#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/77/7007726.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_7007726
loop_
_publ_author_name
'Hill, Nicholas J.'
'Reeske, Gregor'
'Moore, Jennifer A.'
'Cowley, Alan H.'
_publ_section_title
;
 Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with
 some heavy p-block elements.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4838
_journal_page_last               4844
_journal_paper_doi               10.1039/b609737e
_journal_year                    2006
_chemical_formula_moiety         '2(C36 H40 Cl4 N2 Sn), 3(C H2 Cl2)'
_chemical_formula_sum            'C75 H86 Cl14 N4 Sn2'
_chemical_formula_weight         1777.16
_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
;
manual editing of the .cif file
created by SHELXTL Ver. 6.10
;
_cell_angle_alpha                97.092(5)
_cell_angle_beta                 100.491(5)
_cell_angle_gamma                96.647(5)
_cell_formula_units_Z            2
_cell_length_a                   11.360(5)
_cell_length_b                   18.133(5)
_cell_length_c                   20.186(5)
_cell_measurement_temperature    153(2)
_cell_volume                     4016(2)
_computing_cell_refinement       Denzo
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        Scalepack
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_av_sigmaI/netI    0.2208
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29036
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    1.131
_exptl_absorpt_correction_T_max  0.7653
_exptl_absorpt_correction_T_min  0.7279
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1804
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.472
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         18181
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.2047
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0832P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1899
_reflns_number_gt                9762
_reflns_number_total             18181
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b609737e.txt
_cod_data_source_block           grnh056
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007726
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6435(5) 0.3044(4) 0.1091(3) 0.0243(16) Uani 1 1 d . . .
C2 C 0.5118(6) 0.2936(4) 0.0879(4) 0.0314(18) Uani 1 1 d . . .
C3 C 0.4281(6) 0.2378(4) 0.0451(4) 0.0349(18) Uani 1 1 d . . .
H3 H 0.4522 0.1944 0.0229 0.042 Uiso 1 1 calc R . .
C4 C 0.3048(6) 0.2489(5) 0.0362(4) 0.042(2) Uani 1 1 d . . .
H4 H 0.2462 0.2114 0.0073 0.051 Uiso 1 1 calc R . .
C5 C 0.2656(6) 0.3102(4) 0.0670(4) 0.039(2) Uani 1 1 d . . .
H5 H 0.1819 0.3147 0.0585 0.047 Uiso 1 1 calc R . .
C6 C 0.3496(6) 0.3672(4) 0.1115(4) 0.0386(19) Uani 1 1 d . . .
C7 C 0.3269(7) 0.4346(5) 0.1470(4) 0.043(2) Uani 1 1 d . . .
H7 H 0.2460 0.4450 0.1427 0.052 Uiso 1 1 calc R . .
C8 C 0.4182(6) 0.4852(4) 0.1875(4) 0.042(2) Uani 1 1 d . . .
H8 H 0.3980 0.5295 0.2105 0.051 Uiso 1 1 calc R . .
C9 C 0.5403(6) 0.4747(4) 0.1966(4) 0.0377(19) Uani 1 1 d . . .
H9 H 0.6022 0.5108 0.2247 0.045 Uiso 1 1 calc R . .
C10 C 0.5666(6) 0.4094(4) 0.1628(3) 0.0300(17) Uani 1 1 d . . .
C11 C 0.4715(6) 0.3568(4) 0.1200(4) 0.0322(17) Uani 1 1 d . . .
C12 C 0.6783(6) 0.3777(4) 0.1586(3) 0.0242(16) Uani 1 1 d . . .
C13 C 0.6923(5) 0.2138(4) 0.0281(3) 0.0282(17) Uani 1 1 d . . .
C14 C 0.6888(6) 0.1381(4) 0.0329(4) 0.0299(17) Uani 1 1 d . . .
C15 C 0.6482(6) 0.0877(4) -0.0270(4) 0.042(2) Uani 1 1 d . . .
H15 H 0.6435 0.0353 -0.0255 0.051 Uiso 1 1 calc R . .
C16 C 0.6147(7) 0.1129(5) -0.0886(4) 0.046(2) Uani 1 1 d . . .
H16 H 0.5875 0.0779 -0.1291 0.055 Uiso 1 1 calc R . .
C17 C 0.6206(6) 0.1887(4) -0.0914(4) 0.0378(19) Uani 1 1 d . . .
H17 H 0.5955 0.2053 -0.1339 0.045 Uiso 1 1 calc R . .
C18 C 0.6626(5) 0.2415(4) -0.0333(3) 0.0287(17) Uani 1 1 d . . .
C19 C 0.7184(6) 0.1077(4) 0.0995(4) 0.0352(18) Uani 1 1 d . . .
H19 H 0.7723 0.1483 0.1333 0.042 Uiso 1 1 calc R . .
C20 C 0.7847(8) 0.0399(4) 0.0946(5) 0.060(3) Uani 1 1 d . . .
H20A H 0.7305 -0.0028 0.0661 0.090 Uiso 1 1 calc R . .
H20B H 0.8111 0.0272 0.1403 0.090 Uiso 1 1 calc R . .
H20C H 0.8554 0.0514 0.0743 0.090 Uiso 1 1 calc R . .
C21 C 0.6027(7) 0.0886(4) 0.1269(4) 0.047(2) Uani 1 1 d . . .
H21A H 0.5610 0.1329 0.1305 0.070 Uiso 1 1 calc R . .
H21B H 0.6239 0.0734 0.1720 0.070 Uiso 1 1 calc R . .
H21C H 0.5495 0.0474 0.0958 0.070 Uiso 1 1 calc R . .
C22 C 0.6711(6) 0.3258(4) -0.0424(3) 0.0318(17) Uani 1 1 d . . .
H22 H 0.7057 0.3567 0.0030 0.038 Uiso 1 1 calc R . .
C23 C 0.5472(6) 0.3486(5) -0.0690(4) 0.049(2) Uani 1 1 d . . .
H23A H 0.5564 0.4025 -0.0714 0.073 Uiso 1 1 calc R . .
H23B H 0.4926 0.3372 -0.0380 0.073 Uiso 1 1 calc R . .
H23C H 0.5133 0.3206 -0.1145 0.073 Uiso 1 1 calc R . .
C24 C 0.7551(6) 0.3438(4) -0.0909(3) 0.0379(19) Uani 1 1 d . . .
H24A H 0.8323 0.3257 -0.0762 0.057 Uiso 1 1 calc R . .
H24B H 0.7692 0.3982 -0.0905 0.057 Uiso 1 1 calc R . .
H24C H 0.7178 0.3190 -0.1371 0.057 Uiso 1 1 calc R . .
C25 C 0.8216(5) 0.4792(4) 0.2153(4) 0.0282(17) Uani 1 1 d . . .
C26 C 0.8429(6) 0.4948(4) 0.2872(4) 0.0381(19) Uani 1 1 d . . .
C27 C 0.8588(6) 0.5695(5) 0.3164(4) 0.048(2) Uani 1 1 d . . .
H27 H 0.8730 0.5818 0.3646 0.057 Uiso 1 1 calc R . .
C28 C 0.8543(7) 0.6260(5) 0.2769(5) 0.051(2) Uani 1 1 d . . .
H28 H 0.8622 0.6767 0.2978 0.061 Uiso 1 1 calc R . .
C29 C 0.8386(6) 0.6095(4) 0.2071(4) 0.043(2) Uani 1 1 d . . .
H29 H 0.8392 0.6493 0.1807 0.052 Uiso 1 1 calc R . .
C30 C 0.8218(6) 0.5362(4) 0.1746(4) 0.0318(17) Uani 1 1 d . . .
C31 C 0.8453(6) 0.4328(5) 0.3303(4) 0.044(2) Uani 1 1 d . . .
H31 H 0.8714 0.3891 0.3042 0.053 Uiso 1 1 calc R . .
C32 C 0.7173(7) 0.4065(5) 0.3429(4) 0.062(3) Uani 1 1 d . . .
H32A H 0.6862 0.4491 0.3652 0.093 Uiso 1 1 calc R . .
H32B H 0.7220 0.3673 0.3723 0.093 Uiso 1 1 calc R . .
H32C H 0.6629 0.3864 0.2993 0.093 Uiso 1 1 calc R . .
C33 C 0.9345(7) 0.4532(5) 0.3988(4) 0.060(3) Uani 1 1 d . . .
H33A H 1.0133 0.4748 0.3913 0.091 Uiso 1 1 calc R . .
H33B H 0.9433 0.4079 0.4201 0.091 Uiso 1 1 calc R . .
H33C H 0.9038 0.4899 0.4287 0.091 Uiso 1 1 calc R . .
C34 C 0.8041(6) 0.5221(4) 0.0965(4) 0.0369(19) Uani 1 1 d . . .
H34 H 0.7945 0.4665 0.0826 0.044 Uiso 1 1 calc R . .
C35 C 0.9165(7) 0.5559(4) 0.0726(4) 0.052(2) Uani 1 1 d . . .
H35A H 0.9088 0.5387 0.0238 0.078 Uiso 1 1 calc R . .
H35B H 0.9887 0.5397 0.0980 0.078 Uiso 1 1 calc R . .
H35C H 0.9239 0.6108 0.0807 0.078 Uiso 1 1 calc R . .
C36 C 0.6908(7) 0.5481(5) 0.0625(4) 0.058(2) Uani 1 1 d . . .
H36A H 0.6213 0.5241 0.0783 0.087 Uiso 1 1 calc R . .
H36B H 0.6796 0.5347 0.0130 0.087 Uiso 1 1 calc R . .
H36C H 0.6973 0.6028 0.0741 0.087 Uiso 1 1 calc R . .
C37 C 0.4771(6) 0.1913(4) 0.4804(3) 0.0307(17) Uani 1 1 d . . .
C38 C 0.5264(6) 0.1641(4) 0.4207(3) 0.0283(17) Uani 1 1 d . . .
C39 C 0.4775(7) 0.1181(4) 0.3606(4) 0.040(2) Uani 1 1 d . . .
H39 H 0.3939 0.0986 0.3496 0.048 Uiso 1 1 calc R . .
C40 C 0.5552(7) 0.1006(4) 0.3154(4) 0.042(2) Uani 1 1 d . . .
H40 H 0.5222 0.0685 0.2737 0.050 Uiso 1 1 calc R . .
C41 C 0.6754(7) 0.1277(4) 0.3292(4) 0.044(2) Uani 1 1 d . . .
H41 H 0.7241 0.1148 0.2972 0.053 Uiso 1 1 calc R . .
C42 C 0.7281(7) 0.1753(4) 0.3913(4) 0.0385(19) Uani 1 1 d . . .
C43 C 0.8521(6) 0.2059(4) 0.4147(4) 0.0388(19) Uani 1 1 d . . .
H43 H 0.9086 0.1974 0.3861 0.047 Uiso 1 1 calc R . .
C44 C 0.8905(7) 0.2475(4) 0.4777(4) 0.042(2) Uani 1 1 d . . .
H44 H 0.9739 0.2667 0.4919 0.050 Uiso 1 1 calc R . .
C45 C 0.8122(6) 0.2634(4) 0.5226(4) 0.0341(18) Uani 1 1 d . . .
H45 H 0.8417 0.2923 0.5663 0.041 Uiso 1 1 calc R . .
C46 C 0.6913(6) 0.2354(4) 0.5010(3) 0.0283(17) Uani 1 1 d . . .
C47 C 0.6513(6) 0.1910(4) 0.4361(3) 0.0301(17) Uani 1 1 d . . .
C48 C 0.5846(6) 0.2376(4) 0.5319(3) 0.0259(16) Uani 1 1 d . . .
C49 C 0.2681(6) 0.1534(4) 0.4420(3) 0.0260(16) Uani 1 1 d . . .
C50 C 0.2244(6) 0.1951(4) 0.3920(3) 0.0291(17) Uani 1 1 d . . .
C51 C 0.1246(6) 0.1605(4) 0.3425(4) 0.042(2) Uani 1 1 d . . .
H51 H 0.0931 0.1882 0.3079 0.050 Uiso 1 1 calc R . .
C52 C 0.0703(7) 0.0898(5) 0.3410(4) 0.046(2) Uani 1 1 d . . .
H52 H 0.0023 0.0683 0.3064 0.055 Uiso 1 1 calc R . .
C53 C 0.1161(8) 0.0500(5) 0.3906(5) 0.054(2) Uani 1 1 d . . .
H53 H 0.0781 0.0003 0.3897 0.065 Uiso 1 1 calc R . .
C54 C 0.2167(7) 0.0788(4) 0.4430(4) 0.043(2) Uani 1 1 d . . .
C55 C 0.2758(7) 0.2741(4) 0.3870(4) 0.0382(19) Uani 1 1 d . . .
H55 H 0.3453 0.2912 0.4261 0.046 Uiso 1 1 calc R . .
C56 C 0.3227(8) 0.2788(4) 0.3207(4) 0.054(2) Uani 1 1 d . . .
H56A H 0.3807 0.2433 0.3166 0.081 Uiso 1 1 calc R . .
H56B H 0.3627 0.3299 0.3214 0.081 Uiso 1 1 calc R . .
H56C H 0.2547 0.2663 0.2817 0.081 Uiso 1 1 calc R . .
C57 C 0.1798(7) 0.3260(4) 0.3931(4) 0.048(2) Uani 1 1 d . . .
H57A H 0.1138 0.3129 0.3531 0.072 Uiso 1 1 calc R . .
H57B H 0.2163 0.3782 0.3956 0.072 Uiso 1 1 calc R . .
H57C H 0.1480 0.3202 0.4344 0.072 Uiso 1 1 calc R . .
C58 C 0.2691(12) 0.0304(5) 0.4932(5) 0.092(4) Uani 1 1 d . . .
H58 H 0.3278 0.0646 0.5303 0.110 Uiso 1 1 calc R . .
C59 C 0.1774(15) -0.0100(6) 0.5264(7) 0.168(8) Uani 1 1 d . . .
H59A H 0.1416 0.0268 0.5533 0.252 Uiso 1 1 calc R . .
H59B H 0.2173 -0.0422 0.5563 0.252 Uiso 1 1 calc R . .
H59C H 0.1139 -0.0408 0.4912 0.252 Uiso 1 1 calc R . .
C60 C 0.3391(8) -0.0248(5) 0.4619(6) 0.087(4) Uani 1 1 d . . .
H60A H 0.2833 -0.0628 0.4285 0.131 Uiso 1 1 calc R . .
H60B H 0.3828 -0.0492 0.4976 0.131 Uiso 1 1 calc R . .
H60C H 0.3970 0.0015 0.4393 0.131 Uiso 1 1 calc R . .
C61 C 0.6684(6) 0.3155(4) 0.6382(3) 0.0289(17) Uani 1 1 d . . .
C62 C 0.7445(6) 0.2820(4) 0.6848(4) 0.0346(18) Uani 1 1 d . . .
C63 C 0.8310(6) 0.3298(5) 0.7324(4) 0.040(2) Uani 1 1 d . . .
H63 H 0.8820 0.3089 0.7657 0.048 Uiso 1 1 calc R . .
C64 C 0.8469(6) 0.4058(5) 0.7342(4) 0.043(2) Uani 1 1 d . . .
H64 H 0.9057 0.4372 0.7687 0.052 Uiso 1 1 calc R . .
C65 C 0.7761(6) 0.4356(4) 0.6849(4) 0.041(2) Uani 1 1 d . . .
H65 H 0.7897 0.4882 0.6847 0.049 Uiso 1 1 calc R . .
C66 C 0.6856(6) 0.3926(4) 0.6355(4) 0.0333(18) Uani 1 1 d . . .
C67 C 0.7374(6) 0.1986(4) 0.6847(4) 0.0380(19) Uani 1 1 d . . .
H67 H 0.6751 0.1730 0.6444 0.046 Uiso 1 1 calc R . .
C68 C 0.8573(7) 0.1708(5) 0.6787(4) 0.049(2) Uani 1 1 d . . .
H68A H 0.8807 0.1832 0.6366 0.073 Uiso 1 1 calc R . .
H68B H 0.8483 0.1163 0.6779 0.073 Uiso 1 1 calc R . .
H68C H 0.9198 0.1951 0.7179 0.073 Uiso 1 1 calc R . .
C69 C 0.6986(7) 0.1757(5) 0.7490(4) 0.053(2) Uani 1 1 d . . .
H69A H 0.7612 0.1974 0.7890 0.079 Uiso 1 1 calc R . .
H69B H 0.6874 0.1209 0.7456 0.079 Uiso 1 1 calc R . .
H69C H 0.6224 0.1943 0.7536 0.079 Uiso 1 1 calc R . .
C70 C 0.6183(6) 0.4299(4) 0.5800(4) 0.0385(19) Uani 1 1 d . . .
H70 H 0.5517 0.3919 0.5516 0.046 Uiso 1 1 calc R . .
C71 C 0.5619(7) 0.4953(5) 0.6112(5) 0.061(3) Uani 1 1 d . . .
H71A H 0.5029 0.4761 0.6371 0.092 Uiso 1 1 calc R . .
H71B H 0.5211 0.5199 0.5747 0.092 Uiso 1 1 calc R . .
H71C H 0.6254 0.5316 0.6416 0.092 Uiso 1 1 calc R . .
C72 C 0.7040(7) 0.4561(5) 0.5341(4) 0.051(2) Uani 1 1 d . . .
H72A H 0.7756 0.4880 0.5621 0.076 Uiso 1 1 calc R . .
H72B H 0.6621 0.4846 0.5012 0.076 Uiso 1 1 calc R . .
H72C H 0.7287 0.4123 0.5095 0.076 Uiso 1 1 calc R . .
C74 C 0.8308(8) -0.0700(5) -0.1690(5) 0.070(3) Uani 1 1 d . . .
H74A H 0.8570 -0.1086 -0.2001 0.084 Uiso 1 1 calc R . .
H74B H 0.8957 -0.0555 -0.1279 0.084 Uiso 1 1 calc R . .
C75 C 1.2222(10) 0.1444(6) -0.2317(5) 0.095(4) Uani 1 1 d . . .
H75A H 1.1508 0.1708 -0.2308 0.114 Uiso 1 1 calc R . .
H75B H 1.2670 0.1657 -0.2643 0.114 Uiso 1 1 calc R . .
C76 C 0.9424(7) 0.1640(5) -0.0621(5) 0.064(3) Uani 1 1 d . . .
H76A H 0.8610 0.1435 -0.0893 0.077 Uiso 1 1 calc R . .
H76B H 0.9320 0.1952 -0.0203 0.077 Uiso 1 1 calc R . .
N1 N 0.7267(4) 0.2689(3) 0.0901(3) 0.0227(13) Uani 1 1 d . . .
N2 N 0.7915(4) 0.4016(3) 0.1809(3) 0.0228(13) Uani 1 1 d . . .
N3 N 0.3718(5) 0.1873(3) 0.4949(3) 0.0268(13) Uani 1 1 d . . .
N4 N 0.5673(5) 0.2691(3) 0.5891(3) 0.0288(14) Uani 1 1 d . . .
Cl1 Cl 1.07891(15) 0.38746(10) 0.23239(9) 0.0366(5) Uani 1 1 d . . .
Cl2 Cl 1.00779(15) 0.20909(10) 0.12216(10) 0.0399(5) Uani 1 1 d . . .
Cl3 Cl 0.84269(16) 0.25008(10) 0.24308(9) 0.0368(5) Uani 1 1 d . . .
Cl4 Cl 0.95872(14) 0.37025(10) 0.06223(9) 0.0328(4) Uani 1 1 d . . .
Cl5 Cl 0.42820(17) 0.30825(12) 0.71807(10) 0.0512(6) Uani 1 1 d . . .
Cl6 Cl 0.16507(16) 0.19708(12) 0.59684(10) 0.0500(6) Uani 1 1 d . . .
Cl7 Cl 0.43256(17) 0.12983(11) 0.64275(10) 0.0438(5) Uani 1 1 d . . .
Cl8 Cl 0.32089(17) 0.35118(11) 0.55923(10) 0.0462(5) Uani 1 1 d . . .
Cl11 Cl 0.8083(4) 0.00817(17) -0.20916(16) 0.1115(12) Uani 1 1 d . . .
Cl12 Cl 0.7006(3) -0.1067(2) -0.1463(2) 0.1361(14) Uani 1 1 d . . .
Cl13 Cl 1.1744(7) 0.0563(3) -0.2608(2) 0.282(4) Uani 1 1 d . . .
Cl14 Cl 1.3125(3) 0.1637(2) -0.15320(16) 0.1328(15) Uani 1 1 d . . .
Cl15 Cl 1.0204(2) 0.08888(13) -0.03917(14) 0.0730(7) Uani 1 1 d . . .
Cl16 Cl 1.0199(2) 0.21948(14) -0.10880(13) 0.0708(7) Uani 1 1 d . . .
Sn1 Sn 0.91351(4) 0.31327(3) 0.15671(2) 0.02544(15) Uani 1 1 d . . .
Sn2 Sn 0.37262(4) 0.24227(3) 0.60569(2) 0.03536(17) Uani 1 1 d . . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 133.1(6) . . ?
N1 C1 C12 119.9(5) . . ?
C2 C1 C12 106.7(6) . . ?
C3 C2 C11 119.5(6) . . ?
C3 C2 C1 133.8(7) . . ?
C11 C2 C1 106.7(6) . . ?
C2 C3 C4 116.8(7) . . ?
C2 C3 H3 121.6 . . ?
C4 C3 H3 121.6 . . ?
C5 C4 C3 123.8(7) . . ?
C5 C4 H4 118.1 . . ?
C3 C4 H4 118.1 . . ?
C4 C5 C6 120.2(6) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C11 C6 C7 115.4(7) . . ?
C11 C6 C5 116.1(7) . . ?
C7 C6 C5 128.5(7) . . ?
C8 C7 C6 121.7(7) . . ?
C8 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C7 C8 C9 123.1(7) . . ?
C7 C8 H8 118.5 . . ?
C9 C8 H8 118.5 . . ?
C10 C9 C8 117.1(7) . . ?
C10 C9 H9 121.5 . . ?
C8 C9 H9 121.5 . . ?
C9 C10 C11 120.0(6) . . ?
C9 C10 C12 134.2(6) . . ?
C11 C10 C12 105.9(6) . . ?
C6 C11 C2 123.6(7) . . ?
C6 C11 C10 122.7(7) . . ?
C2 C11 C10 113.7(6) . . ?
N2 C12 C10 134.5(6) . . ?
N2 C12 C1 118.0(6) . . ?
C10 C12 C1 107.0(5) . . ?
C14 C13 C18 123.7(6) . . ?
C14 C13 N1 119.5(6) . . ?
C18 C13 N1 116.9(6) . . ?
C13 C14 C15 117.3(7) . . ?
C13 C14 C19 123.8(6) . . ?
C15 C14 C19 118.8(7) . . ?
C16 C15 C14 120.8(7) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C15 120.2(7) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 121.4(7) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 116.6(7) . . ?
C17 C18 C22 117.4(6) . . ?
C13 C18 C22 126.0(6) . . ?
C14 C19 C20 113.5(6) . . ?
C14 C19 C21 110.3(6) . . ?
C20 C19 C21 110.0(6) . . ?
C14 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
C21 C19 H19 107.6 . . ?
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 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 109.0(6) . . ?
C24 C22 C18 110.7(6) . . ?
C23 C22 C18 112.5(6) . . ?
C24 C22 H22 108.2 . . ?
C23 C22 H22 108.2 . . ?
C18 C22 H22 108.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 122.1(6) . . ?
C30 C25 N2 117.7(6) . . ?
C26 C25 N2 120.2(6) . . ?
C27 C26 C25 117.3(7) . . ?
C27 C26 C31 121.3(7) . . ?
C25 C26 C31 121.4(7) . . ?
C28 C27 C26 121.2(8) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C29 120.2(7) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C30 121.6(8) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C29 C30 C25 117.5(7) . . ?
C29 C30 C34 118.6(7) . . ?
C25 C30 C34 123.9(6) . . ?
C26 C31 C33 113.8(7) . . ?
C26 C31 C32 111.3(6) . . ?
C33 C31 C32 109.3(6) . . ?
C26 C31 H31 107.4 . . ?
C33 C31 H31 107.4 . . ?
C32 C31 H31 107.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 C35 112.4(7) . . ?
C36 C34 C30 112.0(6) . . ?
C35 C34 C30 111.2(6) . . ?
C36 C34 H34 107.0 . . ?
C35 C34 H34 107.0 . . ?
C30 C34 H34 107.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N3 C37 C38 135.1(6) . . ?
N3 C37 C48 119.0(6) . . ?
C38 C37 C48 105.8(6) . . ?
C39 C38 C47 119.6(6) . . ?
C39 C38 C37 133.5(7) . . ?
C47 C38 C37 106.7(6) . . ?
C38 C39 C40 117.9(7) . . ?
C38 C39 H39 121.0 . . ?
C40 C39 H39 121.0 . . ?
C41 C40 C39 122.8(7) . . ?
C41 C40 H40 118.6 . . ?
C39 C40 H40 118.6 . . ?
C40 C41 C42 120.2(7) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C47 C42 C41 116.5(7) . . ?
C47 C42 C43 116.1(7) . . ?
C41 C42 C43 127.3(7) . . ?
C44 C43 C42 120.5(7) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 123.1(7) . . ?
C43 C44 H44 118.4 . . ?
C45 C44 H44 118.4 . . ?
C46 C45 C44 117.7(7) . . ?
C46 C45 H45 121.1 . . ?
C44 C45 H45 121.1 . . ?
C45 C46 C47 119.4(6) . . ?
C45 C46 C48 134.4(6) . . ?
C47 C46 C48 106.2(6) . . ?
C42 C47 C38 122.8(6) . . ?
C42 C47 C46 123.2(7) . . ?
C38 C47 C46 114.0(6) . . ?
N4 C48 C46 133.4(6) . . ?
N4 C48 C37 119.3(6) . . ?
C46 C48 C37 107.3(6) . . ?
C50 C49 C54 122.5(6) . . ?
C50 C49 N3 118.9(6) . . ?
C54 C49 N3 118.6(6) . . ?
C49 C50 C51 116.9(7) . . ?
C49 C50 C55 125.4(6) . . ?
C51 C50 C55 117.7(7) . . ?
C52 C51 C50 123.5(8) . . ?
C52 C51 H51 118.2 . . ?
C50 C51 H51 118.2 . . ?
C51 C52 C53 118.1(7) . . ?
C51 C52 H52 120.9 . . ?
C53 C52 H52 120.9 . . ?
C52 C53 C54 123.5(8) . . ?
C52 C53 H53 118.3 . . ?
C54 C53 H53 118.3 . . ?
C53 C54 C49 115.4(7) . . ?
C53 C54 C58 121.1(7) . . ?
C49 C54 C58 123.3(7) . . ?
C50 C55 C57 109.6(6) . . ?
C50 C55 C56 111.9(6) . . ?
C57 C55 C56 110.8(6) . . ?
C50 C55 H55 108.1 . . ?
C57 C55 H55 108.1 . . ?
C56 C55 H55 108.1 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C60 C58 C59 109.7(8) . . ?
C60 C58 C54 111.9(8) . . ?
C59 C58 C54 114.2(11) . . ?
C60 C58 H58 106.9 . . ?
C59 C58 H58 106.9 . . ?
C54 C58 H58 106.9 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C66 C61 C62 122.4(6) . . ?
C66 C61 N4 117.6(6) . . ?
C62 C61 N4 120.0(6) . . ?
C63 C62 C61 116.4(7) . . ?
C63 C62 C67 119.5(7) . . ?
C61 C62 C67 124.1(6) . . ?
C64 C63 C62 123.2(7) . . ?
C64 C63 H63 118.4 . . ?
C62 C63 H63 118.4 . . ?
C63 C64 C65 118.4(7) . . ?
C63 C64 H64 120.8 . . ?
C65 C64 H64 120.8 . . ?
C64 C65 C66 123.0(8) . . ?
C64 C65 H65 118.5 . . ?
C66 C65 H65 118.5 . . ?
C65 C66 C61 116.4(7) . . ?
C65 C66 C70 119.1(7) . . ?
C61 C66 C70 124.4(6) . . ?
C62 C67 C68 112.1(6) . . ?
C62 C67 C69 111.3(6) . . ?
C68 C67 C69 109.1(6) . . ?
C62 C67 H67 108.1 . . ?
C68 C67 H67 108.1 . . ?
C69 C67 H67 108.1 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C66 C70 C71 110.4(6) . . ?
C66 C70 C72 110.0(6) . . ?
C71 C70 C72 111.5(7) . . ?
C66 C70 H70 108.3 . . ?
C71 C70 H70 108.3 . . ?
C72 C70 H70 108.3 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
Cl12 C74 Cl11 110.8(5) . . ?
Cl12 C74 H74A 109.5 . . ?
Cl11 C74 H74A 109.5 . . ?
Cl12 C74 H74B 109.5 . . ?
Cl11 C74 H74B 109.5 . . ?
H74A C74 H74B 108.1 . . ?
Cl13 C75 Cl14 116.4(7) . . ?
Cl13 C75 H75A 108.2 . . ?
Cl14 C75 H75A 108.2 . . ?
Cl13 C75 H75B 108.2 . . ?
Cl14 C75 H75B 108.2 . . ?
H75A C75 H75B 107.3 . . ?
Cl16 C76 Cl15 111.6(4) . . ?
Cl16 C76 H76A 109.3 . . ?
Cl15 C76 H76A 109.3 . . ?
Cl16 C76 H76B 109.3 . . ?
Cl15 C76 H76B 109.3 . . ?
H76A C76 H76B 108.0 . . ?
C1 N1 C13 117.6(5) . . ?
C1 N1 Sn1 111.9(4) . . ?
C13 N1 Sn1 130.2(4) . . ?
C12 N2 C25 116.1(5) . . ?
C12 N2 Sn1 113.0(4) . . ?
C25 N2 Sn1 130.9(4) . . ?
C37 N3 C49 118.6(6) . . ?
C37 N3 Sn2 113.3(4) . . ?
C49 N3 Sn2 128.0(4) . . ?
C48 N4 C61 120.1(5) . . ?
C48 N4 Sn2 114.0(4) . . ?
C61 N4 Sn2 125.9(4) . . ?
N1 Sn1 N2 74.34(18) . . ?
N1 Sn1 Cl1 164.29(14) . . ?
N2 Sn1 Cl1 90.02(14) . . ?
N1 Sn1 Cl2 96.01(14) . . ?
N2 Sn1 Cl2 170.13(13) . . ?
Cl1 Sn1 Cl2 99.68(7) . . ?
N1 Sn1 Cl4 86.68(14) . . ?
N2 Sn1 Cl4 91.37(13) . . ?
Cl1 Sn1 Cl4 92.37(7) . . ?
Cl2 Sn1 Cl4 90.07(7) . . ?
N1 Sn1 Cl3 85.99(14) . . ?
N2 Sn1 Cl3 86.54(14) . . ?
Cl1 Sn1 Cl3 94.67(7) . . ?
Cl2 Sn1 Cl3 90.81(7) . . ?
Cl4 Sn1 Cl3 172.66(6) . . ?
N4 Sn2 N3 73.88(19) . . ?
N4 Sn2 Cl5 90.87(14) . . ?
N3 Sn2 Cl5 164.75(14) . . ?
N4 Sn2 Cl6 166.33(14) . . ?
N3 Sn2 Cl6 92.52(14) . . ?
Cl5 Sn2 Cl6 102.73(7) . . ?
N4 Sn2 Cl8 90.19(15) . . ?
N3 Sn2 Cl8 87.35(14) . . ?
Cl5 Sn2 Cl8 92.67(8) . . ?
Cl6 Sn2 Cl8 90.56(8) . . ?
N4 Sn2 Cl7 86.26(15) . . ?
N3 Sn2 Cl7 87.54(14) . . ?
Cl5 Sn2 Cl7 91.67(8) . . ?
Cl6 Sn2 Cl7 91.89(7) . . ?
Cl8 Sn2 Cl7 174.43(7) . . ?
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 N1 1.291(8) . ?
C1 C2 1.461(9) . ?
C1 C12 1.527(9) . ?
C2 C3 1.392(9) . ?
C2 C11 1.410(9) . ?
C3 C4 1.420(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.421(10) . ?
C5 H5 0.9500 . ?
C6 C11 1.402(9) . ?
C6 C7 1.413(10) . ?
C7 C8 1.367(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.404(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.428(9) . ?
C10 C12 1.464(9) . ?
C12 N2 1.286(8) . ?
C13 C14 1.384(9) . ?
C13 C18 1.394(9) . ?
C13 N1 1.463(8) . ?
C14 C15 1.392(9) . ?
C14 C19 1.512(10) . ?
C15 C16 1.381(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(9) . ?
C17 H17 0.9500 . ?
C18 C22 1.556(9) . ?
C19 C20 1.516(10) . ?
C19 C21 1.536(10) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.524(9) . ?
C22 C23 1.534(9) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.397(9) . ?
C25 C26 1.415(10) . ?
C25 N2 1.463(8) . ?
C26 C27 1.387(10) . ?
C26 C31 1.503(10) . ?
C27 C28 1.373(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.383(10) . ?
C29 H29 0.9500 . ?
C30 C34 1.539(10) . ?
C31 C33 1.534(10) . ?
C31 C32 1.553(10) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.500(10) . ?
C34 C35 1.535(10) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 N3 1.278(8) . ?
C37 C38 1.475(9) . ?
C37 C48 1.536(9) . ?
C38 C39 1.368(9) . ?
C38 C47 1.410(9) . ?
C39 C40 1.414(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.363(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.419(10) . ?
C41 H41 0.9500 . ?
C42 C47 1.394(9) . ?
C42 C43 1.424(10) . ?
C43 C44 1.364(10) . ?
C43 H43 0.9500 . ?
C44 C45 1.409(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.378(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.418(9) . ?
C46 C48 1.462(9) . ?
C48 N4 1.284(8) . ?
C49 C50 1.390(9) . ?
C49 C54 1.414(9) . ?
C49 N3 1.455(8) . ?
C50 C51 1.394(9) . ?
C50 C55 1.505(9) . ?
C51 C52 1.352(10) . ?
C51 H51 0.9500 . ?
C52 C53 1.368(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.408(11) . ?
C53 H53 0.9500 . ?
C54 C58 1.507(12) . ?
C55 C57 1.532(9) . ?
C55 C56 1.537(10) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C60 1.497(14) . ?
C58 C59 1.507(15) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C66 1.399(10) . ?
C61 C62 1.403(9) . ?
C61 N4 1.472(8) . ?
C62 C63 1.377(10) . ?
C62 C67 1.504(10) . ?
C63 C64 1.363(10) . ?
C63 H63 0.9500 . ?
C64 C65 1.367(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.380(9) . ?
C65 H65 0.9500 . ?
C66 C70 1.513(10) . ?
C67 C68 1.525(9) . ?
C67 C69 1.534(10) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.534(10) . ?
C70 C72 1.538(10) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C74 Cl12 1.714(9) . ?
C74 Cl11 1.738(9) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 Cl13 1.626(11) . ?
C75 Cl14 1.696(10) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 Cl16 1.735(9) . ?
C76 Cl15 1.771(8) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
N1 Sn1 2.293(5) . ?
N2 Sn1 2.300(5) . ?
N3 Sn2 2.332(5) . ?
N4 Sn2 2.302(5) . ?
Cl1 Sn1 2.3530(18) . ?
Cl2 Sn1 2.3700(18) . ?
Cl3 Sn1 2.4065(19) . ?
Cl4 Sn1 2.3852(18) . ?
Cl5 Sn2 2.3684(19) . ?
Cl6 Sn2 2.372(2) . ?
Cl7 Sn2 2.386(2) . ?
Cl8 Sn2 2.377(2) . ?
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 7.5(14) . . . . ?
C12 C1 C2 C3 -178.9(7) . . . . ?
N1 C1 C2 C11 -171.5(7) . . . . ?
C12 C1 C2 C11 2.1(7) . . . . ?
C11 C2 C3 C4 0.3(10) . . . . ?
C1 C2 C3 C4 -178.6(7) . . . . ?
C2 C3 C4 C5 0.0(11) . . . . ?
C3 C4 C5 C6 -0.9(12) . . . . ?
C4 C5 C6 C11 1.3(11) . . . . ?
C4 C5 C6 C7 179.2(7) . . . . ?
C11 C6 C7 C8 -0.9(11) . . . . ?
C5 C6 C7 C8 -178.8(7) . . . . ?
C6 C7 C8 C9 0.4(12) . . . . ?
C7 C8 C9 C10 -0.5(11) . . . . ?
C8 C9 C10 C11 1.0(10) . . . . ?
C8 C9 C10 C12 -180.0(7) . . . . ?
C7 C6 C11 C2 -179.1(7) . . . . ?
C5 C6 C11 C2 -0.9(11) . . . . ?
C7 C6 C11 C10 1.4(11) . . . . ?
C5 C6 C11 C10 179.6(7) . . . . ?
C3 C2 C11 C6 0.1(11) . . . . ?
C1 C2 C11 C6 179.3(7) . . . . ?
C3 C2 C11 C10 179.7(6) . . . . ?
C1 C2 C11 C10 -1.2(8) . . . . ?
C9 C10 C11 C6 -1.5(11) . . . . ?
C12 C10 C11 C6 179.2(6) . . . . ?
C9 C10 C11 C2 178.9(6) . . . . ?
C12 C10 C11 C2 -0.4(8) . . . . ?
C9 C10 C12 N2 -5.8(14) . . . . ?
C11 C10 C12 N2 173.3(7) . . . . ?
C9 C10 C12 C1 -177.5(8) . . . . ?
C11 C10 C12 C1 1.7(7) . . . . ?
N1 C1 C12 N2 -1.0(9) . . . . ?
C2 C1 C12 N2 -175.6(6) . . . . ?
N1 C1 C12 C10 172.2(6) . . . . ?
C2 C1 C12 C10 -2.4(7) . . . . ?
C18 C13 C14 C15 -2.9(10) . . . . ?
N1 C13 C14 C15 176.0(6) . . . . ?
C18 C13 C14 C19 -178.7(6) . . . . ?
N1 C13 C14 C19 0.2(10) . . . . ?
C13 C14 C15 C16 0.9(10) . . . . ?
C19 C14 C15 C16 177.0(7) . . . . ?
C14 C15 C16 C17 -0.3(11) . . . . ?
C15 C16 C17 C18 1.5(11) . . . . ?
C16 C17 C18 C13 -3.1(10) . . . . ?
C16 C17 C18 C22 177.4(6) . . . . ?
C14 C13 C18 C17 3.9(10) . . . . ?
N1 C13 C18 C17 -175.0(5) . . . . ?
C14 C13 C18 C22 -176.6(6) . . . . ?
N1 C13 C18 C22 4.4(9) . . . . ?
C13 C14 C19 C20 -143.1(7) . . . . ?
C15 C14 C19 C20 41.1(9) . . . . ?
C13 C14 C19 C21 93.0(8) . . . . ?
C15 C14 C19 C21 -82.8(8) . . . . ?
C17 C18 C22 C24 -59.3(8) . . . . ?
C13 C18 C22 C24 121.3(7) . . . . ?
C17 C18 C22 C23 63.0(8) . . . . ?
C13 C18 C22 C23 -116.4(7) . . . . ?
C30 C25 C26 C27 2.9(10) . . . . ?
N2 C25 C26 C27 -173.5(6) . . . . ?
C30 C25 C26 C31 -178.6(6) . . . . ?
N2 C25 C26 C31 5.0(10) . . . . ?
C25 C26 C27 C28 -0.2(11) . . . . ?
C31 C26 C27 C28 -178.8(7) . . . . ?
C26 C27 C28 C29 -2.5(12) . . . . ?
C27 C28 C29 C30 2.7(11) . . . . ?
C28 C29 C30 C25 -0.1(10) . . . . ?
C28 C29 C30 C34 179.7(6) . . . . ?
C26 C25 C30 C29 -2.7(10) . . . . ?
N2 C25 C30 C29 173.8(6) . . . . ?
C26 C25 C30 C34 177.5(6) . . . . ?
N2 C25 C30 C34 -6.0(9) . . . . ?
C27 C26 C31 C33 -34.9(10) . . . . ?
C25 C26 C31 C33 146.6(7) . . . . ?
C27 C26 C31 C32 89.2(8) . . . . ?
C25 C26 C31 C32 -89.3(8) . . . . ?
C29 C30 C34 C36 -63.8(8) . . . . ?
C25 C30 C34 C36 116.0(8) . . . . ?
C29 C30 C34 C35 62.9(8) . . . . ?
C25 C30 C34 C35 -117.3(7) . . . . ?
N3 C37 C38 C39 -7.2(14) . . . . ?
C48 C37 C38 C39 176.5(8) . . . . ?
N3 C37 C38 C47 177.0(8) . . . . ?
C48 C37 C38 C47 0.8(7) . . . . ?
C47 C38 C39 C40 -1.3(11) . . . . ?
C37 C38 C39 C40 -176.6(7) . . . . ?
C38 C39 C40 C41 -0.3(12) . . . . ?
C39 C40 C41 C42 0.5(12) . . . . ?
C40 C41 C42 C47 0.8(11) . . . . ?
C40 C41 C42 C43 177.5(8) . . . . ?
C47 C42 C43 C44 0.5(11) . . . . ?
C41 C42 C43 C44 -176.2(7) . . . . ?
C42 C43 C44 C45 -0.7(12) . . . . ?
C43 C44 C45 C46 -0.3(11) . . . . ?
C44 C45 C46 C47 1.5(10) . . . . ?
C44 C45 C46 C48 178.2(7) . . . . ?
C41 C42 C47 C38 -2.4(10) . . . . ?
C43 C42 C47 C38 -179.5(7) . . . . ?
C41 C42 C47 C46 177.8(7) . . . . ?
C43 C42 C47 C46 0.8(10) . . . . ?
C39 C38 C47 C42 2.7(11) . . . . ?
C37 C38 C47 C42 179.1(6) . . . . ?
C39 C38 C47 C46 -177.5(7) . . . . ?
C37 C38 C47 C46 -1.1(8) . . . . ?
C45 C46 C47 C42 -1.8(11) . . . . ?
C48 C46 C47 C42 -179.3(6) . . . . ?
C45 C46 C47 C38 178.4(6) . . . . ?
C48 C46 C47 C38 0.8(8) . . . . ?
C45 C46 C48 N4 3.2(14) . . . . ?
C47 C46 C48 N4 -179.8(7) . . . . ?
C45 C46 C48 C37 -177.3(7) . . . . ?
C47 C46 C48 C37 -0.3(7) . . . . ?
N3 C37 C48 N4 2.3(10) . . . . ?
C38 C37 C48 N4 179.3(6) . . . . ?
N3 C37 C48 C46 -177.3(6) . . . . ?
C38 C37 C48 C46 -0.3(7) . . . . ?
C54 C49 C50 C51 1.2(10) . . . . ?
N3 C49 C50 C51 -179.8(6) . . . . ?
C54 C49 C50 C55 -178.8(6) . . . . ?
N3 C49 C50 C55 0.2(10) . . . . ?
C49 C50 C51 C52 -0.3(11) . . . . ?
C55 C50 C51 C52 179.7(7) . . . . ?
C50 C51 C52 C53 -0.2(12) . . . . ?
C51 C52 C53 C54 -0.1(12) . . . . ?
C52 C53 C54 C49 0.9(11) . . . . ?
C52 C53 C54 C58 -175.3(9) . . . . ?
C50 C49 C54 C53 -1.5(10) . . . . ?
N3 C49 C54 C53 179.6(6) . . . . ?
C50 C49 C54 C58 174.6(8) . . . . ?
N3 C49 C54 C58 -4.4(11) . . . . ?
C49 C50 C55 C57 -118.5(7) . . . . ?
C51 C50 C55 C57 61.5(8) . . . . ?
C49 C50 C55 C56 118.1(8) . . . . ?
C51 C50 C55 C56 -61.9(9) . . . . ?
C53 C54 C58 C60 74.3(11) . . . . ?
C49 C54 C58 C60 -101.6(9) . . . . ?
C53 C54 C58 C59 -51.1(12) . . . . ?
C49 C54 C58 C59 133.0(9) . . . . ?
C66 C61 C62 C63 5.9(10) . . . . ?
N4 C61 C62 C63 -175.1(6) . . . . ?
C66 C61 C62 C67 -173.3(6) . . . . ?
N4 C61 C62 C67 5.7(10) . . . . ?
C61 C62 C63 C64 -2.2(11) . . . . ?
C67 C62 C63 C64 177.1(7) . . . . ?
C62 C63 C64 C65 -2.1(12) . . . . ?
C63 C64 C65 C66 3.1(12) . . . . ?
C64 C65 C66 C61 0.4(11) . . . . ?
C64 C65 C66 C70 -175.5(7) . . . . ?
C62 C61 C66 C65 -5.1(10) . . . . ?
N4 C61 C66 C65 175.9(6) . . . . ?
C62 C61 C66 C70 170.6(6) . . . . ?
N4 C61 C66 C70 -8.5(10) . . . . ?
C63 C62 C67 C68 -55.9(9) . . . . ?
C61 C62 C67 C68 123.3(7) . . . . ?
C63 C62 C67 C69 66.6(8) . . . . ?
C61 C62 C67 C69 -114.2(8) . . . . ?
C65 C66 C70 C71 -56.4(9) . . . . ?
C61 C66 C70 C71 128.1(7) . . . . ?
C65 C66 C70 C72 67.0(8) . . . . ?
C61 C66 C70 C72 -108.5(8) . . . . ?
C2 C1 N1 C13 11.8(11) . . . . ?
C12 C1 N1 C13 -161.1(6) . . . . ?
C2 C1 N1 Sn1 -173.7(6) . . . . ?
C12 C1 N1 Sn1 13.4(7) . . . . ?
C14 C13 N1 C1 -110.0(7) . . . . ?
C18 C13 N1 C1 69.0(8) . . . . ?
C14 C13 N1 Sn1 76.8(7) . . . . ?
C18 C13 N1 Sn1 -104.3(6) . . . . ?
C10 C12 N2 C25 -4.4(11) . . . . ?
C1 C12 N2 C25 166.6(5) . . . . ?
C10 C12 N2 Sn1 177.1(6) . . . . ?
C1 C12 N2 Sn1 -12.0(7) . . . . ?
C30 C25 N2 C12 -79.4(7) . . . . ?
C26 C25 N2 C12 97.2(7) . . . . ?
C30 C25 N2 Sn1 98.9(6) . . . . ?
C26 C25 N2 Sn1 -84.6(7) . . . . ?
C38 C37 N3 C49 -5.3(12) . . . . ?
C48 C37 N3 C49 170.5(6) . . . . ?
C38 C37 N3 Sn2 177.3(7) . . . . ?
C48 C37 N3 Sn2 -6.8(8) . . . . ?
C50 C49 N3 C37 -77.4(8) . . . . ?
C54 C49 N3 C37 101.6(8) . . . . ?
C50 C49 N3 Sn2 99.5(7) . . . . ?
C54 C49 N3 Sn2 -81.5(7) . . . . ?
C46 C48 N4 C61 1.3(11) . . . . ?
C37 C48 N4 C61 -178.2(6) . . . . ?
C46 C48 N4 Sn2 -176.8(6) . . . . ?
C37 C48 N4 Sn2 3.7(8) . . . . ?
C66 C61 N4 C48 92.5(8) . . . . ?
C62 C61 N4 C48 -86.5(8) . . . . ?
C66 C61 N4 Sn2 -89.6(7) . . . . ?
C62 C61 N4 Sn2 91.3(7) . . . . ?
C1 N1 Sn1 N2 -14.1(4) . . . . ?
C13 N1 Sn1 N2 159.5(6) . . . . ?
C1 N1 Sn1 Cl1 -19.5(8) . . . . ?
C13 N1 Sn1 Cl1 154.1(5) . . . . ?
C1 N1 Sn1 Cl2 163.9(4) . . . . ?
C13 N1 Sn1 Cl2 -22.6(5) . . . . ?
C1 N1 Sn1 Cl4 -106.4(4) . . . . ?
C13 N1 Sn1 Cl4 67.2(5) . . . . ?
C1 N1 Sn1 Cl3 73.5(4) . . . . ?
C13 N1 Sn1 Cl3 -113.0(5) . . . . ?
C12 N2 Sn1 N1 13.8(4) . . . . ?
C25 N2 Sn1 N1 -164.5(6) . . . . ?
C12 N2 Sn1 Cl1 -167.7(4) . . . . ?
C25 N2 Sn1 Cl1 14.0(5) . . . . ?
C12 N2 Sn1 Cl4 100.0(4) . . . . ?
C25 N2 Sn1 Cl4 -78.3(5) . . . . ?
C12 N2 Sn1 Cl3 -73.0(4) . . . . ?
C25 N2 Sn1 Cl3 108.7(5) . . . . ?
C48 N4 Sn2 N3 -5.2(5) . . . . ?
C61 N4 Sn2 N3 176.9(6) . . . . ?
C48 N4 Sn2 Cl5 175.0(5) . . . . ?
C61 N4 Sn2 Cl5 -3.0(5) . . . . ?
C48 N4 Sn2 Cl6 0.8(10) . . . . ?
C61 N4 Sn2 Cl6 -177.2(5) . . . . ?
C48 N4 Sn2 Cl8 -92.3(5) . . . . ?
C61 N4 Sn2 Cl8 89.7(5) . . . . ?
C48 N4 Sn2 Cl7 83.4(5) . . . . ?
C61 N4 Sn2 Cl7 -94.6(5) . . . . ?
C37 N3 Sn2 N4 6.4(5) . . . . ?
C49 N3 Sn2 N4 -170.7(5) . . . . ?
C37 N3 Sn2 Cl5 6.8(9) . . . . ?
C49 N3 Sn2 Cl5 -170.2(4) . . . . ?
C37 N3 Sn2 Cl6 -172.2(5) . . . . ?
C49 N3 Sn2 Cl6 10.7(5) . . . . ?
C37 N3 Sn2 Cl8 97.3(5) . . . . ?
C49 N3 Sn2 Cl8 -79.7(5) . . . . ?
C37 N3 Sn2 Cl7 -80.5(5) . . . . ?
C49 N3 Sn2 Cl7 102.5(5) . . . . ?
