#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/84/2208491.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_2208491
loop_
_publ_author_name
Sadiq-ur-Rehman
'Ali, Saqib'
'Shahzadi, Saira'
'Parvez, Masood'
_publ_section_title
Di-n-butylbis[(E)-2-(4-chlorophenyl)-3-(3-fluorophenyl)prop-2-enoato-κ²O,O]tin(IV)
_journal_coeditor_code           AT2022
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m910
_journal_page_last               m911
_journal_paper_doi               10.1107/S1600536806010968
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C15 H9 O2 Cl F)2 (C4 H9)2]'
_chemical_formula_moiety         'C38 H36 Cl2 F2 O4 Sn'
_chemical_formula_sum            'C38 H36 Cl2 F2 O4 Sn'
_chemical_formula_weight         784.26
_chemical_name_systematic
Di-n-butylbis[(E)-3-(3-fluorophenyl)-2-(4-chlorophenyl)-2-propenoato-O,O]tin(IV)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.470(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.252(2)
_cell_length_b                   11.886(2)
_cell_length_c                   26.932(4)
_cell_measurement_reflns_used    15031
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     3571.4(10)
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       'ω and φ'
_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  0.047
_diffrn_reflns_av_sigmaI/netI    0.077
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            15031
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.5
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.92
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         8137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.00
_refine_ls_R_factor_all          0.081
_refine_ls_R_factor_gt           0.039
_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)+(0.0335P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.073
_refine_ls_wR_factor_ref         0.085
_reflns_number_gt                5376
_reflns_number_total             8137
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            at2022.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2208491
_cod_database_fobs_code          2208491
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Sn Sn1 -0.043169(18) 0.717013(15) 0.201251(8) 0.02897(8) Uani d . 1
Cl Cl1 -0.65384(8) 1.17998(10) 0.06139(4) 0.0725(3) Uani d . 1
Cl Cl2 0.53597(10) 0.66065(8) 0.03072(4) 0.0686(3) Uani d . 1
O O1 -0.03387(18) 0.84165(16) 0.14708(7) 0.0363(5) Uani d . 1
O O2 -0.22118(18) 0.84994(15) 0.16323(7) 0.0350(5) Uani d . 1
O O3 0.12335(17) 0.67579(15) 0.17760(7) 0.0331(5) Uani d . 1
O O4 0.10548(18) 0.58228(15) 0.24650(8) 0.0378(5) Uani d . 1
C C1 -0.1565(3) 0.5850(2) 0.17261(12) 0.0413(8) Uani d . 1
H H1A -0.1439 0.5200 0.1957 0.050 Uiso calc R 1
H H1B -0.2408 0.6096 0.1717 0.050 Uiso calc R 1
C C2 -0.1368(4) 0.5482(3) 0.12183(14) 0.0730(13) Uani d . 1
H H2A -0.0519 0.5255 0.1227 0.088 Uiso calc R 1
H H2B -0.1508 0.6131 0.0988 0.088 Uiso calc R 1
C C3 -0.2162(4) 0.4511(3) 0.10081(15) 0.0760(13) Uani d . 1
H H3A -0.2036 0.3868 0.1243 0.091 Uiso calc R 1
H H3B -0.3011 0.4745 0.0992 0.091 Uiso calc R 1
C C4 -0.1950(6) 0.4142(4) 0.05216(17) 0.115(2) Uani d . 1
H H4A -0.2496 0.3522 0.0412 0.172 Uiso calc R 1
H H4B -0.1119 0.3882 0.0536 0.172 Uiso calc R 1
H H4C -0.2088 0.4768 0.0284 0.172 Uiso calc R 1
C C5 -0.0239(3) 0.8096(2) 0.26866(12) 0.0403(8) Uani d . 1
H H5A 0.0568 0.8443 0.2733 0.048 Uiso calc R 1
H H5B -0.0834 0.8713 0.2654 0.048 Uiso calc R 1
C C6 -0.0395(3) 0.7412(3) 0.31580(13) 0.0497(9) Uani d . 1
H H6A 0.0319 0.6929 0.3243 0.060 Uiso calc R 1
H H6B -0.0431 0.7939 0.3440 0.060 Uiso calc R 1
C C7 -0.1502(3) 0.6675(3) 0.31079(13) 0.0520(10) Uani d . 1
H H7A -0.1538 0.6284 0.3430 0.062 Uiso calc R 1
H H7B -0.1426 0.6094 0.2851 0.062 Uiso calc R 1
C C8 -0.2669(4) 0.7307(3) 0.29665(17) 0.0687(12) Uani d . 1
H H8A -0.3340 0.6775 0.2935 0.103 Uiso calc R 1
H H8B -0.2648 0.7693 0.2646 0.103 Uiso calc R 1
H H8C -0.2773 0.7862 0.3227 0.103 Uiso calc R 1
C C9 -0.1406(3) 0.8853(2) 0.13991(11) 0.0306(7) Uani d . 1
C C10 -0.1630(3) 0.9776(2) 0.10204(10) 0.0289(7) Uani d . 1
C C11 -0.0732(3) 1.0126(2) 0.07783(11) 0.0334(7) Uani d . 1
H H11 0.0029 0.9797 0.0883 0.040 Uiso calc R 1
C C12 -0.2858(3) 1.0252(2) 0.09375(10) 0.0286(7) Uani d . 1
C C13 -0.3832(3) 0.9628(2) 0.07179(10) 0.0334(7) Uani d . 1
H H13 -0.3719 0.8863 0.0633 0.040 Uiso calc R 1
C C14 -0.4952(3) 1.0092(3) 0.06210(11) 0.0426(8) Uani d . 1
H H14 -0.5608 0.9653 0.0472 0.051 Uiso calc R 1
C C15 -0.5116(3) 1.1208(3) 0.07431(12) 0.0423(8) Uani d . 1
C C16 -0.4190(3) 1.1840(3) 0.09672(13) 0.0449(9) Uani d . 1
H H16 -0.4318 1.2601 0.1054 0.054 Uiso calc R 1
C C17 -0.3059(3) 1.1367(2) 0.10677(11) 0.0375(8) Uani d . 1
H H17 -0.2414 1.1806 0.1227 0.045 Uiso calc R 1
C C18 -0.0774(3) 1.0960(2) 0.03678(11) 0.0329(7) Uani d . 1
C C19 -0.1760(3) 1.1089(3) 0.00074(11) 0.0408(8) Uani d . 1
H H19 -0.2463 1.0659 0.0029 0.049 Uiso calc R 1
C C20 -0.1732(3) 1.1842(3) -0.03858(13) 0.0448(8) Uani d . 1
H H20 -0.2416 1.1914 -0.0631 0.054 Uiso calc R 1
C C21 -0.0734(4) 1.2483(3) -0.04262(14) 0.0509(10) Uani d . 1
H H21 -0.0715 1.3006 -0.0692 0.061 Uiso calc PR 0.934(5)
C C22 0.0227(4) 1.2338(3) -0.00684(16) 0.0614(11) Uani d . 1
H H22 0.0923 1.2779 -0.0089 0.074 Uiso calc PR 0.066(5)
C C23 0.0244(3) 1.1586(3) 0.03215(13) 0.0491(9) Uani d . 1
H H23 0.0945 1.1497 0.0556 0.059 Uiso calc R 1
C C24 0.1670(3) 0.6071(2) 0.21278(11) 0.0314(7) Uani d . 1
C C25 0.2903(3) 0.5637(2) 0.21139(10) 0.0270(7) Uani d . 1
C C26 0.3440(3) 0.5130(2) 0.25274(11) 0.0297(7) Uani d . 1
H H26 0.2963 0.5048 0.2792 0.036 Uiso calc R 1
C C27 0.3506(3) 0.5885(2) 0.16612(10) 0.0288(7) Uani d . 1
C C28 0.3113(3) 0.5388(3) 0.12052(11) 0.0415(8) Uani d . 1
H H28 0.2440 0.4899 0.1176 0.050 Uiso calc R 1
C C29 0.3688(3) 0.5593(3) 0.07907(12) 0.0481(9) Uani d . 1
H H29 0.3423 0.5240 0.0480 0.058 Uiso calc R 1
C C30 0.4653(3) 0.6319(2) 0.08353(12) 0.0426(9) Uani d . 1
C C31 0.5058(3) 0.6834(2) 0.12803(12) 0.0372(8) Uani d . 1
H H31 0.5718 0.7338 0.1305 0.045 Uiso calc R 1
C C32 0.4481(3) 0.6605(2) 0.16933(11) 0.0312(7) Uani d . 1
H H32 0.4761 0.6948 0.2005 0.037 Uiso calc R 1
C C33 0.4664(3) 0.4683(2) 0.26283(11) 0.0286(7) Uani d . 1
C C34 0.5295(3) 0.4201(2) 0.22683(11) 0.0341(7) Uani d . 1
H H34 0.4936 0.4132 0.1930 0.041 Uiso calc R 1
C C35 0.6439(3) 0.3828(2) 0.24108(13) 0.0387(8) Uani d . 1
H H35 0.6854 0.3486 0.2165 0.046 Uiso calc PR 0.066(5)
C C36 0.7020(3) 0.3922(2) 0.28900(13) 0.0427(8) Uani d . 1
H H36 0.7824 0.3673 0.2974 0.051 Uiso calc R 1
C C37 0.6389(3) 0.4391(3) 0.32425(13) 0.0460(9) Uani d . 1
H H37 0.6766 0.4476 0.3577 0.055 Uiso calc PR 0.934(5)
C C38 0.5221(3) 0.4740(2) 0.31186(11) 0.0365(8) Uani d . 1
H H38 0.4791 0.5025 0.3373 0.044 Uiso calc R 1
F F1 0.1228(2) 1.2950(2) -0.00998(12) 0.1131(14) Uani d P 0.934(5)
F F1' -0.251(3) 1.188(3) -0.0698(13) 0.070(13) Uiso d P 0.066(5)
F F2 0.7038(2) 0.33224(18) 0.20717(9) 0.0561(9) Uani d P 0.859(5)
F F2' 0.7036(15) 0.4453(12) 0.3675(6) 0.067(6) Uiso d P 0.141(5)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_publ_flag
O1 Sn1 C1 110.82(11) y
O1 Sn1 C5 102.83(10) y
C1 Sn1 C5 133.95(12) y
O1 Sn1 O3 80.05(7) y
C1 Sn1 O3 103.61(10) y
C5 Sn1 O3 112.59(11) y
O1 Sn1 O4 134.35(7) y
C1 Sn1 O4 92.06(10) y
C5 Sn1 O4 85.84(10) y
O3 Sn1 O4 55.82(7) y
O1 Sn1 O2 53.99(7) y
C1 Sn1 O2 84.92(10) y
C5 Sn1 O2 90.56(10) y
O3 Sn1 O2 132.60(7) y
O4 Sn1 O2 171.52(6) y
C9 O1 Sn1 104.89(16) y
C9 O2 Sn1 80.33(17) y
C24 O3 Sn1 101.06(16) y
C24 O4 Sn1 83.88(17) y
C2 C1 Sn1 113.7(2) ?
C2 C1 H1A 108.8 ?
Sn1 C1 H1A 108.8 ?
C2 C1 H1B 108.8 ?
Sn1 C1 H1B 108.8 ?
H1A C1 H1B 107.7 ?
C1 C2 C3 114.6(3) ?
C1 C2 H2A 108.6 ?
C3 C2 H2A 108.6 ?
C1 C2 H2B 108.6 ?
C3 C2 H2B 108.6 ?
H2A C2 H2B 107.6 ?
C4 C3 C2 114.4(4) ?
C4 C3 H3A 108.7 ?
C2 C3 H3A 108.7 ?
C4 C3 H3B 108.7 ?
C2 C3 H3B 108.7 ?
H3A C3 H3B 107.6 ?
C3 C4 H4A 109.5 ?
C3 C4 H4B 109.5 ?
H4A C4 H4B 109.5 ?
C3 C4 H4C 109.5 ?
H4A C4 H4C 109.5 ?
H4B C4 H4C 109.5 ?
C6 C5 Sn1 115.2(2) ?
C6 C5 H5A 108.5 ?
Sn1 C5 H5A 108.5 ?
C6 C5 H5B 108.5 ?
Sn1 C5 H5B 108.5 ?
H5A C5 H5B 107.5 ?
C7 C6 C5 114.4(3) ?
C7 C6 H6A 108.7 ?
C5 C6 H6A 108.7 ?
C7 C6 H6B 108.7 ?
C5 C6 H6B 108.7 ?
H6A C6 H6B 107.6 ?
C6 C7 C8 114.3(3) ?
C6 C7 H7A 108.7 ?
C8 C7 H7A 108.7 ?
C6 C7 H7B 108.7 ?
C8 C7 H7B 108.7 ?
H7A C7 H7B 107.6 ?
C7 C8 H8A 109.5 ?
C7 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
C7 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
O2 C9 O1 120.8(3) ?
O2 C9 C10 121.5(3) ?
O1 C9 C10 117.7(2) ?
C11 C10 C12 123.8(2) ?
C11 C10 C9 119.3(3) ?
C12 C10 C9 116.9(2) ?
C10 C11 C18 128.2(3) ?
C10 C11 H11 115.9 ?
C18 C11 H11 115.9 ?
C13 C12 C17 117.9(3) ?
C13 C12 C10 121.9(3) ?
C17 C12 C10 120.1(3) ?
C14 C13 C12 121.4(3) ?
C14 C13 H13 119.3 ?
C12 C13 H13 119.3 ?
C13 C14 C15 119.3(3) ?
C13 C14 H14 120.4 ?
C15 C14 H14 120.4 ?
C16 C15 C14 121.1(3) ?
C16 C15 Cl1 119.7(3) ?
C14 C15 Cl1 119.2(3) ?
C15 C16 C17 119.6(3) ?
C15 C16 H16 120.2 ?
C17 C16 H16 120.2 ?
C16 C17 C12 120.7(3) ?
C16 C17 H17 119.6 ?
C12 C17 H17 119.6 ?
C19 C18 C23 118.3(3) ?
C19 C18 C11 122.9(3) ?
C23 C18 C11 118.7(3) ?
C18 C19 C20 120.7(3) ?
C18 C19 H19 119.6 ?
C20 C19 H19 119.6 ?
C21 C20 C19 121.2(4) ?
C21 C20 H20 119.4 ?
C19 C20 H20 119.4 ?
C22 C21 C20 117.1(3) ?
C22 C21 H21 121.5 ?
C20 C21 H21 121.5 ?
C21 C22 C23 123.5(3) ?
C21 C22 H22 118.2 ?
C23 C22 H22 118.2 ?
C22 C23 C18 119.2(3) ?
C22 C23 H23 120.4 ?
C18 C23 H23 120.4 ?
O4 C24 O3 119.2(3) ?
O4 C24 C25 123.0(3) ?
O3 C24 C25 117.8(2) ?
C26 C25 C24 117.2(2) ?
C26 C25 C27 124.2(3) ?
C24 C25 C27 118.4(2) ?
C25 C26 C33 128.9(3) ?
C25 C26 H26 115.6 ?
C33 C26 H26 115.6 ?
C28 C27 C32 118.6(3) ?
C28 C27 C25 120.8(3) ?
C32 C27 C25 120.6(3) ?
C27 C28 C29 120.9(3) ?
C27 C28 H28 119.6 ?
C29 C28 H28 119.6 ?
C30 C29 C28 119.0(3) ?
C30 C29 H29 120.5 ?
C28 C29 H29 120.5 ?
C31 C30 C29 121.6(3) ?
C31 C30 Cl2 119.2(3) ?
C29 C30 Cl2 119.1(3) ?
C30 C31 C32 118.5(3) ?
C30 C31 H31 120.8 ?
C32 C31 H31 120.8 ?
C27 C32 C31 121.4(3) ?
C27 C32 H32 119.3 ?
C31 C32 H32 119.3 ?
C38 C33 C34 118.2(3) ?
C38 C33 C26 117.1(3) ?
C34 C33 C26 124.7(3) ?
C35 C34 C33 118.9(3) ?
C35 C34 H34 120.6 ?
C33 C34 H34 120.6 ?
C34 C35 C36 123.6(3) ?
C34 C35 H35 118.2 ?
C36 C35 H35 118.2 ?
C35 C36 C37 117.1(3) ?
C35 C36 H36 121.4 ?
C37 C36 H36 121.4 ?
C36 C37 C38 121.1(3) ?
C36 C37 H37 119.4 ?
C38 C37 H37 119.4 ?
C37 C38 C33 121.0(3) ?
C37 C38 H38 119.5 ?
C33 C38 H38 119.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 O1 2.0914(18) y
Sn1 C1 2.104(3) y
Sn1 C5 2.110(3) y
Sn1 O3 2.1134(19) y
Sn1 O4 2.513(2) y
Sn1 O2 2.650(2) y
Cl1 C15 1.742(3) y
Cl2 C30 1.751(3) y
O1 C9 1.299(3) y
O2 C9 1.241(3) y
O3 C24 1.298(3) y
O4 C24 1.247(3) y
C1 C2 1.480(5) ?
C1 H1A 0.9900 ?
C1 H1B 0.9900 ?
C2 C3 1.523(5) ?
C2 H2A 0.9900 ?
C2 H2B 0.9900 ?
C3 C4 1.431(5) ?
C3 H3A 0.9900 ?
C3 H3B 0.9900 ?
C4 H4A 0.9800 ?
C4 H4B 0.9800 ?
C4 H4C 0.9800 ?
C5 C6 1.537(4) ?
C5 H5A 0.9900 ?
C5 H5B 0.9900 ?
C6 C7 1.514(5) ?
C6 H6A 0.9900 ?
C6 H6B 0.9900 ?
C7 C8 1.517(5) ?
C7 H7A 0.9900 ?
C7 H7B 0.9900 ?
C8 H8A 0.9800 ?
C8 H8B 0.9800 ?
C8 H8C 0.9800 ?
C9 C10 1.498(4) ?
C10 C11 1.337(4) ?
C10 C12 1.483(4) ?
C11 C18 1.481(4) ?
C11 H11 0.9500 ?
C12 C13 1.390(4) ?
C12 C17 1.397(4) ?
C13 C14 1.368(4) ?
C13 H13 0.9500 ?
C14 C15 1.385(4) ?
C14 H14 0.9500 ?
C15 C16 1.361(5) ?
C16 C17 1.385(4) ?
C16 H16 0.9500 ?
C17 H17 0.9500 ?
C18 C19 1.384(4) ?
C18 C23 1.385(4) ?
C19 C20 1.390(4) ?
C19 H19 0.9500 ?
C20 C21 1.373(5) ?
C20 H20 0.9500 ?
C21 C22 1.363(5) ?
C21 H21 0.9500 ?
C22 C23 1.377(5) ?
C22 H22 0.9500 ?
C23 H23 0.9500 ?
C24 C25 1.485(4) ?
C25 C26 1.339(4) ?
C25 C27 1.500(4) ?
C26 C33 1.468(4) ?
C26 H26 0.9500 ?
C27 C28 1.382(4) ?
C27 C32 1.385(4) ?
C28 C29 1.383(4) ?
C28 H28 0.9500 ?
C29 C30 1.379(4) ?
C29 H29 0.9500 ?
C30 C31 1.370(4) ?
C31 C32 1.386(4) ?
C31 H31 0.9500 ?
C32 H32 0.9500 ?
C33 C38 1.388(4) ?
C33 C34 1.397(4) ?
C34 C35 1.369(4) ?
C34 H34 0.9500 ?
C35 C36 1.373(5) ?
C35 H35 0.9500 ?
C36 C37 1.375(4) ?
C36 H36 0.9500 ?
C37 C38 1.378(4) ?
C37 H37 0.9500 ?
C38 H38 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
C1 Sn1 O1 C9 67.0(2)
C5 Sn1 O1 C9 -81.0(2)
O3 Sn1 O1 C9 167.90(18)
O4 Sn1 O1 C9 -177.80(15)
O2 Sn1 O1 C9 0.19(16)
O1 Sn1 O2 C9 -0.19(16)
C1 Sn1 O2 C9 -120.58(18)
C5 Sn1 O2 C9 105.32(18)
O3 Sn1 O2 C9 -16.74(19)
O1 Sn1 O3 C24 166.40(17)
C1 Sn1 O3 C24 -84.41(19)
C5 Sn1 O3 C24 66.54(19)
O4 Sn1 O3 C24 -1.28(15)
O2 Sn1 O3 C24 179.92(15)
O1 Sn1 O4 C24 -15.8(2)
C1 Sn1 O4 C24 106.40(18)
C5 Sn1 O4 C24 -119.68(18)
O3 Sn1 O4 C24 1.32(16)
O1 Sn1 C1 C2 44.9(3)
C5 Sn1 C1 C2 179.1(3)
O3 Sn1 C1 C2 -39.4(3)
O4 Sn1 C1 C2 -94.7(3)
O2 Sn1 C1 C2 93.2(3)
Sn1 C1 C2 C3 178.8(3)
C1 C2 C3 C4 -178.7(4)
O1 Sn1 C5 C6 174.2(2)
C1 Sn1 C5 C6 37.7(3)
O3 Sn1 C5 C6 -101.3(2)
O4 Sn1 C5 C6 -51.2(2)
O2 Sn1 C5 C6 121.2(2)
Sn1 C5 C6 C7 -48.6(4)
C5 C6 C7 C8 -57.1(4)
Sn1 O2 C9 O1 0.3(2)
Sn1 O2 C9 C10 179.2(3)
Sn1 O1 C9 O2 -0.4(3)
Sn1 O1 C9 C10 -179.31(19)
O2 C9 C10 C11 -179.9(3)
O1 C9 C10 C11 -1.0(4)
O2 C9 C10 C12 0.1(4)
O1 C9 C10 C12 179.0(2)
C12 C10 C11 C18 -4.8(5)
C9 C10 C11 C18 175.2(3)
C11 C10 C12 C13 112.3(3)
C9 C10 C12 C13 -67.7(4)
C11 C10 C12 C17 -65.8(4)
C9 C10 C12 C17 114.2(3)
C17 C12 C13 C14 1.4(4)
C10 C12 C13 C14 -176.8(3)
C12 C13 C14 C15 0.2(4)
C13 C14 C15 C16 -1.4(4)
C13 C14 C15 Cl1 179.4(2)
C14 C15 C16 C17 1.1(5)
Cl1 C15 C16 C17 -179.8(2)
C15 C16 C17 C12 0.6(5)
C13 C12 C17 C16 -1.8(4)
C10 C12 C17 C16 176.4(3)
C10 C11 C18 C19 -34.1(5)
C10 C11 C18 C23 150.4(3)
C23 C18 C19 C20 -1.0(5)
C11 C18 C19 C20 -176.5(3)
C18 C19 C20 C21 -0.5(5)
C19 C20 C21 C22 0.8(5)
C20 C21 C22 C23 0.5(6)
C21 C22 C23 C18 -2.0(6)
C19 C18 C23 C22 2.2(5)
C11 C18 C23 C22 177.9(3)
Sn1 O4 C24 O3 -2.0(2)
Sn1 O4 C24 C25 176.5(3)
Sn1 O3 C24 O4 2.5(3)
Sn1 O3 C24 C25 -176.1(2)
O4 C24 C25 C26 -12.3(4)
O3 C24 C25 C26 166.2(2)
O4 C24 C25 C27 173.2(3)
O3 C24 C25 C27 -8.3(4)
C24 C25 C26 C33 -176.3(3)
C27 C25 C26 C33 -2.1(5)
C26 C25 C27 C28 116.4(3)
C24 C25 C27 C28 -69.5(3)
C26 C25 C27 C32 -62.6(4)
C24 C25 C27 C32 111.5(3)
C32 C27 C28 C29 0.7(5)
C25 C27 C28 C29 -178.3(3)
C27 C28 C29 C30 -1.0(5)
C28 C29 C30 C31 0.4(5)
C28 C29 C30 Cl2 -178.5(2)
C29 C30 C31 C32 0.6(5)
Cl2 C30 C31 C32 179.4(2)
C28 C27 C32 C31 0.3(4)
C25 C27 C32 C31 179.3(3)
C30 C31 C32 C27 -1.0(4)
C25 C26 C33 C38 147.1(3)
C25 C26 C33 C34 -33.4(5)
C38 C33 C34 C35 -1.3(4)
C26 C33 C34 C35 179.2(3)
C33 C34 C35 C36 -1.4(4)
C34 C35 C36 C37 1.8(5)
C35 C36 C37 C38 0.6(5)
C36 C37 C38 C33 -3.4(5)
C34 C33 C38 C37 3.7(4)
C26 C33 C38 C37 -176.8(3)
