.064(3) Uiso calc R 1 1 A .
H H7B 0.4422 1.0458 0.0851 0.064(3) Uiso calc R 1 1 . .
H H7C 0.4019 1.1011 0.0212 0.064(3) Uiso calc R 1 1 . .
O O8 0.21456(7) 0.55655(10) 0.17029(9) 0.0223(3) Uani d . 1 1 A .
O O9 0.19702(7) 0.68149(10) 0.23257(9) 0.0229(4) Uani d . 1 1 . .
C C8 0.20029(10) 0.60108(15) 0.23140(13) 0.0202(5) Uani d . 1 1 A .
C C9 0.18485(12) 0.55366(17) 0.30800(14) 0.0303(6) Uani d . 1 1 . .
H H9A 0.1954 0.5884 0.3574 0.064(3) Uiso calc R 1 1 A .
H H9B 0.2055 0.4990 0.3118 0.064(3) Uiso calc R 1 1 . .
H H9C 0.1435 0.5427 0.3047 0.064(3) Uiso calc R 1 1 . .
C C11 0.14968(11) 0.86040(16) 0.16782(16) 0.0282(6) Uani d . 1 1 . .
H H11A 0.1221 0.8613 0.1184 0.053(3) Uiso calc R 1 1 A .
H H11B 0.1297 0.8360 0.2146 0.053(3) Uiso calc R 1 1 . .
C C12 0.16665(11) 0.95254(16) 0.18958(15) 0.0273(5) Uani d . 1 1 A .
H H12A 0.1903 0.9527 0.2429 0.053(3) Uiso calc R 1 1 . .
H H12B 0.1905 0.9751 0.1461 0.053(3) Uiso calc R 1 1 . .
C C13 0.11608(13) 1.01168(18) 0.1972(2) 0.0445(8) Uani d . 1 1 . .
H H13A 0.0944 0.9926 0.2445 0.053(3) Uiso calc R 1 1 A .
H H13B 0.0903 1.0072 0.1459 0.053(3) Uiso calc R 1 1 . .
C C14 0.13350(16) 1.10523(19) 0.2104(2) 0.0563(10) Uani d . 1 1 A .
H H14A 0.1584 1.1103 0.2616 0.053(3) Uiso calc R 1 1 . .
H H14B 0.0992 1.1404 0.2151 0.053(3) Uiso calc R 1 1 . .
H H14C 0.1541 1.1250 0.1630 0.053(3) Uiso calc R 1 1 . .
C C21 0.41783(11) 0.70950(17) 0.07025(15) 0.0288(6) Uani d . 1 1 . .
H H21A 0.4323 0.6962 0.1281 0.110(5) Uiso calc R 1 1 A .
H H21B 0.4067 0.6546 0.0427 0.110(5) Uiso calc R 1 1 . .
C C22 0.46616(13) 0.7496(2) 0.0248(2) 0.0513(9) Uani d . 1 1 A .
H H22A 0.4788 0.8029 0.0540 0.110(5) Uiso calc R 1 1 . .
H H22B 0.4513 0.7655 -0.0322 0.110(5) Uiso calc R 1 1 . .
C C23 0.51778(14) 0.6905(2) 0.0190(3) 0.0629(10) Uani d . 1 1 . .
H H23A 0.5495 0.7237 -0.0030 0.110(5) Uiso calc R 1 1 A .
H H23B 0.5306 0.6707 0.0756 0.110(5) Uiso calc R 1 1 . .
C C24 0.50580(17) 0.6140(3) -0.0354(3) 0.0911(16) Uani d . 1 1 A .
H H24A 0.4739 0.5814 -0.0149 0.110(5) Uiso calc R 1 1 . .
H H24B 0.5399 0.5775 -0.0343 0.110(5) Uiso calc R 1 1 . .
H H24C 0.4958 0.6329 -0.0926 0.110(5) Uiso calc R 1 1 . .
C C31 0.30603(10) 0.50768(13) 0.04935(14) 0.0229(5) Uani d PD 0.90 1 A 1
H H31A 0.3264 0.5160 -0.0019 0.050(3) Uiso calc PR 0.90 1 A 1
H H31B 0.3336 0.5200 0.0973 0.050(3) Uiso calc PR 0.90 1 A 1
C C32 0.28870(13) 0.41416(12) 0.05386(19) 0.0290(7) Uani d PD 0.90 1 A 1
H H32A 0.2640 0.3994 0.0035 0.050(3) Uiso calc PR 0.90 1 A 1
H H32B 0.2660 0.4056 0.1029 0.050(3) Uiso calc PR 0.90 1 A 1
C C33 0.33987(14) 0.35436(16) 0.0603(2) 0.0412(9) Uani d PD 0.90 1 A 1
H H33A 0.3609 0.3601 0.0093 0.050(3) Uiso calc PR 0.90 1 A 1
H H33B 0.3660 0.3722 0.1081 0.050(3) Uiso calc PR 0.90 1 A 1
C C34 0.32403(17) 0.26092(18) 0.0712(2) 0.0549(10) Uani d PD 0.90 1 A 1
H H34A 0.3020 0.2548 0.1205 0.050(3) Uiso calc PR 0.90 1 A 1
H H34B 0.3590 0.2263 0.0783 0.050(3) Uiso calc PR 0.90 1 A 1
H H34C 0.3009 0.2412 0.0218 0.050(3) Uiso calc PR 0.90 1 A 1
C C35 0.30603(10) 0.50768(13) 0.04935(14) 0.0229(5) Uani d PD 0.10 1 A 2
H H35A 0.3353 0.5282 0.0125 0.050(3) Uiso calc PR 0.10 1 A 2
H H35B 0.3244 0.5028 0.1064 0.050(3) Uiso calc PR 0.10 1 A 2
C C36 0.2853(11) 0.4198(7) 0.0203(18) 0.0290(7) Uani d PD 0.10 1 A 2
H H36A 0.2532 0.4033 0.0540 0.050(3) Uiso calc PR 0.10 1 A 2
H H36B 0.2695 0.4254 -0.0381 0.050(3) Uiso calc PR 0.10 1 A 2
C C37 0.3279(15) 0.346(2) 0.0239(18) 0.0412(9) Uani d PD 0.10 1 A 2
H H37A 0.3591 0.3610 -0.0122 0.050(3) Uiso calc PR 0.10 1 A 2
H H37B 0.3084 0.2947 0.0002 0.050(3) Uiso calc PR 0.10 1 A 2
C C38 0.3546(15) 0.324(2) 0.1096(16) 0.0549(10) Uani d PD 0.10 1 A 2
H H38A 0.3673 0.3767 0.1386 0.050(3) Uiso calc PR 0.10 1 A 2
H H38B 0.3875 0.2862 0.1040 0.050(3) Uiso calc PR 0.10 1 A 2
H H38C 0.3263 0.2948 0.1416 0.050(3) Uiso calc PR 0.10 1 A 2
C C41 0.5000 -0.0820(4) 0.2500 0.100(2) Uani d S 1 2 . .
H H41A 0.4606 -0.1030 0.2518 0.150 Uiso calc PR 0.50 1 . .
H H41B 0.5231 -0.1030 0.2989 0.150 Uiso calc PR 0.50 1 . .
H H41C 0.5163 -0.1030 0.1993 0.150 Uiso calc PR 0.50 1 . .
C C42 0.5000 0.0141(4) 0.2500 0.0587(14) Uani d S 1 2 . .
C C43 0.54010(18) 0.0576(4) 0.2095(3) 0.0852(15) Uani d . 1 1 . .
H H43 0.5679 0.0270 0.1809 0.102 Uiso calc R 1 1 . .
C C44 0.5404(3) 0.1462(5) 0.2097(5) 0.152(4) Uani d . 1 1 . .
H H44 0.5686 0.1767 0.1820 0.182 Uiso calc R 1 1 . .
C C45 0.5000 0.1894(7) 0.2500 0.192(8) Uani d S 1 2 . .
H H45 0.5000 0.2504 0.2500 0.230 Uiso calc SR 1 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O2 Sn1 O3 . . 77.96(6)
O2 Sn1 O1 . . 77.88(6)
O3 Sn1 O1 . . 104.78(6)
O2 Sn1 C11 . . 177.18(8)
O3 Sn1 C11 . . 100.30(8)
O1 Sn1 C11 . . 100.53(8)
O2 Sn1 O4 . . 87.87(6)
O3 Sn1 O4 . . 159.07(6)
O1 Sn1 O4 . . 86.89(6)
C11 Sn1 O4 . . 94.39(8)
O2 Sn1 O9 . . 87.75(6)
O3 Sn1 O9 . . 85.78(6)
O1 Sn1 O9 . . 159.73(6)
C11 Sn1 O9 . . 94.36(8)
O4 Sn1 O9 . . 78.27(6)
O2 Sn2 O3 . 7_565 104.24(6)
O2 Sn2 O1 . . 77.93(6)
O3 Sn2 O1 7_565 . 78.22(5)
O2 Sn2 C21 . . 99.96(8)
O3 Sn2 C21 7_565 . 100.30(8)
O1 Sn2 C21 . . 176.96(8)
O2 Sn2 O5 . . 86.58(6)
O3 Sn2 O5 7_565 . 160.42(6)
O1 Sn2 O5 . . 88.41(6)
C21 Sn2 O5 . . 93.67(8)
O2 Sn2 O6 . . 160.09(6)
O3 Sn2 O6 7_565 . 86.44(6)
O1 Sn2 O6 . . 88.13(6)
C21 Sn2 O6 . . 94.44(8)
O5 Sn2 O6 . . 78.81(6)
O1 Sn3 O3 7_565 . 78.34(6)
O1 Sn3 O2 7_565 . 103.89(6)
O3 Sn3 O2 . . 77.88(6)
O1 Sn3 C31 7_565 . 102.40(7)
O3 Sn3 C31 . . 175.48(7)
O2 Sn3 C31 . . 97.63(7)
O1 Sn3 O8 7_565 . 160.23(6)
O3 Sn3 O8 . . 88.49(6)
O2 Sn3 O8 . . 87.42(6)
C31 Sn3 O8 . . 91.90(7)
O1 Sn3 O7 7_565 7_565 86.96(6)
O3 Sn3 O7 . 7_565 87.47(6)
O2 Sn3 O7 . 7_565 159.40(6)
C31 Sn3 O7 . 7_565 97.01(7)
O8 Sn3 O7 . 7_565 77.69(6)
Sn3 O1 Sn2 7_565 . 100.00(6)
Sn3 O1 Sn1 7_565 . 132.51(7)
Sn2 O1 Sn1 . . 99.79(6)
Sn1 O2 Sn2 . . 100.55(6)
Sn1 O2 Sn3 . . 100.39(6)
Sn2 O2 Sn3 . . 133.30(7)
Sn2 O3 Sn3 7_565 . 99.94(6)
Sn2 O3 Sn1 7_565 . 132.08(7)
Sn3 O3 Sn1 . . 99.95(6)
C4 O4 Sn1 . . 129.87(14)
C4 O5 Sn2 . . 129.71(15)
O4 C4 O5 . . 125.6(2)
O4 C4 C5 . . 117.3(2)
O5 C4 C5 . . 117.0(2)
C4 C5 H5A . . 109.5
C4 C5 H5B . . 109.5
H5A C5 H5B . . 109.5
C4 C5 H5C . . 109.5
H5A C5 H5C . . 109.5
H5B C5 H5C . . 109.5
C6 O6 Sn2 . . 129.60(15)
C6 O7 Sn3 . 7_565 129.45(14)
O6 C6 O7 . . 126.0(2)
O6 C6 C7 . . 116.8(2)
O7 C6 C7 . . 117.2(2)
C6 C7 H7A . . 109.5
C6 C7 H7B . . 109.5
H7A C7 H7B . . 109.5
C6 C7 H7C . . 109.5
H7A C7 H7C . . 109.5
H7B C7 H7C . . 109.5
C8 O8 Sn3 . . 128.85(14)
C8 O9 Sn1 . . 131.40(14)
O9 C8 O8 . . 125.3(2)
O9 C8 C9 . . 117.4(2)
O8 C8 C9 . . 117.3(2)
C8 C9 H9A . . 109.5
C8 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C8 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
C12 C11 Sn1 . . 115.28(17)
C12 C11 H11A . . 108.5
Sn1 C11 H11A . . 108.5
C12 C11 H11B . . 108.5
Sn1 C11 H11B . . 108.5
H11A C11 H11B . . 107.5
C13 C12 C11 . . 113.6(2)
C13 C12 H12A . . 108.9
C11 C12 H12A . . 108.9
C13 C12 H12B . . 108.9
C11 C12 H12B . . 108.9
H12A C12 H12B . . 107.7
C12 C13 C14 . . 113.0(3)
C12 C13 H13A . . 109.0
C14 C13 H13A . . 109.0
C12 C13 H13B . . 109.0
C14 C13 H13B . . 109.0
H13A C13 H13B . . 107.8
C13 C14 H14A . . 109.5
C13 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
C13 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
C22 C21 Sn2 . . 114.34(19)
C22 C21 H21A . . 108.7
Sn2 C21 H21A . . 108.7
C22 C21 H21B . . 108.7
Sn2 C21 H21B . . 108.7
H21A C21 H21B . . 107.6
C21 C22 C23 . . 113.6(3)
C21 C22 H22A . . 108.9
C23 C22 H22A . . 108.9
C21 C22 H22B . . 108.9
C23 C22 H22B . . 108.9
H22A C22 H22B . . 107.7
C24 C23 C22 . . 113.5(3)
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
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
C32 C31 Sn3 . . 116.47(17)
C32 C31 H31A . . 108.2
Sn3 C31 H31A . . 108.2
C32 C31 H31B . . 108.2
Sn3 C31 H31B . . 108.2
H31A C31 H31B . . 107.3
C31 C32 C33 . . 112.4(3)
C31 C32 H32A . . 109.1
C33 C32 H32A . . 109.1
C31 C32 H32B . . 109.1
C33 C32 H32B . . 109.1
H32A C32 H32B . . 107.9
C34 C33 C32 . . 113.6(3)
C34 C33 H33A . . 108.9
C32 C33 H33A . . 108.9
C34 C33 H33B . . 108.9
C32 C33 H33B . . 108.9
H33A C33 H33B . . 107.7
C37 C36 H36A . . 107.8
C37 C36 H36B . . 107.8
H36A C36 H36B . . 107.1
C36 C37 C38 . . 116(3)
C36 C37 H37A . . 108.3
C38 C37 H37A . . 108.3
C36 C37 H37B . . 108.3
C38 C37 H37B . . 108.3
H37A C37 H37B . . 107.4
C37 C38 H38A . . 109.5
C37 C38 H38B . . 109.5
H38A C38 H38B . . 109.5
C37 C38 H38C . . 109.5
H38A C38 H38C . . 109.5
H38B C38 H38C . . 109.5
C42 C41 H41A . . 109.5
C42 C41 H41B . . 109.5
H41A C41 H41B . . 109.5
C42 C41 H41C . . 109.5
H41A C41 H41C . . 109.5
H41B C41 H41C . . 109.5
C43 C42 C43 2_655 . 120.3(7)
C43 C42 C41 2_655 . 119.9(3)
C43 C42 C41 . . 119.9(3)
C42 C43 C44 . . 120.0(6)
C42 C43 H43 . . 120.0
C44 C43 H43 . . 120.0
C45 C44 C43 . . 119.5(9)
C45 C44 H44 . . 120.2
C43 C44 H44 . . 120.2
C44 C45 C44 2_655 . 120.7(12)
C44 C45 H45 2_655 . 119.7
C44 C45 H45 . . 119.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Sn1 O1 . 2.0969(15)
Sn1 O2 . 2.0800(15)
Sn1 O3 . 2.0957(15)
Sn1 O4 . 2.1614(15)
Sn1 O9 . 2.1665(15)
Sn1 C11 . 2.129(2)
Sn2 O1 . 2.0903(15)
Sn2 O2 . 2.0843(15)
Sn2 O3 7_565 2.0882(14)
Sn2 O5 . 2.1606(15)
Sn2 O6 . 2.1715(15)
Sn2 C21 . 2.129(2)
Sn3 O1 7_565 2.0845(14)
Sn3 O2 . 2.0909(15)
Sn3 O3 . 2.0885(15)
Sn3 O7 7_565 2.1724(15)
Sn3 O8 . 2.1697(14)
Sn3 C31 . 2.125(2)
O1 Sn3 7_565 2.0845(14)
O3 Sn2 7_565 2.0882(14)
O4 C4 . 1.260(3)
O5 C4 . 1.267(3)
C4 C5 . 1.501(3)
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
O6 C6 . 1.259(3)
O7 C6 . 1.266(3)
O7 Sn3 7_565 2.1724(15)
C6 C7 . 1.501(3)
C7 H7A . 0.9800
C7 H7B . 0.9800
C7 H7C . 0.9800
O8 C8 . 1.267(3)
O9 C8 . 1.256(3)
C8 C9 . 1.503(3)
C9 H9A . 0.9800
C9 H9B . 0.9800
C9 H9C . 0.9800
C11 C12 . 1.524(3)
C11 H11A . 0.9900
C11 H11B . 0.9900
C12 C13 . 1.512(4)
C12 H12A . 0.9900
C12 H12B . 0.9900
C13 C14 . 1.525(4)
C13 H13A . 0.9900
C13 H13B . 0.9900
C14 H14A . 0.9800
C14 H14B . 0.9800
C14 H14C . 0.9800
C21 C22 . 1.523(4)
C21 H21A . 0.9900
C21 H21B . 0.9900
C22 C23 . 1.527(4)
C22 H22A . 0.9900
C22 H22B . 0.9900
C23 C24 . 1.494(5)
C23 H23A . 0.9900
C23 H23B . 0.9900
C24 H24A . 0.9800
C24 H24B . 0.9800
C24 H24C . 0.9800
C31 C32 . 1.516(2)
C31 H31A . 0.9900
C31 H31B . 0.9900
C32 C33 . 1.516(2)
C32 H32A . 0.9900
C32 H32B . 0.9900
C33 C34 . 1.516(2)
C33 H33A . 0.9900
C33 H33B . 0.9900
C34 H34A . 0.9800
C34 H34B . 0.9800
C34 H34C . 0.9800
C36 C37 . 1.516(2)
C36 H36A . 0.9900
C36 H36B . 0.9900
C37 C38 . 1.516(2)
C37 H37A . 0.9900
C37 H37B . 0.9900
C38 H38A . 0.9800
C38 H38B . 0.9800
C38 H38C . 0.9800
C41 C42 . 1.498(8)
C41 H41A . 0.9800
C41 H41B . 0.9800
C41 H41C . 0.9800
C42 C43 2_655 1.360(5)
C42 C43 . 1.360(5)
C43 C44 . 1.381(9)
C43 H43 . 0.9500
C44 C45 . 1.362(10)
C44 H44 . 0.9500
C45 C44 2_655 1.362(10)
C45 H45 . 0.9500
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Sn2 O2 Sn3 O1 . . . 7_565 -25.88(11) y
O2 Sn3 O1 Sn1 . . 7_565 7_565 24.87(11) y
Sn3 O1 Sn1 O3 . 7_565 7_565 7_565 -24.64(11) y
O1 Sn1 O3 Sn2 7_565 7_565 7_565 . 24.53(11) y
Sn1 O3 Sn2 O2 7_565 7_565 . . -24.89(11) y
O3 Sn2 O2 Sn3 7_565 . . . 25.96(11) y
