#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/89/2228926.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_2228926
loop_
_publ_author_name
'Rotar, Adina'
'Varga, Richard A.'
'Staninska, Malgorzata'
_publ_section_title
;
 Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV)
 dichloromethane monosolvate
;
_journal_coeditor_code           ZL2332
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m56
_journal_paper_doi               10.1107/S1600536810050713
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C4 H9) (C13 H21 N) Cl3], C H2 Cl2'
_chemical_formula_moiety         'C17 H30 Cl3 N Sn, C H2 Cl2'
_chemical_formula_sum            'C18 H32 Cl5 N Sn'
_chemical_formula_weight         558.39
_chemical_name_systematic
;
Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV)
dichloromethane monosolvate
;
_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                115.594(13)
_cell_angle_beta                 100.767(15)
_cell_angle_gamma                97.176(15)
_cell_formula_units_Z            2
_cell_length_a                   10.654(8)
_cell_length_b                   11.093(9)
_cell_length_c                   12.406(10)
_cell_measurement_reflns_used    1665
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      20.05
_cell_measurement_theta_min      2.35
_cell_volume                     1263.6(17)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0743
_diffrn_reflns_av_sigmaI/netI    0.1206
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9126
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.543
_exptl_absorpt_correction_T_max  0.7687
_exptl_absorpt_correction_T_min  0.5436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.733
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4416
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1038P)²+0.0754P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1952
_refine_ls_wR_factor_ref         0.2130
_reflns_number_gt                3122
_reflns_number_total             4416
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2332.cif
_cod_data_source_block           I
_cod_original_cell_volume        1263.5(17)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               2228926
_cod_database_fobs_code          2228926
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C C1 0.4960(8) 0.7632(8) 0.8171(7) 0.0490(19) Uani d . 1 A .
C C2 0.4078(8) 0.8089(8) 0.8876(7) 0.052(2) Uani d . 1 . .
C C3 0.4102(10) 0.7820(10) 0.9900(7) 0.068(3) Uani d . 1 . .
H H3 0.3545 0.8145 1.0401 0.082 Uiso calc R 1 . .
C C4 0.4950(11) 0.7076(11) 1.0147(9) 0.079(3) Uani d . 1 . .
H H4 0.4942 0.6882 1.0804 0.095 Uiso calc R 1 . .
C C5 0.5813(11) 0.6613(11) 0.9442(10) 0.080(3) Uani d . 1 . .
H H5 0.6392 0.6124 0.9626 0.096 Uiso calc R 1 . .
C C6 0.5798(10) 0.6891(10) 0.8458(9) 0.070(3) Uani d . 1 . .
H H6 0.6369 0.6570 0.7973 0.084 Uiso calc R 1 . .
C C7 0.3141(8) 0.8942(8) 0.8704(7) 0.054(2) Uani d . 1 . .
H H7A 0.3545 0.9547 0.8424 0.065 Uiso calc R 1 . .
H H7B 0.2999 0.9514 0.9501 0.065 Uiso calc R 1 . .
C C8 0.1153(9) 0.6964(9) 0.7985(8) 0.061(2) Uani d . 1 . .
H H8 0.1822 0.6500 0.8175 0.073 Uiso calc R 1 . .
C C9 0.0569(11) 0.7551(12) 0.9098(10) 0.093(3) Uani d . 1 . .
H H9A 0.1267 0.8024 0.9852 0.139 Uiso calc R 1 . .
H H9B 0.0012 0.6814 0.9118 0.139 Uiso calc R 1 . .
H H9C 0.0064 0.8181 0.9019 0.139 Uiso calc R 1 . .
C C10 0.0112(9) 0.5909(11) 0.6802(9) 0.084(3) Uani d . 1 . .
H H10A -0.0587 0.6325 0.6632 0.126 Uiso calc R 1 . .
H H10B -0.0232 0.5140 0.6910 0.126 Uiso calc R 1 . .
H H10C 0.0501 0.5602 0.6119 0.126 Uiso calc R 1 . .
C C11 0.0904(9) 0.8991(10) 0.7562(8) 0.067(2) Uani d . 1 . .
H H11 0.0007 0.8537 0.7457 0.080 Uiso calc R 1 . .
C C12 0.1211(12) 1.0427(11) 0.8664(10) 0.098(4) Uani d . 1 . .
H H12A 0.1148 1.0351 0.9395 0.147 Uiso calc R 1 . .
H H12B 0.0593 1.0926 0.8498 0.147 Uiso calc R 1 . .
H H12C 0.2084 1.0905 0.8791 0.147 Uiso calc R 1 . .
C C13 0.0929(13) 0.9059(15) 0.6384(10) 0.109(4) Uani d . 1 . .
H H13A 0.0260 0.9499 0.6199 0.163 Uiso calc R 1 . .
H H13B 0.0769 0.8145 0.5716 0.163 Uiso calc R 1 . .
H H13C 0.1773 0.9575 0.6483 0.163 Uiso calc R 1 . .
C C14 0.571(6) 0.712(5) 0.490(3) 0.065(6) Uani d PD 0.22 A 1
H H14A 0.5530 0.6136 0.4589 0.078 Uiso calc PR 0.22 A 1
H H14B 0.5079 0.7296 0.4342 0.078 Uiso calc PR 0.22 A 1
C C15 0.702(6) 0.754(8) 0.477(7) 0.089(8) Uani d PD 0.22 A 1
H H15A 0.7620 0.7795 0.5565 0.107 Uiso calc PR 0.22 A 1
H H15B 0.7010 0.8400 0.4735 0.107 Uiso calc PR 0.22 A 1
C C16 0.772(6) 0.681(6) 0.384(5) 0.124(10) Uani d PD 0.22 A 1
H H16A 0.8528 0.7432 0.3967 0.148 Uiso calc PR 0.22 A 1
H H16B 0.7955 0.6044 0.3948 0.148 Uiso calc PR 0.22 A 1
C C17 0.686(9) 0.632(10) 0.258(7) 0.127(10) Uani d PD 0.22 A 1
H H17A 0.6103 0.6701 0.2635 0.191 Uiso calc PR 0.22 A 1
H H17B 0.6587 0.5331 0.2181 0.191 Uiso calc PR 0.22 A 1
H H17C 0.7333 0.6591 0.2105 0.191 Uiso calc PR 0.22 A 1
C C14B 0.587(10) 0.664(4) 0.511(7) 0.065(6) Uani d PD 0.51 A 2
H H14C 0.6522 0.6240 0.5402 0.078 Uiso calc PR 0.51 A 2
H H14D 0.5129 0.5900 0.4515 0.078 Uiso calc PR 0.51 A 2
C C15B 0.644(4) 0.733(3) 0.446(3) 0.089(8) Uani d PD 0.51 A 2
H H15C 0.7198 0.8063 0.5038 0.107 Uiso calc PR 0.51 A 2
H H15D 0.5797 0.7743 0.4161 0.107 Uiso calc PR 0.51 A 2
C C16B 0.684(4) 0.634(3) 0.340(4) 0.124(10) Uani d PD 0.51 A 2
H H16C 0.7401 0.5852 0.3687 0.148 Uiso calc PR 0.51 A 2
H H16D 0.6065 0.5662 0.2783 0.148 Uiso calc PR 0.51 A 2
C C17B 0.755(3) 0.699(4) 0.280(3) 0.127(10) Uani d PD 0.51 A 2
H H17D 0.6927 0.7125 0.2216 0.191 Uiso calc PR 0.51 A 2
H H17E 0.8077 0.6408 0.2368 0.191 Uiso calc PR 0.51 A 2
H H17F 0.8104 0.7862 0.3418 0.191 Uiso calc PR 0.51 A 2
C C14C 0.600(19) 0.687(6) 0.512(13) 0.065(6) Uani d PD 0.27 A 3
H H14E 0.6634 0.6401 0.5342 0.078 Uiso calc PR 0.27 A 3
H H14F 0.5301 0.6190 0.4404 0.078 Uiso calc PR 0.27 A 3
C C15C 0.663(7) 0.794(6) 0.486(5) 0.089(8) Uani d PD 0.27 A 3
H H15E 0.7464 0.8457 0.5474 0.107 Uiso calc PR 0.27 A 3
H H15F 0.6072 0.8569 0.4877 0.107 Uiso calc PR 0.27 A 3
C C16C 0.685(6) 0.724(4) 0.360(5) 0.124(10) Uani d PD 0.27 A 3
H H16E 0.6005 0.6957 0.3002 0.148 Uiso calc PR 0.27 A 3
H H16F 0.7398 0.7924 0.3497 0.148 Uiso calc PR 0.27 A 3
C C17C 0.744(8) 0.603(6) 0.324(7) 0.127(10) Uani d PD 0.27 A 3
H H17G 0.6755 0.5202 0.2812 0.191 Uiso calc PR 0.27 A 3
H H17H 0.7975 0.6054 0.3965 0.191 Uiso calc PR 0.27 A 3
H H17I 0.7974 0.6042 0.2696 0.191 Uiso calc PR 0.27 A 3
C C18 0.7688(13) 0.2311(16) 0.7029(15) 0.131(6) Uani d . 1 . .
H H18A 0.7283 0.1506 0.7073 0.157 Uiso calc R 1 . .
H H18B 0.7266 0.2221 0.6226 0.157 Uiso calc R 1 . .
Cl Cl1 0.75445(19) 0.9363(2) 0.79244(19) 0.0594(6) Uani d . 1 A .
Cl Cl2 0.2839(2) 0.6520(2) 0.5385(2) 0.0644(6) Uani d . 1 A .
Cl Cl3 0.4604(2) 0.9945(2) 0.65829(19) 0.0549(5) Uani d . 1 A .
Cl Cl4 0.7400(7) 0.3745(6) 0.8168(7) 0.234(4) Uani d . 1 . .
Cl Cl5 0.9241(6) 0.2338(7) 0.7127(7) 0.214(3) Uani d . 1 . .
N N1 0.1814(7) 0.8103(7) 0.7781(6) 0.0557(18) Uani d D 1 . .
H H1 0.197(8) 0.773(8) 0.707(4) 0.067 Uiso d D 1 . .
Sn Sn1 0.52253(6) 0.79582(6) 0.66440(5) 0.0525(3) Uani d D 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . . 119.4(8) ?
C6 C1 Sn1 . . 113.1(6) ?
C2 C1 Sn1 . . 127.5(6) ?
C1 C2 C3 . . 118.7(8) ?
C1 C2 C7 . . 125.5(8) ?
C3 C2 C7 . . 115.7(8) ?
C4 C3 C2 . . 119.8(9) ?
C4 C3 H3 . . 120.1 ?
C2 C3 H3 . . 120.1 ?
C3 C4 C5 . . 121.5(9) ?
C3 C4 H4 . . 119.3 ?
C5 C4 H4 . . 119.3 ?
C6 C5 C4 . . 118.5(9) ?
C6 C5 H5 . . 120.7 ?
C4 C5 H5 . . 120.7 ?
C5 C6 C1 . . 122.1(9) ?
C5 C6 H6 . . 119.0 ?
C1 C6 H6 . . 119.0 ?
C2 C7 N1 . . 114.1(7) ?
C2 C7 H7A . . 108.7 ?
N1 C7 H7A . . 108.7 ?
C2 C7 H7B . . 108.7 ?
N1 C7 H7B . . 108.7 ?
H7A C7 H7B . . 107.6 ?
N1 C8 C10 . . 110.1(7) ?
N1 C8 C9 . . 110.6(8) ?
C10 C8 C9 . . 111.8(8) ?
N1 C8 H8 . . 108.1 ?
C10 C8 H8 . . 108.1 ?
C9 C8 H8 . . 108.1 ?
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 ?
C8 C10 H10A . . 109.5 ?
C8 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C8 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C13 C11 C12 . . 111.4(10) ?
C13 C11 N1 . . 110.8(8) ?
C12 C11 N1 . . 112.6(7) ?
C13 C11 H11 . . 107.2 ?
C12 C11 H11 . . 107.2 ?
N1 C11 H11 . . 107.2 ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C11 C13 H13A . . 109.5 ?
C11 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C11 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C15 C14 Sn1 . . 123(4) ?
C15 C14 H14A . . 106.6 ?
Sn1 C14 H14A . . 106.6 ?
C15 C14 H14B . . 106.6 ?
Sn1 C14 H14B . . 106.6 ?
H14A C14 H14B . . 106.5 ?
C14 C15 C16 . . 132(5) ?
C14 C15 H15A . . 104.4 ?
C16 C15 H15A . . 104.4 ?
C14 C15 H15B . . 104.4 ?
C16 C15 H15B . . 104.4 ?
H15A C15 H15B . . 105.6 ?
C17 C16 C15 . . 109(7) ?
C17 C16 H16A . . 109.9 ?
C15 C16 H16A . . 109.9 ?
C15 C16 H16B . . 109.9 ?
H16A C16 H16B . . 108.3 ?
C16 C17 H17A . . 109.5 ?
C16 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C16 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C15B C14B Sn1 . . 114.6(19) ?
C15B C14B H14C . . 108.6 ?
Sn1 C14B H14C . . 108.6 ?
C15B C14B H14D . . 108.6 ?
Sn1 C14B H14D . . 108.6 ?
H14C C14B H14D . . 107.6 ?
C14B C15B C16B . . 111(2) ?
C14B C15B H15C . . 109.5 ?
C16B C15B H15C . . 109.5 ?
C14B C15B H15D . . 109.5 ?
C16B C15B H15D . . 109.5 ?
H15C C15B H15D . . 108.1 ?
C17B C16B C15B . . 113(3) ?
C17B C16B H16C . . 108.9 ?
C15B C16B H16C . . 108.9 ?
C17B C16B H16D . . 108.9 ?
C15B C16B H16D . . 108.9 ?
H16C C16B H16D . . 107.7 ?
C16B C17B H17D . . 109.5 ?
C16B C17B H17E . . 109.5 ?
H17D C17B H17E . . 109.5 ?
C16B C17B H17F . . 109.5 ?
H17D C17B H17F . . 109.5 ?
H17E C17B H17F . . 109.5 ?
C15C C14C Sn1 . . 105(3) ?
C15C C14C H14E . . 110.8 ?
Sn1 C14C H14E . . 110.8 ?
C15C C14C H14F . . 110.9 ?
Sn1 C14C H14F . . 110.9 ?
H14E C14C H14F . . 108.9 ?
C14C C15C C16C . . 108(4) ?
C14C C15C H15E . . 110.2 ?
C16C C15C H15E . . 110.2 ?
C14C C15C H15F . . 110.1 ?
C16C C15C H15F . . 110.1 ?
H15E C15C H15F . . 108.5 ?
C17C C16C C15C . . 121(5) ?
C17C C16C H16E . . 107.0 ?
C15C C16C H16E . . 107.0 ?
C17C C16C H16F . . 107.0 ?
C15C C16C H16F . . 107.0 ?
H16E C16C H16F . . 106.8 ?
C16C C17C H17G . . 109.5 ?
C16C C17C H17H . . 109.5 ?
H17G C17C H17H . . 109.5 ?
C16C C17C H17I . . 109.5 ?
H17G C17C H17I . . 109.5 ?
H17H C17C H17I . . 109.5 ?
Cl5 C18 Cl4 . . 114.1(10) ?
Cl5 C18 H18A . . 108.7 ?
Cl4 C18 H18A . . 108.7 ?
Cl5 C18 H18B . . 108.7 ?
Cl4 C18 H18B . . 108.7 ?
H18A C18 H18B . . 107.6 ?
C8 N1 C7 . . 114.9(7) ?
C8 N1 C11 . . 114.1(7) ?
C7 N1 C11 . . 113.3(7) ?
C8 N1 H1 . . 108(6) ?
C7 N1 H1 . . 105(6) ?
C11 N1 H1 . . 100(6) ?
C14B Sn1 C1 . . 126.9(17) ?
C14B Sn1 C14C . . 7(3) ?
C1 Sn1 C14C . . 132(3) ?
C14B Sn1 C14 . . 19(2) ?
C1 Sn1 C14 . . 145.8(14) ?
C14C Sn1 C14 . . 15(5) ?
C14B Sn1 Cl3 . . 116.5(18) ?
C1 Sn1 Cl3 . . 116.5(2) ?
C14C Sn1 Cl3 . . 111(3) ?
C14 Sn1 Cl3 . . 97.4(13) ?
C14B Sn1 Cl1 . . 93(3) ?
C1 Sn1 Cl1 . . 89.0(2) ?
C14C Sn1 Cl1 . . 89(5) ?
C14 Sn1 Cl1 . . 95.1(16) ?
Cl3 Sn1 Cl1 . . 90.96(9) ?
C14B Sn1 Cl2 . . 88(3) ?
C1 Sn1 Cl2 . . 89.5(2) ?
C14C Sn1 Cl2 . . 92(5) ?
C14 Sn1 Cl2 . . 86.3(16) ?
Cl3 Sn1 Cl2 . . 89.46(9) ?
Cl1 Sn1 Cl2 . . 178.50(7) ?
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
C1 C6 . 1.385(12) ?
C1 C2 . 1.396(11) ?
C1 Sn1 . 2.137(8) ?
C2 C3 . 1.421(11) ?
C2 C7 . 1.506(12) ?
C3 C4 . 1.376(13) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.380(14) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.380(13) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 N1 . 1.524(11) ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C8 N1 . 1.509(11) ?
C8 C10 . 1.529(12) ?
C8 C9 . 1.537(14) ?
C8 H8 . 0.9800 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 H10A . 0.9600 ?
C10 H10B . 0.9600 ?
C10 H10C . 0.9600 ?
C11 C13 . 1.500(13) ?
C11 C12 . 1.527(13) ?
C11 N1 . 1.535(11) ?
C11 H11 . 0.9800 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 C15 . 1.481(19) ?
C14 Sn1 . 2.141(18) ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
C15 C16 . 1.485(19) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 C17 . 1.48(2) ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C14B C15B . 1.483(18) ?
C14B Sn1 . 2.137(12) ?
C14B H14C . 0.9700 ?
C14B H14D . 0.9700 ?
C15B C16B . 1.490(18) ?
C15B H15C . 0.9700 ?
C15B H15D . 0.9700 ?
C16B C17B . 1.479(18) ?
C16B H16C . 0.9700 ?
C16B H16D . 0.9700 ?
C17B H17D . 0.9600 ?
C17B H17E . 0.9600 ?
C17B H17F . 0.9600 ?
C14C C15C . 1.48(2) ?
C14C Sn1 . 2.139(16) ?
C14C H14E . 0.9700 ?
C14C H14F . 0.9700 ?
C15C C16C . 1.49(2) ?
C15C H15E . 0.9700 ?
C15C H15F . 0.9700 ?
C16C C17C . 1.48(2) ?
C16C H16E . 0.9700 ?
C16C H16F . 0.9700 ?
C17C H17G . 0.9600 ?
C17C H17H . 0.9600 ?
C17C H17I . 0.9600 ?
C18 Cl5 . 1.632(14) ?
C18 Cl4 . 1.721(16) ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
Cl1 Sn1 . 2.547(3) ?
Cl2 Sn1 . 2.608(3) ?
Cl3 Sn1 . 2.406(3) ?
N1 H1 . 0.857(10) ?
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
N1 H1 Cl2 . 0.860(10) 2.37(7) 3.208(8) 165(8)
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
C6 C1 C2 C3 . . . . 2.3(12) ?
Sn1 C1 C2 C3 . . . . -176.8(6) ?
C6 C1 C2 C7 . . . . 177.9(8) ?
Sn1 C1 C2 C7 . . . . -1.2(12) ?
C1 C2 C3 C4 . . . . -2.4(13) ?
C7 C2 C3 C4 . . . . -178.4(9) ?
C2 C3 C4 C5 . . . . 1.8(16) ?
C3 C4 C5 C6 . . . . -1.0(17) ?
C4 C5 C6 C1 . . . . 0.9(16) ?
C2 C1 C6 C5 . . . . -1.5(14) ?
Sn1 C1 C6 C5 . . . . 177.7(8) ?
C1 C2 C7 N1 . . . . 88.7(10) ?
C3 C2 C7 N1 . . . . -95.6(8) ?
Sn1 C14 C15 C16 . . . . 154(8) ?
C14 C15 C16 C17 . . . . 52(13) ?
Sn1 C14B C15B C16B . . . . -179(5) ?
C14B C15B C16B C17B . . . . -174(6) ?
Sn1 C14C C15C C16C . . . . -164(7) ?
C14C C15C C16C C17C . . . . -47(12) ?
C10 C8 N1 C7 . . . . -160.6(7) ?
C9 C8 N1 C7 . . . . 75.3(9) ?
C10 C8 N1 C11 . . . . 66.2(9) ?
C9 C8 N1 C11 . . . . -57.9(10) ?
C2 C7 N1 C8 . . . . 49.8(9) ?
C2 C7 N1 C11 . . . . -176.6(7) ?
C13 C11 N1 C8 . . . . -126.3(9) ?
C12 C11 N1 C8 . . . . 108.2(9) ?
C13 C11 N1 C7 . . . . 99.7(9) ?
C12 C11 N1 C7 . . . . -25.8(11) ?
C15B C14B Sn1 C1 . . . . -158(5) ?
C15B C14B Sn1 C14 . . . . 29(6) ?
C15B C14B Sn1 Cl3 . . . . 26(8) ?
C15B C14B Sn1 Cl1 . . . . -67(7) ?
C15B C14B Sn1 Cl2 . . . . 114(7) ?
C6 C1 Sn1 C14B . . . . 30(4) ?
C2 C1 Sn1 C14B . . . . -151(4) ?
C6 C1 Sn1 C14C . . . . 24(7) ?
C2 C1 Sn1 C14C . . . . -157(7) ?
C6 C1 Sn1 C14 . . . . 34(3) ?
C2 C1 Sn1 C14 . . . . -147(3) ?
C6 C1 Sn1 Cl3 . . . . -154.2(6) ?
C2 C1 Sn1 Cl3 . . . . 25.0(8) ?
C6 C1 Sn1 Cl1 . . . . -63.6(6) ?
C2 C1 Sn1 Cl1 . . . . 115.5(7) ?
C6 C1 Sn1 Cl2 . . . . 116.6(6) ?
C2 C1 Sn1 Cl2 . . . . -64.2(7) ?
C15C C14C Sn1 C1 . . . . -147(7) ?
C15C C14C Sn1 C14 . . . . 54(9) ?
C15C C14C Sn1 Cl3 . . . . 31(13) ?
C15C C14C Sn1 Cl1 . . . . -60(11) ?
C15C C14C Sn1 Cl2 . . . . 121(11) ?
C15 C14 Sn1 C14B . . . . -91(12) ?
C15 C14 Sn1 C1 . . . . -101(6) ?
C15 C14 Sn1 C14C . . . . -72(18) ?
C15 C14 Sn1 Cl3 . . . . 86(6) ?
C15 C14 Sn1 Cl1 . . . . -5(6) ?
C15 C14 Sn1 Cl2 . . . . 175(6) ?
