#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/00/2230001.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_2230001
loop_
_publ_author_name
'Kamaludin, Nurul Farahana'
'Baba, Ibrahim'
'Awang, Normah'
'Mohamed Tahir, Mohamed Ibrahim'
'Tiekink, Edward R. T.'
_publ_section_title
;
 (N-Butyl-N-phenyldithiocarbamato-κS)triphenyltin(IV)
;
_journal_coeditor_code           HB5836
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m555
_journal_page_last               m556
_journal_paper_doi               10.1107/S1600536811012426
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C6 H5)3 (C11 H14 N S2)]'
_chemical_formula_moiety         'C29 H29 N S2 Sn'
_chemical_formula_sum            'C29 H29 N S2 Sn'
_chemical_formula_weight         574.34
_chemical_name_systematic
;
(N-Butyl-N-phenyldithiocarbamato-κS)triphenyltin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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
_cell_angle_beta                 102.4420(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.04880(10)
_cell_length_b                   18.0008(2)
_cell_length_c                   15.2054(2)
_cell_measurement_reflns_used    18395
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      2
_cell_volume                     2685.86(5)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1952
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Oxford Diffraction Xcaliber Eos Gemini'
_diffrn_measurement_method       ω
_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  0.044
_diffrn_reflns_av_sigmaI/netI    0.028
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34109
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2010)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         6099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_gt           0.024
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0284P)²+0.6995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.056
_refine_ls_wR_factor_ref         0.060
_reflns_number_gt                5277
_reflns_number_total             6099
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5836.cif
_cod_data_source_block           I
_cod_original_cell_volume        2685.85(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230001
_cod_database_fobs_code          2230001
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_disorder_assembly
_atom_site_disorder_group
Sn Sn 0.636843(12) 0.514323(7) 0.706567(8) 0.02366(5) Uani d . 1 . .
S S1 0.74819(5) 0.56428(3) 0.85614(3) 0.03110(11) Uani d . 1 . .
S S2 0.60687(5) 0.42144(3) 0.87326(3) 0.03087(11) Uani d . 1 . .
N N1 0.72072(18) 0.50776(9) 1.01112(11) 0.0316(4) Uani d . 1 . .
C C1 0.6917(2) 0.49591(10) 0.92221(13) 0.0280(4) Uani d . 1 . .
C C2 0.6806(2) 0.45399(12) 1.07424(13) 0.0366(5) Uani d . 1 . .
H H2A 0.5941 0.4299 1.0445 0.044 Uiso calc R 1 . .
H H2B 0.6642 0.4811 1.1276 0.044 Uiso calc R 1 . .
C C3 0.7875(2) 0.39454(12) 1.10512(14) 0.0392(5) Uani d . 1 . .
H H3A 0.8713 0.4180 1.1404 0.047 Uiso calc R 1 . .
H H3B 0.8106 0.3705 1.0518 0.047 Uiso calc R 1 . .
C C4 0.7378(3) 0.33576(13) 1.16269(15) 0.0471(6) Uani d . 1 . .
H H4A 0.6524 0.3135 1.1280 0.057 Uiso calc R 1 . .
H H4B 0.7172 0.3597 1.2168 0.057 Uiso calc R 1 . .
C C5 0.8423(3) 0.27455(16) 1.19190(19) 0.0671(8) Uani d . 1 . .
H H5A 0.8668 0.2525 1.1386 0.101 Uiso calc R 1 . .
H H5B 0.8035 0.2362 1.2247 0.101 Uiso calc R 1 . .
H H5C 0.9239 0.2955 1.2312 0.101 Uiso calc R 1 . .
C C6 0.7940(2) 0.57343(12) 1.05062(13) 0.0338(5) Uani d . 1 . .
C C7 0.7210(2) 0.63472(12) 1.06800(14) 0.0365(5) Uani d . 1 . .
H H7 0.6242 0.6337 1.0544 0.044 Uiso calc R 1 . .
C C8 0.7902(3) 0.69796(13) 1.10562(15) 0.0442(5) Uani d . 1 . .
H H8 0.7407 0.7403 1.1178 0.053 Uiso calc R 1 . .
C C9 0.9303(3) 0.69916(15) 1.12510(15) 0.0518(6) Uani d . 1 . .
H H9 0.9775 0.7427 1.1498 0.062 Uiso calc R 1 . .
C C10 1.0025(3) 0.63747(16) 1.10886(17) 0.0578(7) Uani d . 1 . .
H H10 1.0993 0.6384 1.1228 0.069 Uiso calc R 1 . .
C C11 0.9344(2) 0.57402(15) 1.07221(15) 0.0485(6) Uani d . 1 . .
H H11 0.9842 0.5312 1.0620 0.058 Uiso calc R 1 . .
C C12 0.71232(19) 0.41209(10) 0.66655(12) 0.0258(4) Uani d . 1 . .
C C13 0.8499(2) 0.40110(12) 0.67362(15) 0.0377(5) Uani d . 1 . .
H H13 0.9118 0.4400 0.6962 0.045 Uiso calc R 1 . .
C C14 0.8999(2) 0.33402(12) 0.64823(16) 0.0442(5) Uani d . 1 . .
H H14 0.9952 0.3274 0.6540 0.053 Uiso calc R 1 . .
C C15 0.8124(3) 0.27783(12) 0.61507(15) 0.0421(5) Uani d . 1 . .
H H15 0.8465 0.2319 0.5986 0.050 Uiso calc R 1 . .
C C16 0.6745(3) 0.28803(12) 0.60564(17) 0.0498(6) Uani d . 1 . .
H H16 0.6132 0.2494 0.5811 0.060 Uiso calc R 1 . .
C C17 0.6240(2) 0.35448(12) 0.63171(15) 0.0404(5) Uani d . 1 . .
H H17 0.5285 0.3607 0.6257 0.048 Uiso calc R 1 . .
C C18 0.41962(19) 0.52313(10) 0.67250(13) 0.0263(4) Uani d . 1 . .
C C19 0.3332(2) 0.47347(11) 0.70304(14) 0.0329(4) Uani d . 1 . .
H H19 0.3709 0.4336 0.7413 0.039 Uiso calc R 1 . .
C C20 0.1932(2) 0.48155(13) 0.67828(17) 0.0439(6) Uani d . 1 . .
H H20 0.1357 0.4477 0.7004 0.053 Uiso calc R 1 . .
C C21 0.1365(2) 0.53874(15) 0.62151(17) 0.0489(6) Uani d . 1 . .
H H21 0.0403 0.5446 0.6052 0.059 Uiso calc R 1 . .
C C22 0.2205(2) 0.58712(13) 0.58878(15) 0.0426(5) Uani d . 1 . .
H H22 0.1819 0.6256 0.5485 0.051 Uiso calc R 1 . .
C C23 0.3614(2) 0.57999(11) 0.61427(13) 0.0328(4) Uani d . 1 . .
H H23 0.4184 0.6140 0.5919 0.039 Uiso calc R 1 . .
C C24 0.71761(18) 0.60219(10) 0.63749(12) 0.0260(4) Uani d . 1 . .
C C25 0.7478(2) 0.59142(12) 0.55345(14) 0.0388(5) Uani d . 1 . .
H H25 0.7282 0.5450 0.5238 0.047 Uiso calc R 1 . .
C C26 0.8063(3) 0.64789(14) 0.51222(16) 0.0510(6) Uani d . 1 . .
H H26 0.8271 0.6395 0.4550 0.061 Uiso calc R 1 . .
C C27 0.8344(2) 0.71606(13) 0.55379(16) 0.0472(6) Uani d . 1 . .
H H27 0.8737 0.7546 0.5252 0.057 Uiso calc R 1 . .
C C28 0.8049(3) 0.72759(12) 0.63682(16) 0.0455(6) Uani d . 1 . .
H H28 0.8242 0.7743 0.6659 0.055 Uiso calc R 1 . .
C C29 0.7472(2) 0.67142(11) 0.67806(14) 0.0383(5) Uani d . 1 . .
H H29 0.7272 0.6802 0.7355 0.046 Uiso calc R 1 . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
C12 Sn C18 . . 113.76(7) y
C12 Sn C24 . . 107.51(7) y
C18 Sn C24 . . 107.45(7) y
C12 Sn S1 . . 117.26(5) y
C18 Sn S1 . . 115.54(5) y
C24 Sn S1 . . 92.18(5) y
C1 S1 Sn . . 97.64(7) ?
C1 N1 C6 . . 121.91(17) ?
C1 N1 C2 . . 121.41(18) ?
C6 N1 C2 . . 116.68(16) ?
N1 C1 S2 . . 123.79(16) ?
N1 C1 S1 . . 116.04(15) ?
S2 C1 S1 . . 120.16(12) ?
N1 C2 C3 . . 112.88(17) ?
N1 C2 H2A . . 109.0 ?
C3 C2 H2A . . 109.0 ?
N1 C2 H2B . . 109.0 ?
C3 C2 H2B . . 109.0 ?
H2A C2 H2B . . 107.8 ?
C2 C3 C4 . . 111.70(18) ?
C2 C3 H3A . . 109.3 ?
C4 C3 H3A . . 109.3 ?
C2 C3 H3B . . 109.3 ?
C4 C3 H3B . . 109.3 ?
H3A C3 H3B . . 107.9 ?
C3 C4 C5 . . 112.3(2) ?
C3 C4 H4A . . 109.1 ?
C5 C4 H4A . . 109.1 ?
C3 C4 H4B . . 109.1 ?
C5 C4 H4B . . 109.1 ?
H4A C4 H4B . . 107.9 ?
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 ?
C11 C6 C7 . . 120.5(2) ?
C11 C6 N1 . . 120.44(19) ?
C7 C6 N1 . . 119.07(19) ?
C6 C7 C8 . . 119.5(2) ?
C6 C7 H7 . . 120.2 ?
C8 C7 H7 . . 120.2 ?
C9 C8 C7 . . 120.0(2) ?
C9 C8 H8 . . 120.0 ?
C7 C8 H8 . . 120.0 ?
C8 C9 C10 . . 120.2(2) ?
C8 C9 H9 . . 119.9 ?
C10 C9 H9 . . 119.9 ?
C9 C10 C11 . . 120.2(2) ?
C9 C10 H10 . . 119.9 ?
C11 C10 H10 . . 119.9 ?
C6 C11 C10 . . 119.6(2) ?
C6 C11 H11 . . 120.2 ?
C10 C11 H11 . . 120.2 ?
C13 C12 C17 . . 118.00(18) ?
C13 C12 Sn . . 121.01(14) ?
C17 C12 Sn . . 120.99(15) ?
C12 C13 C14 . . 121.2(2) ?
C12 C13 H13 . . 119.4 ?
C14 C13 H13 . . 119.4 ?
C15 C14 C13 . . 120.1(2) ?
C15 C14 H14 . . 119.9 ?
C13 C14 H14 . . 119.9 ?
C16 C15 C14 . . 119.7(2) ?
C16 C15 H15 . . 120.2 ?
C14 C15 H15 . . 120.2 ?
C15 C16 C17 . . 120.5(2) ?
C15 C16 H16 . . 119.8 ?
C17 C16 H16 . . 119.8 ?
C16 C17 C12 . . 120.5(2) ?
C16 C17 H17 . . 119.8 ?
C12 C17 H17 . . 119.8 ?
C19 C18 C23 . . 118.40(18) ?
C19 C18 Sn . . 123.25(14) ?
C23 C18 Sn . . 118.31(14) ?
C20 C19 C18 . . 120.8(2) ?
C20 C19 H19 . . 119.6 ?
C18 C19 H19 . . 119.6 ?
C19 C20 C21 . . 120.4(2) ?
C19 C20 H20 . . 119.8 ?
C21 C20 H20 . . 119.8 ?
C22 C21 C20 . . 119.5(2) ?
C22 C21 H21 . . 120.2 ?
C20 C21 H21 . . 120.2 ?
C21 C22 C23 . . 120.5(2) ?
C21 C22 H22 . . 119.8 ?
C23 C22 H22 . . 119.8 ?
C22 C23 C18 . . 120.4(2) ?
C22 C23 H23 . . 119.8 ?
C18 C23 H23 . . 119.8 ?
C25 C24 C29 . . 117.65(18) ?
C25 C24 Sn . . 121.76(14) ?
C29 C24 Sn . . 120.53(14) ?
C24 C25 C26 . . 120.7(2) ?
C24 C25 H25 . . 119.7 ?
C26 C25 H25 . . 119.7 ?
C27 C26 C25 . . 120.5(2) ?
C27 C26 H26 . . 119.7 ?
C25 C26 H26 . . 119.7 ?
C28 C27 C26 . . 119.5(2) ?
C28 C27 H27 . . 120.3 ?
C26 C27 H27 . . 120.3 ?
C29 C28 C27 . . 120.1(2) ?
C29 C28 H28 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C28 C29 C24 . . 121.6(2) ?
C28 C29 H29 . . 119.2 ?
C24 C29 H29 . . 119.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn S1 . 2.4772(5) y
Sn S2 . 3.1048(5) y
Sn C12 . 2.1286(18) y
Sn C18 . 2.1380(19) y
Sn C24 . 2.1521(18) y
S1 C1 . 1.758(2) y
S2 C1 . 1.675(2) y
N1 C1 . 1.337(2) ?
N1 C6 . 1.453(3) ?
N1 C2 . 1.479(3) ?
C2 C3 . 1.517(3) ?
C2 H2A . 0.9900 ?
C2 H2B . 0.9900 ?
C3 C4 . 1.524(3) ?
C3 H3A . 0.9900 ?
C3 H3B . 0.9900 ?
C4 C5 . 1.521(3) ?
C4 H4A . 0.9900 ?
C4 H4B . 0.9900 ?
C5 H5A . 0.9800 ?
C5 H5B . 0.9800 ?
C5 H5C . 0.9800 ?
C6 C11 . 1.378(3) ?
C6 C7 . 1.382(3) ?
C7 C8 . 1.391(3) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.375(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.377(4) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.385(4) ?
C10 H10 . 0.9500 ?
C11 H11 . 0.9500 ?
C12 C13 . 1.377(3) ?
C12 C17 . 1.393(3) ?
C13 C14 . 1.394(3) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.364(3) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.374(3) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.390(3) ?
C16 H16 . 0.9500 ?
C17 H17 . 0.9500 ?
C18 C19 . 1.394(3) ?
C18 C23 . 1.396(3) ?
C19 C20 . 1.384(3) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.385(3) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.378(3) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.391(3) ?
C22 H22 . 0.9500 ?
C23 H23 . 0.9500 ?
C24 C25 . 1.389(3) ?
C24 C29 . 1.394(3) ?
C25 C26 . 1.390(3) ?
C25 H25 . 0.9500 ?
C26 C27 . 1.381(3) ?
C26 H26 . 0.9500 ?
C27 C28 . 1.373(3) ?
C27 H27 . 0.9500 ?
C28 C29 . 1.382(3) ?
C28 H28 . 0.9500 ?
C29 H29 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C28 H28 S2 2_656 0.95 2.83 3.612(2) 140
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
C12 Sn S1 C1 . . . . -68.43(8) ?
C18 Sn S1 C1 . . . . 70.03(8) ?
C24 Sn S1 C1 . . . . -179.43(8) ?
C6 N1 C1 S2 . . . . -179.67(14) ?
C2 N1 C1 S2 . . . . 0.9(3) ?
C6 N1 C1 S1 . . . . 0.3(2) ?
C2 N1 C1 S1 . . . . -179.14(14) ?
Sn S1 C1 N1 . . . . -173.43(14) ?
Sn S1 C1 S2 . . . . 6.51(12) ?
C1 N1 C2 C3 . . . . 88.8(2) ?
C6 N1 C2 C3 . . . . -90.7(2) ?
N1 C2 C3 C4 . . . . -174.46(18) ?
C2 C3 C4 C5 . . . . 178.3(2) ?
C1 N1 C6 C11 . . . . -87.1(2) ?
C2 N1 C6 C11 . . . . 92.3(2) ?
C1 N1 C6 C7 . . . . 94.2(2) ?
C2 N1 C6 C7 . . . . -86.3(2) ?
C11 C6 C7 C8 . . . . 1.5(3) ?
N1 C6 C7 C8 . . . . -179.84(18) ?
C6 C7 C8 C9 . . . . 0.1(3) ?
C7 C8 C9 C10 . . . . -1.1(4) ?
C8 C9 C10 C11 . . . . 0.5(4) ?
C7 C6 C11 C10 . . . . -2.1(3) ?
N1 C6 C11 C10 . . . . 179.2(2) ?
C9 C10 C11 C6 . . . . 1.1(4) ?
C18 Sn C12 C13 . . . . 172.10(15) ?
C24 Sn C12 C13 . . . . 53.25(18) ?
S1 Sn C12 C13 . . . . -48.72(17) ?
C18 Sn C12 C17 . . . . -7.36(19) ?
C24 Sn C12 C17 . . . . -126.21(16) ?
S1 Sn C12 C17 . . . . 131.82(15) ?
C17 C12 C13 C14 . . . . -1.1(3) ?
Sn C12 C13 C14 . . . . 179.44(17) ?
C12 C13 C14 C15 . . . . 0.5(4) ?
C13 C14 C15 C16 . . . . 0.9(4) ?
C14 C15 C16 C17 . . . . -1.6(4) ?
C15 C16 C17 C12 . . . . 1.0(4) ?
C13 C12 C17 C16 . . . . 0.4(3) ?
Sn C12 C17 C16 . . . . 179.86(17) ?
C12 Sn C18 C19 . . . . 58.98(18) ?
C24 Sn C18 C19 . . . . 177.86(16) ?
S1 Sn C18 C19 . . . . -80.93(16) ?
C12 Sn C18 C23 . . . . -118.75(14) ?
C24 Sn C18 C23 . . . . 0.13(16) ?
S1 Sn C18 C23 . . . . 101.34(14) ?
C23 C18 C19 C20 . . . . -1.8(3) ?
Sn C18 C19 C20 . . . . -179.52(16) ?
C18 C19 C20 C21 . . . . 0.9(4) ?
C19 C20 C21 C22 . . . . 0.8(4) ?
C20 C21 C22 C23 . . . . -1.7(4) ?
C21 C22 C23 C18 . . . . 0.8(3) ?
C19 C18 C23 C22 . . . . 0.9(3) ?
Sn C18 C23 C22 . . . . 178.78(15) ?
C12 Sn C24 C25 . . . . 29.77(18) ?
C18 Sn C24 C25 . . . . -93.05(17) ?
S1 Sn C24 C25 . . . . 149.29(16) ?
C12 Sn C24 C29 . . . . -147.32(16) ?
C18 Sn C24 C29 . . . . 89.86(17) ?
S1 Sn C24 C29 . . . . -27.81(16) ?
C29 C24 C25 C26 . . . . 0.5(3) ?
Sn C24 C25 C26 . . . . -176.71(18) ?
C24 C25 C26 C27 . . . . -0.6(4) ?
C25 C26 C27 C28 . . . . 0.5(4) ?
C26 C27 C28 C29 . . . . -0.2(4) ?
C27 C28 C29 C24 . . . . 0.1(4) ?
C25 C24 C29 C28 . . . . -0.2(3) ?
Sn C24 C29 C28 . . . . 177.00(17) ?
