#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:16:35 +0300 (Fri, 05 May 2023) $
#$Revision: 283059 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/13/7131359.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_7131359
loop_
_publ_author_name
'Hu, Qichuan'
'Liu, Jing'
'Yu, Hailong'
'Xu, Hanqi'
'Yu, Jinyang'
'Wu, Wenzhi'
_publ_section_title
;
 Photophysical properties of tetrabutylammonium metal chlorides with
 different inorganic frameworks.
;
_journal_issue                   25
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3763
_journal_page_last               3766
_journal_paper_doi               10.1039/d2cc06988a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C20 H48 Cl5 N O2 Sn'
_chemical_formula_weight         630.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-07-18 deposited with the CCDC.	2023-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                109.091(4)
_cell_angle_beta                 105.943(4)
_cell_angle_gamma                94.281(4)
_cell_formula_units_Z            2
_cell_length_a                   11.1104(19)
_cell_length_b                   12.108(2)
_cell_length_c                   13.108(3)
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.77
_cell_measurement_theta_min      2.40
_cell_volume                     1575.8(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  ccd
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42480
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.204
_diffrn_reflns_theta_max         25.204
_diffrn_reflns_theta_min         2.401
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         0.735
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5616
_refine_ls_number_restraints     145
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.1381
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0672P)²+3.0878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1624
_refine_ls_wR_factor_ref         0.1940
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3252
_reflns_number_total             5616
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06988a2.cif
_cod_data_source_block           1_a_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7131357--7131359.cif.'
_cod_database_code               7131359
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.788
_shelx_estimated_absorpt_t_max   0.788
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3369(9) 0.8462(9) 0.5131(9) 0.122(3) Uani 1 1 d D U . . .
H1A H 0.3767 0.9235 0.5713 0.146 Uiso 1 1 calc R U . . .
H1B H 0.4035 0.8091 0.4882 0.146 Uiso 1 1 calc R U . . .
C2 C 0.2467(10) 0.8639(9) 0.4145(9) 0.138(3) Uani 1 1 d D U . . .
H2A H 0.1757 0.8941 0.4368 0.165 Uiso 1 1 calc R U . . .
H2B H 0.2132 0.7874 0.3529 0.165 Uiso 1 1 calc R U . . .
C3 C 0.3059(11) 0.9488(10) 0.3707(10) 0.137(3) Uani 1 1 d D U . . .
H3A H 0.3800 0.9220 0.3523 0.164 Uiso 1 1 calc R U . . .
H3B H 0.3333 1.0273 0.4296 0.164 Uiso 1 1 calc R U . . .
C4 C 0.2107(13) 0.9549(13) 0.2658(11) 0.182(5) Uani 1 1 d D U . . .
H4A H 0.2494 1.0089 0.2392 0.273 Uiso 1 1 calc R U . . .
H4B H 0.1844 0.8773 0.2072 0.273 Uiso 1 1 calc R U . . .
H4C H 0.1378 0.9825 0.2844 0.273 Uiso 1 1 calc R U . . .
C5 C 0.2031(10) 0.6586(8) 0.4816(9) 0.128(3) Uani 1 1 d D U . . .
H5A H 0.1720 0.6148 0.5221 0.154 Uiso 1 1 calc R U . . .
H5B H 0.1295 0.6746 0.4320 0.154 Uiso 1 1 calc R U . . .
C6 C 0.2694(11) 0.5809(9) 0.4089(10) 0.153(3) Uani 1 1 d D U . . .
H6A H 0.3376 0.5581 0.4578 0.183 Uiso 1 1 calc R U . . .
H6B H 0.3082 0.6275 0.3746 0.183 Uiso 1 1 calc R U . . .
C7 C 0.1869(13) 0.4687(10) 0.3146(11) 0.171(4) Uani 1 1 d D U . . .
H7A H 0.2397 0.4083 0.3037 0.205 Uiso 1 1 calc R U . . .
H7B H 0.1218 0.4414 0.3417 0.205 Uiso 1 1 calc R U . . .
C8 C 0.1220(18) 0.4736(18) 0.2009(14) 0.251(7) Uani 1 1 d D U . . .
H8A H 0.0736 0.3966 0.1505 0.376 Uiso 1 1 calc R U . . .
H8B H 0.0660 0.5303 0.2086 0.376 Uiso 1 1 calc R U . . .
H8C H 0.1845 0.4970 0.1703 0.376 Uiso 1 1 calc R U . . .
C9 C 0.1949(9) 0.8410(10) 0.6198(9) 0.128(3) Uani 1 1 d D U . . .
H9A H 0.2419 0.9210 0.6647 0.154 Uiso 1 1 calc R U . . .
H9B H 0.1249 0.8469 0.5595 0.154 Uiso 1 1 calc R U . . .
C10 C 0.1384(11) 0.7992(11) 0.6944(10) 0.152(3) Uani 1 1 d D U . . .
H10A H 0.2059 0.7854 0.7514 0.183 Uiso 1 1 calc R U . . .
H10B H 0.0808 0.7242 0.6488 0.183 Uiso 1 1 calc R U . . .
C11 C 0.0671(13) 0.8862(13) 0.7533(12) 0.177(4) Uani 1 1 d D U . . .
H11A H 0.1227 0.9633 0.7887 0.212 Uiso 1 1 calc R U . . .
H11B H -0.0048 0.8923 0.6948 0.212 Uiso 1 1 calc R U . . .
C12 C 0.0177(15) 0.8655(16) 0.8412(13) 0.212(6) Uani 1 1 d D U . . .
H12A H -0.0251 0.9290 0.8700 0.318 Uiso 1 1 calc R U . . .
H12B H -0.0411 0.7914 0.8080 0.318 Uiso 1 1 calc R U . . .
H12C H 0.0872 0.8629 0.9024 0.318 Uiso 1 1 calc R U . . .
C13 C 0.3861(8) 0.7530(9) 0.6507(8) 0.125(3) Uani 1 1 d D U . . .
H13A H 0.3510 0.6942 0.6752 0.150 Uiso 1 1 calc R U . . .
H13B H 0.4445 0.7177 0.6120 0.150 Uiso 1 1 calc R U . . .
C14 C 0.4628(10) 0.8560(9) 0.7554(10) 0.148(3) Uani 1 1 d D U . . .
H14A H 0.4098 0.8853 0.8025 0.178 Uiso 1 1 calc R U . . .
H14B H 0.4925 0.9198 0.7339 0.178 Uiso 1 1 calc R U . . .
C15 C 0.5759(10) 0.8186(10) 0.8227(10) 0.152(4) Uani 1 1 d D U . . .
H15A H 0.5474 0.7506 0.8393 0.183 Uiso 1 1 calc R U . . .
H15B H 0.6336 0.7963 0.7789 0.183 Uiso 1 1 calc R U . . .
C16 C 0.6432(15) 0.9225(12) 0.9326(12) 0.215(7) Uani 1 1 d D U . . .
H16A H 0.6801 0.9872 0.9174 0.322 Uiso 1 1 d R U . . .
H16B H 0.7091 0.8955 0.9780 0.322 Uiso 1 1 d R U . . .
H16C H 0.5842 0.9488 0.9729 0.322 Uiso 1 1 d R U . . .
C17 C 0.7607(13) 0.7260(11) 0.1170(12) 0.166(4) Uani 1 1 d D U . . .
H17A H 0.7667 0.8074 0.1660 0.199 Uiso 1 1 calc R U . . .
H17B H 0.6967 0.7106 0.0443 0.199 Uiso 1 1 calc R U . . .
C18 C 0.8886(14) 0.7054(15) 0.1009(15) 0.221(7) Uani 1 1 d D U . . .
H18A H 0.9147 0.7578 0.0666 0.332 Uiso 1 1 calc R U . . .
H18B H 0.9508 0.7208 0.1736 0.332 Uiso 1 1 calc R U . . .
H18C H 0.8811 0.6245 0.0525 0.332 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5705(3) 0.8188(2) 0.2845(3) 0.1331(10) Uani 1 1 d . . . . .
Cl2 Cl 0.6621(3) 0.7168(3) 0.5109(2) 0.1285(9) Uani 1 1 d . . . . .
Cl3 Cl 0.8819(2) 0.8411(2) 0.4102(2) 0.1151(8) Uani 1 1 d . . . . .
Cl4 Cl 0.8382(2) 0.5455(2) 0.3591(3) 0.1184(9) Uani 1 1 d . . . . .
Cl5 Cl 0.5241(3) 0.5230(2) 0.2332(3) 0.1329(10) Uani 1 1 d . . . . .
N1 N 0.2801(6) 0.7729(5) 0.5652(6) 0.0885(16) Uani 1 1 d D U . . .
O1 O 0.6469(10) 0.4473(9) 0.9963(7) 0.193(4) Uani 1 1 d D U . . .
H1 H 0.6156 0.4390 0.9293 0.231 Uiso 1 1 d R U . . .
O2 O 0.7287(7) 0.6450(6) 0.1682(6) 0.123(2) Uani 1 1 d D U . . .
H2 H 0.7235 0.5767 0.1256 0.148 Uiso 1 1 d R U . . .
Sn1 Sn 0.70191(5) 0.68428(5) 0.33484(5) 0.0834(3) Uani 1 1 d . . . . .
C19 C 0.6583(19) 0.3319(13) 1.0035(17) 0.282(9) Uani 1 1 d D U . . .
H19A H 0.5941 0.2707 0.9401 0.338 Uiso 1 1 calc R U . . .
H19B H 0.6477 0.3297 1.0739 0.338 Uiso 1 1 calc R U . . .
C20 C 0.789(2) 0.3128(18) 1.000(2) 0.335(12) Uani 1 1 d D U . . .
H20A H 0.8011 0.2367 1.0043 0.503 Uiso 1 1 calc R U . . .
H20B H 0.7977 0.3154 0.9297 0.503 Uiso 1 1 calc R U . . .
H20C H 0.8511 0.3741 1.0628 0.503 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
C2 C1 N1 115.6(8) . . ?
C2 C1 H1A 108.4 . . ?
N1 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
N1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 C3 113.9(9) . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
C3 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 C4 110.5(10) . . ?
C2 C3 H3A 109.6 . . ?
C4 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
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 N1 115.9(8) . . ?
C6 C5 H5A 108.3 . . ?
N1 C5 H5A 108.3 . . ?
C6 C5 H5B 108.3 . . ?
N1 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 C7 116.0(10) . . ?
C5 C6 H6A 108.3 . . ?
C7 C6 H6A 108.3 . . ?
C5 C6 H6B 108.3 . . ?
C7 C6 H6B 108.3 . . ?
H6A C6 H6B 107.4 . . ?
C8 C7 C6 118.9(13) . . ?
C8 C7 H7A 107.6 . . ?
C6 C7 H7A 107.6 . . ?
C8 C7 H7B 107.6 . . ?
C6 C7 H7B 107.6 . . ?
H7A C7 H7B 107.0 . . ?
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 . . ?
C10 C9 N1 120.3(8) . . ?
C10 C9 H9A 107.2 . . ?
N1 C9 H9A 107.2 . . ?
C10 C9 H9B 107.2 . . ?
N1 C9 H9B 107.2 . . ?
H9A C9 H9B 106.9 . . ?
C9 C10 C11 113.0(10) . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
C11 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C10 120.2(12) . . ?
C12 C11 H11A 107.3 . . ?
C10 C11 H11A 107.3 . . ?
C12 C11 H11B 107.3 . . ?
C10 C11 H11B 107.3 . . ?
H11A C11 H11B 106.9 . . ?
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 . . ?
C14 C13 N1 119.5(8) . . ?
C14 C13 H13A 107.5 . . ?
N1 C13 H13A 107.5 . . ?
C14 C13 H13B 107.5 . . ?
N1 C13 H13B 107.5 . . ?
H13A C13 H13B 107.0 . . ?
C13 C14 C15 110.4(9) . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 C14 108.2(10) . . ?
C16 C15 H15A 110.1 . . ?
C14 C15 H15A 110.1 . . ?
C16 C15 H15B 110.1 . . ?
C14 C15 H15B 110.1 . . ?
H15A C15 H15B 108.4 . . ?
C15 C16 H16A 110.7 . . ?
C15 C16 H16B 107.6 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 110.0 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C17 C18 106.0(10) . . ?
O2 C17 H17A 110.5 . . ?
C18 C17 H17A 110.5 . . ?
O2 C17 H17B 110.5 . . ?
C18 C17 H17B 110.5 . . ?
H17A C17 H17B 108.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C5 N1 C13 110.3(7) . . ?
C5 N1 C9 107.6(7) . . ?
C13 N1 C9 111.1(7) . . ?
C5 N1 C1 113.1(7) . . ?
C13 N1 C1 107.3(7) . . ?
C9 N1 C1 107.4(7) . . ?
C19 O1 H1 108.7 . . ?
C17 O2 Sn1 128.8(7) . . ?
C17 O2 H2 109.3 . . ?
Sn1 O2 H2 121.8 . . ?
O2 Sn1 Cl4 85.84(19) . . ?
O2 Sn1 Cl2 176.45(19) . . ?
Cl4 Sn1 Cl2 93.95(10) . . ?
O2 Sn1 Cl3 87.9(2) . . ?
Cl4 Sn1 Cl3 90.53(9) . . ?
Cl2 Sn1 Cl3 95.66(10) . . ?
O2 Sn1 Cl1 85.8(2) . . ?
Cl4 Sn1 Cl1 171.64(10) . . ?
Cl2 Sn1 Cl1 94.41(11) . . ?
Cl3 Sn1 Cl1 88.72(10) . . ?
O2 Sn1 Cl5 84.0(2) . . ?
Cl4 Sn1 Cl5 89.62(10) . . ?
Cl2 Sn1 Cl5 92.40(11) . . ?
Cl3 Sn1 Cl5 171.90(10) . . ?
Cl1 Sn1 Cl5 89.95(11) . . ?
O1 C19 C20 106.2(12) . . ?
O1 C19 H19A 110.5 . . ?
C20 C19 H19A 110.5 . . ?
O1 C19 H19B 110.5 . . ?
C20 C19 H19B 110.5 . . ?
H19A C19 H19B 108.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.491(8) . ?
C1 N1 1.484(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.520(8) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.515(9) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.496(8) . ?
C5 N1 1.471(8) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.519(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.489(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.490(8) . ?
C9 N1 1.480(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.503(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.486(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.499(8) . ?
C13 N1 1.481(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.516(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.517(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 O2 1.431(8) . ?
C17 C18 1.520(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
Cl1 Sn1 2.398(2) . ?
Cl2 Sn1 2.381(3) . ?
Cl3 Sn1 2.387(2) . ?
Cl4 Sn1 2.384(2) . ?
Cl5 Sn1 2.401(3) . ?
O1 C19 1.444(9) . ?
O1 H1 0.8200 . ?
O2 Sn1 2.187(6) . ?
O2 H2 0.8200 . ?
C19 C20 1.496(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 174.4(9) . . . . ?
C1 C2 C3 C4 176.0(11) . . . . ?
N1 C5 C6 C7 -174.1(10) . . . . ?
C5 C6 C7 C8 89.3(18) . . . . ?
N1 C9 C10 C11 173.2(10) . . . . ?
C9 C10 C11 C12 -172.9(13) . . . . ?
N1 C13 C14 C15 -172.6(10) . . . . ?
C13 C14 C15 C16 -175.0(12) . . . . ?
C6 C5 N1 C13 -64.3(12) . . . . ?
C6 C5 N1 C9 174.4(10) . . . . ?
C6 C5 N1 C1 55.9(12) . . . . ?
C14 C13 N1 C5 -169.2(10) . . . . ?
C14 C13 N1 C9 -50.0(12) . . . . ?
C14 C13 N1 C1 67.2(12) . . . . ?
C10 C9 N1 C5 67.1(12) . . . . ?
C10 C9 N1 C13 -53.8(12) . . . . ?
C10 C9 N1 C1 -170.8(10) . . . . ?
C2 C1 N1 C5 51.0(11) . . . . ?
C2 C1 N1 C13 172.9(9) . . . . ?
C2 C1 N1 C9 -67.6(11) . . . . ?
C18 C17 O2 Sn1 117.3(11) . . . . ?
