#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/31/8103107.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_8103107
loop_
_publ_author_name
'Rui-Fang Ding'
'Qi-Bao Wang'
'Xin-Min Wen'
_publ_section_title
;
 Crystal structure of
 bis(m3-oxo)-bis[μ2-2-(2-formylphenoxy)acetato-O,O']-bis[m2-2-(2-formylphenoxy)-
 acetato-O,O']-octakis(n-butyl)tetratin(IV), Sn4O2(C9H7O4)4(C4H9)8
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              31
_journal_volume                  226
_journal_year                    2011
_chemical_formula_sum            'C34 H50 O9 Sn2'
_chemical_formula_weight         840.12
_chemical_name_systematic
;
Bis(μ₃-Oxo)-Bis[μ₂-2-(2-Formylphenoxy)acetato-O,O']
-Bis[μ₂-2-(2-Formylphenoxy)acetato-O,O']-Octakis(n-Butyl)-tetra-Tin(IV)
;
_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
_audit_update_record
;
2010-11-26 # Formatted by publCIF
;
_cell_angle_alpha                100.443(10)
_cell_angle_beta                 105.201(10)
_cell_angle_gamma                98.874(10)
_cell_formula_units_Z            2
_cell_length_a                   11.680(7)
_cell_length_b                   12.749(8)
_cell_length_c                   13.991(9)
_cell_measurement_reflns_used    3098
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.09
_cell_measurement_theta_min      2.21
_cell_volume                     1932(2)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9748
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  0.8244
_exptl_absorpt_correction_T_min  0.7307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadbs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.663
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6687
_refine_ls_number_restraints     137
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.555
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.8609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1814
_refine_ls_wR_factor_ref         0.2001
_reflns_number_gt                4634
_reflns_number_total             6687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3306.cff
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8103107
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
Sn1 Sn 0.85879(5) -0.04856(4) 0.49928(4) 0.0494(2) Uani 1 1 d .
Sn2 Sn 1.03455(5) 0.74259(4) 0.45621(5) 0.0585(2) Uani 1 1 d .
O1 O 0.7013(5) 0.0372(4) 0.5069(5) 0.0626(16) Uani 1 1 d D
O2 O 0.9737(5) 0.0964(4) 0.5151(4) 0.0517(14) Uani 1 1 d .
O3 O 0.5733(6) 0.2609(5) 0.5922(6) 0.081(2) Uani 1 1 d .
O5 O 0.8514(5) 0.7310(4) 0.4735(5) 0.0669(17) Uani 1 1 d .
O6 O 0.8465(6) 0.5543(5) 0.4372(6) 0.088(2) Uani 1 1 d .
O7 O 1.2203(6) 0.7859(5) 0.4306(6) 0.090(2) Uani 1 1 d .
O8 O 0.6000(6) 0.4995(6) 0.3994(6) 0.085(2) Uani 1 1 d .
O4 O 0.7210(12) 0.5818(8) 0.6813(8) 0.146(4) Uani 1 1 d .
C1 C 0.6837(13) 0.4823(12) 0.6577(13) 0.115(5) Uani 1 1 d .
H1 H 0.6555 0.4489 0.5887 0.139 Uiso 1 1 calc R
C2 C 0.6799(10) 0.4120(11) 0.7292(9) 0.086(3) Uani 1 1 d .
C3 C 0.6324(10) 0.3019(9) 0.6958(9) 0.075(3) Uani 1 1 d .
C4 C 0.6370(15) 0.2390(13) 0.7659(13) 0.122(5) Uani 1 1 d .
H4 H 0.6058 0.1641 0.7450 0.147 Uiso 1 1 calc R
C5 C 0.6892(18) 0.2890(17) 0.8690(13) 0.148(7) Uani 1 1 d .
H5 H 0.6925 0.2461 0.9164 0.178 Uiso 1 1 calc R
C6 C 0.7341(19) 0.3947(18) 0.9016(14) 0.151(7) Uani 1 1 d .
H6 H 0.7655 0.4261 0.9711 0.181 Uiso 1 1 calc R
C7 C 0.7339(16) 0.4569(15) 0.8336(14) 0.135(6) Uani 1 1 d .
H7 H 0.7701 0.5308 0.8562 0.161 Uiso 1 1 calc R
C8 C 0.5706(8) 0.1505(7) 0.5456(8) 0.070(3) Uani 1 1 d .
H8A H 0.5170 0.1317 0.4763 0.084 Uiso 1 1 calc R
H8B H 0.5385 0.1019 0.5827 0.084 Uiso 1 1 calc R
C9 C 0.6942(8) 0.1348(7) 0.5446(7) 0.059(2) Uani 1 1 d D
C10 C 0.7521(10) -0.1129(8) 0.3466(7) 0.081(3) Uani 1 1 d DU
H10A H 0.7906 -0.1660 0.3152 0.097 Uiso 1 1 calc R
H10B H 0.6736 -0.1517 0.3462 0.097 Uiso 1 1 calc R
C11 C 0.7317(13) -0.0309(10) 0.2817(8) 0.109(3) Uani 1 1 d DU
H11A H 0.8094 0.0097 0.2824 0.131 Uiso 1 1 calc R
H11B H 0.6890 0.0203 0.3098 0.131 Uiso 1 1 calc R
C12 C 0.6567(15) -0.0890(12) 0.1708(9) 0.131(4) Uani 1 1 d DU
H12A H 0.7006 -0.1386 0.1421 0.157 Uiso 1 1 calc R
H12B H 0.5801 -0.1315 0.1704 0.157 Uiso 1 1 calc R
C13 C 0.6325(18) -0.0081(14) 0.1063(12) 0.177(6) Uani 1 1 d DU
H13A H 0.6254 0.0582 0.1475 0.265 Uiso 1 1 calc R
H13B H 0.5582 -0.0378 0.0520 0.265 Uiso 1 1 calc R
H13C H 0.6982 0.0071 0.0783 0.265 Uiso 1 1 calc R
C14 C 0.8779(12) -0.0644(11) 0.6499(9) 0.105(3) Uani 1 1 d DU
H14A H 0.9333 -0.1132 0.6624 0.126 Uiso 1 1 calc R
H14B H 0.9207 0.0067 0.6933 0.126 Uiso 1 1 calc R
C15 C 0.7801(17) -0.1004(18) 0.6903(12) 0.185(5) Uani 1 1 d DU
H15A H 0.7397 -0.1744 0.6531 0.222 Uiso 1 1 calc R
H15B H 0.7213 -0.0546 0.6777 0.222 Uiso 1 1 calc R
C16 C 0.8189(18) -0.0978(16) 0.8049(12) 0.174(5) Uani 1 1 d DU
H16A H 0.7867 -0.1688 0.8143 0.208 Uiso 1 1 calc R
H16B H 0.9068 -0.0851 0.8293 0.208 Uiso 1 1 calc R
C17 C 0.778(2) -0.0138(16) 0.8672(14) 0.209(7) Uani 1 1 d DU
H17A H 0.8349 0.0546 0.8841 0.313 Uiso 1 1 calc R
H17B H 0.7732 -0.0351 0.9287 0.313 Uiso 1 1 calc R
H17C H 0.6996 -0.0062 0.8295 0.313 Uiso 1 1 calc R
O9 O 0.5082(10) 0.1802(7) 0.3083(8) 0.123(3) Uani 1 1 d .
C18 C 0.5311(11) 0.2795(11) 0.3329(11) 0.101(4) Uani 1 1 d .
H18 H 0.5402 0.3132 0.4000 0.121 Uiso 1 1 calc R
C19 C 0.5446(9) 0.3479(11) 0.2626(10) 0.084(3) Uani 1 1 d .
C20 C 0.5837(9) 0.4610(11) 0.2989(9) 0.080(3) Uani 1 1 d .
C21 C 0.6015(11) 0.5243(12) 0.2318(12) 0.104(4) Uani 1 1 d .
H21 H 0.6310 0.5993 0.2548 0.125 Uiso 1 1 calc R
C22 C 0.5749(14) 0.4745(18) 0.1295(13) 0.139(6) Uani 1 1 d .
H22 H 0.5824 0.5178 0.0837 0.167 Uiso 1 1 calc R
C23 C 0.5377(15) 0.3626(17) 0.0935(13) 0.134(6) Uani 1 1 d .
H23 H 0.5266 0.3299 0.0258 0.161 Uiso 1 1 calc R
C24 C 0.5179(12) 0.3020(12) 0.1602(10) 0.104(4) Uani 1 1 d .
H24 H 0.4854 0.2276 0.1361 0.124 Uiso 1 1 calc R
C25 C 0.6625(9) 0.6119(9) 0.4451(10) 0.088(3) Uani 1 1 d .
H25A H 0.6540 0.6328 0.5127 0.106 Uiso 1 1 calc R
H25B H 0.6252 0.6587 0.4045 0.106 Uiso 1 1 calc R
C26 C 0.7968(8) 0.6287(7) 0.4526(7) 0.061(2) Uani 1 1 d .
C27 C 1.1299(10) 0.7063(9) 0.5930(8) 0.087(3) Uani 1 1 d DU
H27A H 1.1623 0.6422 0.5760 0.104 Uiso 1 1 calc R
H27B H 1.1982 0.7666 0.6292 0.104 Uiso 1 1 calc R
C28 C 1.0533(12) 0.6854(11) 0.6654(9) 0.112(3) Uani 1 1 d DU
H28A H 1.0150 0.7465 0.6790 0.134 Uiso 1 1 calc R
H28B H 0.9897 0.6204 0.6331 0.134 Uiso 1 1 calc R
C29 C 1.1321(13) 0.6709(13) 0.7643(9) 0.128(4) Uani 1 1 d DU
H29A H 1.1598 0.6034 0.7507 0.154 Uiso 1 1 calc R
H29B H 1.2032 0.7301 0.7893 0.154 Uiso 1 1 calc R
C30 C 1.0740(16) 0.6682(15) 0.8444(11) 0.166(5) Uani 1 1 d DU
H30A H 1.0908 0.7402 0.8870 0.249 Uiso 1 1 calc R
H30B H 1.1050 0.6196 0.8846 0.249 Uiso 1 1 calc R
H30C H 0.9878 0.6431 0.8143 0.249 Uiso 1 1 calc R
C31 C 0.9747(12) 0.6650(10) 0.3000(9) 0.104(3) Uani 1 1 d DU
H31A H 1.0203 0.6086 0.2896 0.125 Uiso 1 1 calc R
H31B H 0.8902 0.6287 0.2832 0.125 Uiso 1 1 calc R
C32 C 0.9844(15) 0.7332(12) 0.2269(10) 0.135(4) Uani 1 1 d DU
H32A H 1.0696 0.7625 0.2370 0.162 Uiso 1 1 calc R
H32B H 0.9463 0.7944 0.2409 0.162 Uiso 1 1 calc R
C33 C 0.9251(16) 0.6714(13) 0.1148(10) 0.149(5) Uani 1 1 d DU
H33A H 0.9719 0.6181 0.0977 0.179 Uiso 1 1 calc R
H33B H 0.8442 0.6319 0.1074 0.179 Uiso 1 1 calc R
C34 C 0.916(2) 0.7426(16) 0.0415(12) 0.188(6) Uani 1 1 d DU
H34A H 0.8713 0.7964 0.0583 0.282 Uiso 1 1 calc R
H34B H 0.8756 0.6991 -0.0262 0.282 Uiso 1 1 calc R
H34C H 0.9964 0.7783 0.0448 0.282 Uiso 1 1 calc R
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
O2 Sn1 C10 111.2(3) . .
O2 Sn1 C14 104.5(4) . .
C10 Sn1 C14 143.5(5) . .
O2 Sn1 O2 76.1(2) . 2_756
C10 Sn1 O2 97.6(3) . 2_756
C14 Sn1 O2 97.8(4) . 2_756
O2 Sn1 O1 91.7(2) . .
C10 Sn1 O1 83.0(3) . .
C14 Sn1 O1 88.9(4) . .
O2 Sn1 O1 167.2(2) 2_756 .
O2 Sn2 C31 113.7(4) 2_766 .
O2 Sn2 C27 108.8(3) 2_766 .
C31 Sn2 C27 136.4(5) . .
O2 Sn2 O5 79.4(2) 2_766 .
C31 Sn2 O5 95.3(4) . .
C27 Sn2 O5 101.2(4) . .
O2 Sn2 O7 90.5(2) 2_766 .
C31 Sn2 O7 84.7(4) . .
C27 Sn2 O7 86.1(4) . .
O5 Sn2 O7 169.0(2) . .
C9 O1 Sn1 134.4(6) . .
Sn2 O2 Sn1 135.9(3) 2_766 .
Sn2 O2 Sn1 120.2(2) 2_766 2_756
Sn1 O2 Sn1 103.9(2) . 2_756
C3 O3 C8 119.7(8) . .
C26 O5 Sn2 109.7(5) . .
C9 O7 Sn2 138.2(6) 2_766 .
C20 O8 C25 117.9(9) . .
O4 C1 C2 125.5(15) . .
O4 C1 H1 117.3 . .
C2 C1 H1 117.2 . .
C3 C2 C7 119.3(14) . .
C3 C2 C1 121.5(12) . .
C7 C2 C1 119.1(14) . .
C4 C3 O3 123.0(12) . .
C4 C3 C2 119.0(12) . .
O3 C3 C2 117.8(11) . .
C3 C4 C5 118.9(16) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C6 C5 C4 122.4(18) . .
C6 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
C5 C6 C7 119.3(17) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C6 C7 C2 120.9(16) . .
C6 C7 H7 119.5 . .
C2 C7 H7 119.5 . .
O3 C8 C9 111.4(7) . .
O3 C8 H8A 109.4 . .
C9 C8 H8A 109.4 . .
O3 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
O7 C9 O1 123.5(8) 2_766 .
O7 C9 C8 120.4(8) 2_766 .
O1 C9 C8 115.8(8) . .
C11 C10 Sn1 115.9(7) . .
C11 C10 H10A 108.3 . .
Sn1 C10 H10A 108.3 . .
C11 C10 H10B 108.3 . .
Sn1 C10 H10B 108.3 . .
H10A C10 H10B 107.4 . .
C10 C11 C12 110.7(10) . .
C10 C11 H11A 109.5 . .
C12 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C13 C12 C11 111.2(11) . .
C13 C12 H12A 109.4 . .
C11 C12 H12A 109.4 . .
C13 C12 H12B 109.4 . .
C11 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C12 C13 H13A 109.4 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 Sn1 126.1(10) . .
C15 C14 H14A 105.4 . .
Sn1 C14 H14A 105.8 . .
C15 C14 H14B 106.2 . .
Sn1 C14 H14B 105.8 . .
H14A C14 H14B 106.2 . .
C14 C15 C16 115.3(13) . .
C14 C15 H15A 108.8 . .
C16 C15 H15A 108.7 . .
C14 C15 H15B 108.1 . .
C16 C15 H15B 108.2 . .
H15A C15 H15B 107.5 . .
C17 C16 C15 114.0(15) . .
C17 C16 H16A 109.0 . .
C15 C16 H16A 108.5 . .
C17 C16 H16B 108.8 . .
C15 C16 H16B 108.8 . .
H16A C16 H16B 107.7 . .
C16 C17 H17A 109.6 . .
C16 C17 H17B 109.3 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O9 C18 C19 123.2(14) . .
O9 C18 H18 118.4 . .
C19 C18 H18 118.4 . .
C24 C19 C20 119.9(12) . .
C24 C19 C18 120.3(13) . .
C20 C19 C18 119.8(12) . .
O8 C20 C21 125.2(12) . .
O8 C20 C19 115.7(11) . .
C21 C20 C19 119.0(12) . .
C20 C21 C22 119.0(14) . .
C20 C21 H21 120.5 . .
C22 C21 H21 120.5 . .
C23 C22 C21 122.1(15) . .
C23 C22 H22 119.0 . .
C21 C22 H22 118.9 . .
C24 C23 C22 117.8(16) . .
C24 C23 H23 121.1 . .
C22 C23 H23 121.1 . .
C23 C24 C19 121.8(15) . .
C23 C24 H24 119.1 . .
C19 C24 H24 119.1 . .
O8 C25 C26 111.6(8) . .
O8 C25 H25A 109.3 . .
C26 C25 H25A 109.3 . .
O8 C25 H25B 109.3 . .
C26 C25 H25B 109.3 . .
H25A C25 H25B 108.0 . .
O6 C26 O5 123.3(9) . .
O6 C26 C25 122.9(8) . .
O5 C26 C25 113.7(8) . .
C28 C27 Sn2 114.9(7) . .
C28 C27 H27A 108.6 . .
Sn2 C27 H27A 108.5 . .
C28 C27 H27B 108.6 . .
Sn2 C27 H27B 108.6 . .
H27A C27 H27B 107.5 . .
C29 C28 C27 110.6(10) . .
C29 C28 H28A 109.5 . .
C27 C28 H28A 109.5 . .
C29 C28 H28B 109.6 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 108.1 . .
C30 C29 C28 115.3(12) . .
C30 C29 H29A 108.3 . .
C28 C29 H29A 108.4 . .
C30 C29 H29B 108.6 . .
C28 C29 H29B 108.5 . .
H29A C29 H29B 107.5 . .
C29 C30 H30A 109.3 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 Sn2 117.7(9) . .
C32 C31 H31A 107.9 . .
Sn2 C31 H31A 107.9 . .
C32 C31 H31B 107.8 . .
Sn2 C31 H31B 107.9 . .
H31A C31 H31B 107.2 . .
C31 C32 C33 113.6(11) . .
C31 C32 H32A 108.8 . .
C33 C32 H32A 108.8 . .
C31 C32 H32B 108.9 . .
C33 C32 H32B 108.9 . .
H32A C32 H32B 107.7 . .
C34 C33 C32 114.1(12) . .
C34 C33 H33A 108.7 . .
C32 C33 H33A 108.8 . .
C34 C33 H33B 108.8 . .
C32 C33 H33B 108.7 . .
H33A C33 H33B 107.6 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O2 2.049(5) .
Sn1 C10 2.108(9) .
Sn1 C14 2.110(12) .
Sn1 O2 2.184(6) 2_756
Sn1 O1 2.296(6) .
Sn2 O2 2.041(5) 2_766
Sn2 C31 2.108(11) .
Sn2 C27 2.117(10) .
Sn2 O5 2.200(6) .
Sn2 O7 2.291(7) .
O1 C9 1.285(9) .
O2 Sn2 2.041(5) 2_766
O2 Sn1 2.184(6) 2_756
O3 C3 1.393(13) .
O3 C8 1.432(10) .
O5 C26 1.304(9) .
O6 C26 1.202(10) .
O7 C9 1.233(10) 2_766
O8 C20 1.355(13) .
O8 C25 1.448(12) .
O4 C1 1.229(15) .
C1 C2 1.463(18) .
C1 H1 0.9300 .
C2 C3 1.372(15) .
C2 C7 1.401(19) .
C3 C4 1.371(18) .
C4 C5 1.39(2) .
C4 H4 0.9300 .
C5 C6 1.32(2) .
C5 H5 0.9300 .
C6 C7 1.34(2) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.490(12) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O7 1.233(10) 2_766
C10 C11 1.511(12) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.548(13) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.500(14) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.451(15) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.540(15) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.474(16) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
O9 C18 1.218(14) .
C18 C19 1.449(17) .
C18 H18 0.9300 .
C19 C24 1.378(17) .
C19 C20 1.399(16) .
C20 C21 1.378(16) .
C21 C22 1.39(2) .
C21 H21 0.9300 .
C22 C23 1.38(2) .
C22 H22 0.9300 .
C23 C24 1.356(19) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.523(13) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C27 C28 1.549(13) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.508(13) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.457(14) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.474(13) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.541(14) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.483(14) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
