#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/21/2222188.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_2222188
loop_
_publ_author_name
'Tan, Chui Lian'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
Dichloridobis(2-chlorobenzyl-κC)[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ²N²,N³]tin(IV)
_journal_coeditor_code           XU2527
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m694
_journal_paper_doi               10.1107/S1600536809019242
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sn (C7 H6 Cl)2 Cl2 (C20 H14 N4)]'
_chemical_formula_moiety         'C34 H26 Cl4 N4 Sn'
_chemical_formula_sum            'C34 H26 Cl4 N4 Sn'
_chemical_formula_weight         751.08
_chemical_name_systematic
;
Dichloridobis(2-chlorobenzyl-κC)[5,6-diphenyl-3-(2-pyridyl)-
1,2,4-triazine-κ²N²,N³]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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.0440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.3421(4)
_cell_length_b                   9.95210(10)
_cell_length_c                   21.0742(3)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.3
_cell_volume                     6284.75(14)
_computing_cell_refinement       'APEX2 (Bruker, 2007) [SMART?]'
_computing_data_collection
'APEX2 (Bruker, 2007) [SMART software with SMART APEX machine?]'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            58928
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.68
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_T_max  0.7176
_exptl_absorpt_correction_T_min  0.6486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.399
_refine_diff_density_min         -0.794
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         14419
_refine_ls_number_restraints     128
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.05P)²+5P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                12295
_reflns_number_total             14419
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            xu2527.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222188
_cod_database_fobs_code          2222188
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.337678(7) 0.85029(2) 0.245879(10) 0.02394(6) Uani d . 1 . .
Sn Sn2 0.115732(6) 0.468724(17) 0.150816(8) 0.01496(5) Uani d . 1 C .
Cl Cl1 0.4189(2) 0.5202(6) 0.3582(3) 0.0792(14) Uani d PDU 0.50 A 1
Cl Cl1' 0.4120(2) 0.5487(7) 0.3809(3) 0.121(3) Uani d PDU 0.50 B 2
Cl Cl2 0.25217(3) 0.57651(10) 0.09862(4) 0.0409(2) Uani d . 1 . .
Cl Cl3 0.37108(3) 1.05914(8) 0.21457(5) 0.0419(2) Uani d . 1 . .
Cl Cl4 0.28992(3) 0.95136(9) 0.30908(4) 0.0401(2) Uani d . 1 . .
Cl Cl5 0.09515(3) 0.25073(10) -0.02284(4) 0.0269(3) Uani d PDU 0.778(2) C 3
Cl Cl5' 0.21414(12) 0.1384(4) 0.19930(17) 0.0424(12) Uani d PDU 0.222(2) C 4
Cl Cl6 0.06462(3) 0.37633(10) 0.31987(4) 0.0399(2) Uani d . 1 C .
Cl Cl7 0.17737(2) 0.62965(7) 0.19768(3) 0.02471(14) Uani d . 1 . .
Cl Cl8 0.07577(2) 0.58752(7) 0.04745(3) 0.02630(15) Uani d . 1 . .
N N1 0.31418(8) 0.6252(2) 0.26478(11) 0.0232(5) Uani d . 1 . .
N N2 0.37008(8) 0.6853(2) 0.19349(11) 0.0215(5) Uani d . 1 . .
N N3 0.39714(8) 0.7224(2) 0.15831(12) 0.0222(5) Uani d . 1 . .
N N4 0.36586(8) 0.4630(2) 0.15341(12) 0.0236(5) Uani d . 1 . .
N N5 0.06326(7) 0.2843(2) 0.12295(10) 0.0170(4) Uani d . 1 . .
N N6 0.13203(7) 0.2986(2) 0.23490(10) 0.0164(4) Uani d . 1 . .
N N7 0.16371(7) 0.3167(2) 0.29263(10) 0.0168(4) Uani d . 1 . .
N N8 0.12132(7) 0.0720(2) 0.26044(10) 0.0176(4) Uani d . 1 . .
C C1 0.39403(11) 0.8287(4) 0.33495(16) 0.0400(8) Uani d D 1 . .
H H1A 0.4007 0.9178 0.3565 0.048 Uiso calc PR 0.50 D 1
H H1B 0.3850 0.7684 0.3661 0.048 Uiso calc PR 0.50 D 1
H H1C 0.4008 0.9181 0.3561 0.048 Uiso calc PR 0.50 D 2
H H1D 0.3848 0.7696 0.3664 0.048 Uiso calc PR 0.50 D 2
C C2 0.4366(4) 0.7738(8) 0.3242(8) 0.0403(8) Uani d PGDU 0.50 A 1
C C3 0.4495(2) 0.6396(7) 0.3311(3) 0.0553(16) Uani d PGDU 0.50 A 1
C C4 0.4881(3) 0.5992(6) 0.3167(5) 0.054(2) Uani d PGDU 0.50 A 1
H H4 0.4969 0.5075 0.3214 0.065 Uiso calc PR 0.50 A 1
C C5 0.5138(3) 0.6929(8) 0.2953(6) 0.061(3) Uani d PGDU 0.50 A 1
H H5 0.5402 0.6653 0.2855 0.073 Uiso calc PR 0.50 A 1
C C6 0.5009(3) 0.8270(6) 0.2884(6) 0.053(2) Uani d PGDU 0.50 A 1
H H6 0.5185 0.8911 0.2738 0.063 Uiso calc PR 0.50 A 1
C C7 0.4623(4) 0.8675(6) 0.3028(9) 0.0396(15) Uani d PGDU 0.50 A 1
H H7 0.4535 0.9591 0.2981 0.048 Uiso calc PR 0.50 A 1
C C2' 0.4366(4) 0.7723(9) 0.3252(8) 0.0403(8) Uani d PGD 0.50 B 2
C C3' 0.4454(2) 0.6389(8) 0.3439(3) 0.0553(16) Uani d PGD 0.50 B 2
C C4' 0.4823(3) 0.5748(7) 0.3336(5) 0.054(2) Uani d PGD 0.50 B 2
H H4' 0.4883 0.4836 0.3464 0.065 Uiso calc PR 0.50 B 2
C C5' 0.5102(3) 0.6441(8) 0.3046(6) 0.061(3) Uani d PGD 0.50 B 2
H H5' 0.5354 0.6004 0.2976 0.073 Uiso calc PR 0.50 B 2
C C6' 0.5014(3) 0.7776(7) 0.2859(6) 0.053(2) Uani d PGD 0.50 B 2
H H6' 0.5205 0.8250 0.2661 0.063 Uiso calc PR 0.50 B 2
C C7' 0.4645(4) 0.8417(7) 0.2962(9) 0.0396(15) Uani d PGD 0.50 B 2
H H7' 0.4585 0.9329 0.2834 0.048 Uiso calc PR 0.50 B 2
C C8 0.28281(11) 0.8601(3) 0.15484(15) 0.0295(7) Uani d . 1 . .
H H8A 0.2583 0.8034 0.1607 0.035 Uiso calc R 1 A .
H H8B 0.2718 0.9538 0.1491 0.035 Uiso calc R 1 . .
C C9 0.29205(7) 0.81706(19) 0.09063(7) 0.0249(6) Uani d G 1 A .
C C10 0.27806(6) 0.69252(17) 0.06227(9) 0.0260(6) Uani d G 1 . .
C C11 0.28485(7) 0.65793(15) 0.00206(9) 0.0300(7) Uani d G 1 A .
H H11 0.2753 0.5728 -0.0173 0.036 Uiso calc R 1 . .
C C12 0.30564(7) 0.74788(19) -0.02978(7) 0.0291(6) Uani d G 1 . .
H H12 0.3103 0.7242 -0.0709 0.035 Uiso calc R 1 A .
C C13 0.31963(7) 0.87241(18) -0.00141(9) 0.0330(7) Uani d G 1 A .
H H13 0.3338 0.9339 -0.0232 0.040 Uiso calc R 1 . .
C C14 0.31283(7) 0.90701(15) 0.05880(9) 0.0305(7) Uani d G 1 . .
H H14 0.3224 0.9921 0.0782 0.037 Uiso calc R 1 A .
C C15 0.28733(10) 0.5980(3) 0.30197(14) 0.0278(6) Uani d . 1 . .
H H15 0.2750 0.6707 0.3200 0.033 Uiso calc R 1 . .
C C16 0.27668(11) 0.4680(4) 0.31529(16) 0.0352(7) Uani d . 1 . .
H H16 0.2579 0.4520 0.3426 0.042 Uiso calc R 1 . .
C C17 0.29383(12) 0.3624(4) 0.28822(17) 0.0367(8) Uani d . 1 . .
H H17 0.2873 0.2724 0.2973 0.044 Uiso calc R 1 . .
C C18 0.32066(11) 0.3883(3) 0.24760(15) 0.0311(7) Uani d . 1 . .
H H18 0.3323 0.3170 0.2276 0.037 Uiso calc R 1 . .
C C19 0.33003(10) 0.5215(3) 0.23706(14) 0.0240(6) Uani d . 1 . .
C C20 0.35760(9) 0.5572(3) 0.19343(13) 0.0213(6) Uani d . 1 . .
C C21 0.40822(9) 0.6320(3) 0.11932(14) 0.0211(5) Uani d . 1 . .
C C22 0.38876(9) 0.5015(3) 0.11261(14) 0.0207(5) Uani d . 1 . .
C C23 0.44094(6) 0.6784(2) 0.08617(11) 0.0254(6) Uani d G 1 . .
C C24 0.47436(7) 0.59355(18) 0.07872(13) 0.0377(8) Uani d G 1 . .
H H24 0.4762 0.5039 0.0948 0.045 Uiso calc R 1 . .
C C25 0.50510(7) 0.6399(2) 0.04782(14) 0.0536(11) Uani d G 1 . .
H H25 0.5279 0.5818 0.0427 0.064 Uiso calc R 1 . .
C C26 0.50240(8) 0.7711(3) 0.02436(15) 0.0614(13) Uani d G 1 . .
H H26 0.5234 0.8027 0.0032 0.074 Uiso calc R 1 . .
C C27 0.46898(9) 0.8560(2) 0.03180(15) 0.0652(13) Uani d G 1 . .
H H27 0.4671 0.9456 0.0158 0.078 Uiso calc R 1 . .
C C28 0.43825(7) 0.8096(2) 0.06271(14) 0.0450(9) Uani d G 1 . .
H H28 0.4154 0.8677 0.0678 0.054 Uiso calc R 1 . .
C C29 0.38923(7) 0.40531(16) 0.05922(8) 0.0221(6) Uani d G 1 . .
C C30 0.38156(7) 0.44915(14) -0.00579(9) 0.0264(6) Uani d G 1 . .
H H30 0.3798 0.5426 -0.0154 0.032 Uiso calc R 1 . .
C C31 0.37653(7) 0.3563(2) -0.05672(7) 0.0345(7) Uani d G 1 . .
H H31 0.3713 0.3862 -0.1011 0.041 Uiso calc R 1 . .
C C32 0.37917(8) 0.21954(18) -0.04264(9) 0.0392(8) Uani d G 1 . .
H H32 0.3757 0.1561 -0.0774 0.047 Uiso calc R 1 . .
C C33 0.38684(8) 0.17569(13) 0.02237(10) 0.0363(8) Uani d G 1 . .
H H33 0.3886 0.0822 0.0320 0.044 Uiso calc R 1 . .
C C34 0.39187(7) 0.26858(17) 0.07330(7) 0.0280(6) Uani d G 1 . .
H H34 0.3971 0.2386 0.1177 0.034 Uiso calc R 1 . .
C C35 0.16054(9) 0.3571(3) 0.10712(14) 0.0204(5) Uani d D 1 . .
H H35A 0.1576 0.3964 0.0629 0.025 Uiso calc PR 0.778(2) C 3
H H35B 0.1915 0.3742 0.1349 0.025 Uiso calc PR 0.778(2) C 3
H H35C 0.1622 0.4056 0.0669 0.025 Uiso d PR 0.222(2) C 4
H H35D 0.1908 0.3581 0.1392 0.025 Uiso d PR 0.222(2) C 4
C C36 0.15491(9) 0.20565(15) 0.09827(12) 0.0188(6) Uani d PGDU 0.778(2) C 3
C C37 0.12506(7) 0.1509(2) 0.04190(10) 0.0185(7) Uani d PGDU 0.778(2) C 3
C C38 0.11928(7) 0.0124(2) 0.03626(10) 0.0228(7) Uani d PGDU 0.778(2) C 3
H H38 0.0989 -0.0250 -0.0023 0.027 Uiso calc PR 0.778(2) C 3
C C39 0.14334(9) -0.07120(15) 0.08700(13) 0.0270(9) Uani d PGDU 0.778(2) C 3
H H39 0.1394 -0.1658 0.0831 0.032 Uiso calc PR 0.778(2) C 3
C C40 0.17319(8) -0.0164(2) 0.14337(10) 0.0263(8) Uani d PGDU 0.778(2) C 3
H H40 0.1896 -0.0736 0.1780 0.032 Uiso calc PR 0.778(2) C 3
C C41 0.17897(8) 0.1220(2) 0.14900(10) 0.0237(8) Uani d PGDU 0.778(2) C 3
H H41 0.1994 0.1594 0.1875 0.028 Uiso calc PR 0.778(2) C 3
C C36' 0.1501(3) 0.2140(5) 0.0872(4) 0.0188(6) Uani d PGD 0.22 C 4
C C37' 0.17185(18) 0.1093(7) 0.1275(3) 0.0185(7) Uani d PGD 0.22 C 4
C C38' 0.1598(3) -0.0230(6) 0.1098(4) 0.0228(7) Uani d PGD 0.22 C 4
H H38' 0.1747 -0.0945 0.1374 0.027 Uiso calc PR 0.222(2) C 4
C C39' 0.1261(3) -0.0506(6) 0.0518(4) 0.0270(9) Uani d PGD 0.22 C 4
H H39' 0.1179 -0.1410 0.0397 0.032 Uiso calc PR 0.222(2) C 4
C C40' 0.1043(2) 0.0541(9) 0.0115(3) 0.0263(8) Uani d PGD 0.22 C 4
H H40' 0.0813 0.0352 -0.0282 0.032 Uiso calc PR 0.222(2) C 4
C C41' 0.1163(3) 0.1864(7) 0.0292(4) 0.0237(8) Uani d PGD 0.22 C 4
H H41' 0.1015 0.2579 0.0016 0.028 Uiso calc PR 0.222(2) C 4
C C42 0.07750(9) 0.5679(3) 0.20853(14) 0.0221(6) Uani d . 1 . .
H H42A 0.0950 0.5653 0.2560 0.026 Uiso calc R 1 C .
H H42B 0.0735 0.6635 0.1950 0.026 Uiso calc R 1 . .
C C43 0.03171(5) 0.50634(19) 0.20108(9) 0.0228(6) Uani d G 1 C .
C C44 0.02529(6) 0.4103(2) 0.24530(8) 0.0274(6) Uani d G 1 . .
C C45 -0.01549(7) 0.34462(19) 0.23260(10) 0.0335(7) Uani d G 1 C .
H H45 -0.0199 0.2790 0.2628 0.040 Uiso calc R 1 . .
C C46 -0.04984(5) 0.3749(2) 0.17567(11) 0.0378(8) Uani d G 1 . .
H H46 -0.0777 0.3300 0.1670 0.045 Uiso calc R 1 C .
C C47 -0.04341(5) 0.4709(2) 0.13145(8) 0.0339(7) Uani d G 1 C .
H H47 -0.0669 0.4916 0.0925 0.041 Uiso calc R 1 . .
C C48 -0.00264(6) 0.53663(18) 0.14415(8) 0.0281(6) Uani d G 1 . .
H H48 0.0018 0.6023 0.1139 0.034 Uiso calc R 1 C .
C C49 0.02739(9) 0.2825(3) 0.06977(13) 0.0200(5) Uani d . 1 . .
H H49 0.0204 0.3607 0.0428 0.024 Uiso calc R 1 . .
C C50 -0.00022(10) 0.1705(3) 0.05223(14) 0.0252(6) Uani d . 1 . .
H H50 -0.0257 0.1729 0.0144 0.030 Uiso calc R 1 . .
C C51 0.01004(10) 0.0563(3) 0.09070(15) 0.0270(6) Uani d . 1 . .
H H51 -0.0081 -0.0217 0.0793 0.032 Uiso calc R 1 . .
C C52 0.04732(10) 0.0565(3) 0.14657(14) 0.0248(6) Uani d . 1 . .
H H52 0.0551 -0.0209 0.1739 0.030 Uiso calc R 1 . .
C C53 0.07269(9) 0.1726(3) 0.16110(12) 0.0173(5) Uani d . 1 . .
C C54 0.11097(9) 0.1814(3) 0.22158(12) 0.0164(5) Uani d . 1 . .
C C55 0.15296(9) 0.0868(3) 0.31798(12) 0.0168(5) Uani d . 1 . .
C C56 0.17343(8) 0.2149(3) 0.33523(12) 0.0164(5) Uani d . 1 . .
C C57 0.16356(6) -0.03552(13) 0.35977(7) 0.0171(5) Uani d G 1 . .
C C58 0.16988(7) -0.15594(16) 0.33036(6) 0.0220(6) Uani d G 1 . .
H H58 0.1708 -0.1569 0.2857 0.026 Uiso calc R 1 . .
C C59 0.17487(7) -0.27500(13) 0.36628(8) 0.0262(6) Uani d G 1 . .
H H59 0.1792 -0.3573 0.3462 0.031 Uiso calc R 1 . .
C C60 0.17353(7) -0.27362(13) 0.43162(8) 0.0262(6) Uani d G 1 . .
H H60 0.1769 -0.3550 0.4562 0.031 Uiso calc R 1 . .
C C61 0.16720(7) -0.15320(17) 0.46104(6) 0.0244(6) Uani d G 1 . .
H H61 0.1663 -0.1523 0.5057 0.029 Uiso calc R 1 . .
C C62 0.16222(6) -0.03414(13) 0.42512(8) 0.0200(5) Uani d G 1 . .
H H62 0.1579 0.0482 0.4452 0.024 Uiso calc R 1 . .
C C63 0.20575(5) 0.24691(17) 0.40048(6) 0.0162(5) Uani d G 1 . .
C C64 0.24460(6) 0.17252(16) 0.42544(8) 0.0233(6) Uani d G 1 . .
H H64 0.2521 0.1041 0.3991 0.028 Uiso calc R 1 . .
C C65 0.27250(5) 0.19829(18) 0.48887(9) 0.0283(6) Uani d G 1 . .
H H65 0.2990 0.1474 0.5059 0.034 Uiso calc R 1 . .
C C66 0.26154(6) 0.29845(19) 0.52734(7) 0.0282(6) Uani d G 1 . .
H H66 0.2806 0.3161 0.5707 0.034 Uiso calc R 1 . .
C C67 0.22269(6) 0.37284(17) 0.50239(8) 0.0248(6) Uani d G 1 . .
H H67 0.2152 0.4413 0.5287 0.030 Uiso calc R 1 . .
C C68 0.19479(5) 0.34707(16) 0.43896(8) 0.0195(5) Uani d G 1 . .
H H68 0.1682 0.3979 0.4219 0.023 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'
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
C8 Sn1 C1 . . 176.39(13) ?
C8 Sn1 N2 . . 87.48(10) ?
C1 Sn1 N2 . . 89.03(10) ?
C8 Sn1 N1 . . 89.23(10) ?
C1 Sn1 N1 . . 88.62(12) ?
N2 Sn1 N1 . . 68.20(8) ?
C8 Sn1 Cl4 . . 90.57(8) ?
C1 Sn1 Cl4 . . 92.39(9) ?
N2 Sn1 Cl4 . . 159.62(6) ?
N1 Sn1 Cl4 . . 91.50(6) ?
C8 Sn1 Cl3 . . 90.80(9) ?
C1 Sn1 Cl3 . . 90.74(11) ?
N2 Sn1 Cl3 . . 100.57(6) ?
N1 Sn1 Cl3 . . 168.76(6) ?
Cl4 Sn1 Cl3 . . 99.74(3) ?
C42 Sn2 C35 . . 171.34(10) ?
C42 Sn2 N6 . . 86.58(9) ?
C35 Sn2 N6 . . 85.90(9) ?
C42 Sn2 N5 . . 91.92(9) ?
C35 Sn2 N5 . . 89.25(9) ?
N6 Sn2 N5 . . 68.00(7) ?
C42 Sn2 Cl8 . . 93.19(8) ?
C35 Sn2 Cl8 . . 95.37(8) ?
N6 Sn2 Cl8 . . 158.90(6) ?
N5 Sn2 Cl8 . . 90.93(5) ?
C42 Sn2 Cl7 . . 88.67(8) ?
C35 Sn2 Cl7 . . 88.54(7) ?
N6 Sn2 Cl7 . . 100.93(5) ?
N5 Sn2 Cl7 . . 168.85(5) ?
Cl8 Sn2 Cl7 . . 100.15(2) ?
C15 N1 C19 . . 118.3(3) ?
C15 N1 Sn1 . . 123.8(2) ?
C19 N1 Sn1 . . 117.81(18) ?
N3 N2 C20 . . 120.0(2) ?
N3 N2 Sn1 . . 119.81(18) ?
C20 N2 Sn1 . . 119.86(18) ?
C21 N3 N2 . . 118.7(2) ?
C22 N4 C20 . . 116.6(2) ?
C49 N5 C53 . . 118.2(2) ?
C49 N5 Sn2 . . 123.98(18) ?
C53 N5 Sn2 . . 117.69(17) ?
C54 N6 N7 . . 120.1(2) ?
C54 N6 Sn2 . . 118.63(16) ?
N7 N6 Sn2 . . 121.17(16) ?
C56 N7 N6 . . 118.2(2) ?
C55 N8 C54 . . 116.6(2) ?
C2' C1 Sn1 . . 116.3(6) ?
C2 C1 Sn1 . . 115.6(6) ?
C2' C1 H1A . . 108.6 ?
C2 C1 H1A . . 108.4 ?
Sn1 C1 H1A . . 108.4 ?
C2' C1 H1B . . 107.4 ?
C2 C1 H1B . . 108.4 ?
Sn1 C1 H1B . . 108.4 ?
H1A C1 H1B . . 107.4 ?
C2' C1 H1C . . 108.2 ?
C2 C1 H1C . . 108.0 ?
Sn1 C1 H1C . . 108.2 ?
C2' C1 H1D . . 108.2 ?
C2 C1 H1D . . 109.2 ?
Sn1 C1 H1D . . 108.2 ?
H1C C1 H1D . . 107.4 ?
C3 C2 C7 . . 120.0 ?
C3 C2 C1 . . 124.8(5) ?
C7 C2 C1 . . 115.1(5) ?
C4 C3 C2 . . 120.0 ?
C4 C3 Cl1 . . 118.5(4) ?
C2 C3 Cl1 . . 121.5(4) ?
C3 C4 C5 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.0 ?
C4 C5 H5 . . 120.0 ?
C6 C5 H5 . . 120.0 ?
C5 C6 C7 . . 120.0 ?
C5 C6 H6 . . 120.0 ?
C7 C6 H6 . . 120.0 ?
C6 C7 C2 . . 120.0 ?
C6 C7 H7 . . 120.0 ?
C2 C7 H7 . . 120.0 ?
C3' C2' C7' . . 120.0 ?
C3' C2' C1 . . 115.2(5) ?
C7' C2' C1 . . 124.7(5) ?
C2' C3' C4' . . 120.0 ?
C2' C3' Cl1' . . 121.8(4) ?
C4' C3' Cl1' . . 118.2(4) ?
C5' C4' C3' . . 120.0 ?
C5' C4' H4' . . 120.0 ?
C3' C4' H4' . . 120.0 ?
C4' C5' C6' . . 120.0 ?
C4' C5' H5' . . 120.0 ?
C6' C5' H5' . . 120.0 ?
C5' C6' C7' . . 120.0 ?
C5' C6' H6' . . 120.0 ?
C7' C6' H6' . . 120.0 ?
C6' C7' C2' . . 120.0 ?
C6' C7' H7' . . 120.0 ?
C2' C7' H7' . . 120.0 ?
C9 C8 Sn1 . . 117.65(18) ?
C9 C8 H8A . . 107.9 ?
Sn1 C8 H8A . . 107.9 ?
C9 C8 H8B . . 107.9 ?
Sn1 C8 H8B . . 107.9 ?
H8A C8 H8B . . 107.2 ?
C10 C9 C14 . . 120.0 ?
C10 C9 C8 . . 120.91(17) ?
C14 C9 C8 . . 119.01(17) ?
C11 C10 C9 . . 120.0 ?
C11 C10 Cl2 . . 117.39(11) ?
C9 C10 Cl2 . . 122.61(11) ?
C10 C11 C12 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C12 C11 H11 . . 120.0 ?
C13 C12 C11 . . 120.0 ?
C13 C12 H12 . . 120.0 ?
C11 C12 H12 . . 120.0 ?
C12 C13 C14 . . 120.0 ?
C12 C13 H13 . . 120.0 ?
C14 C13 H13 . . 120.0 ?
C13 C14 C9 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C9 C14 H14 . . 120.0 ?
N1 C15 C16 . . 122.6(3) ?
N1 C15 H15 . . 118.7 ?
C16 C15 H15 . . 118.7 ?
C17 C16 C15 . . 118.8(3) ?
C17 C16 H16 . . 120.6 ?
C15 C16 H16 . . 120.6 ?
C16 C17 C18 . . 119.6(3) ?
C16 C17 H17 . . 120.2 ?
C18 C17 H17 . . 120.2 ?
C17 C18 C19 . . 118.0(3) ?
C17 C18 H18 . . 121.0 ?
C19 C18 H18 . . 121.0 ?
N1 C19 C18 . . 122.6(3) ?
N1 C19 C20 . . 116.2(3) ?
C18 C19 C20 . . 121.2(3) ?
N2 C20 N4 . . 124.1(3) ?
N2 C20 C19 . . 117.0(2) ?
N4 C20 C19 . . 118.8(3) ?
N3 C21 C22 . . 119.7(2) ?
N3 C21 C23 . . 115.1(2) ?
C22 C21 C23 . . 125.2(2) ?
N4 C22 C21 . . 119.7(3) ?
N4 C22 C29 . . 115.7(2) ?
C21 C22 C29 . . 124.4(2) ?
C24 C23 C28 . . 120.0 ?
C24 C23 C21 . . 120.99(17) ?
C28 C23 C21 . . 119.01(17) ?
C25 C24 C23 . . 120.0 ?
C25 C24 H24 . . 120.0 ?
C23 C24 H24 . . 120.0 ?
C24 C25 C26 . . 120.0 ?
C24 C25 H25 . . 120.0 ?
C26 C25 H25 . . 120.0 ?
C25 C26 C27 . . 120.0 ?
C25 C26 H26 . . 120.0 ?
C27 C26 H26 . . 120.0 ?
C26 C27 C28 . . 120.0 ?
C26 C27 H27 . . 120.0 ?
C28 C27 H27 . . 120.0 ?
C27 C28 C23 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C23 C28 H28 . . 120.0 ?
C30 C29 C34 . . 120.0 ?
C30 C29 C22 . . 120.59(15) ?
C34 C29 C22 . . 118.93(15) ?
C31 C30 C29 . . 120.0 ?
C31 C30 H30 . . 120.0 ?
C29 C30 H30 . . 120.0 ?
C30 C31 C32 . . 120.0 ?
C30 C31 H31 . . 120.0 ?
C32 C31 H31 . . 120.0 ?
C33 C32 C31 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C31 C32 H32 . . 120.0 ?
C32 C33 C34 . . 120.0 ?
C32 C33 H33 . . 120.0 ?
C34 C33 H33 . . 120.0 ?
C33 C34 C29 . . 120.0 ?
C33 C34 H34 . . 120.0 ?
C29 C34 H34 . . 120.0 ?
C36' C35 Sn2 . . 119.1(4) ?
C36 C35 Sn2 . . 119.17(19) ?
C36' C35 H35A . . 99.3 ?
C36 C35 H35A . . 107.5 ?
Sn2 C35 H35A . . 107.5 ?
C36' C35 H35B . . 115.2 ?
C36 C35 H35B . . 107.5 ?
Sn2 C35 H35B . . 107.5 ?
H35A C35 H35B . . 107.0 ?
C36' C35 H35C . . 106.7 ?
C36 C35 H35C . . 114.3 ?
Sn2 C35 H35C . . 108.3 ?
C36' C35 H35D . . 106.8 ?
C36 C35 H35D . . 98.5 ?
Sn2 C35 H35D . . 108.1 ?
H35C C35 H35D . . 107.4 ?
C37 C36 C41 . . 120.0 ?
C37 C36 C35 . . 121.18(18) ?
C41 C36 C35 . . 118.77(18) ?
C36 C37 C38 . . 120.0 ?
C36 C37 Cl5 . . 121.56(14) ?
C38 C37 Cl5 . . 118.43(14) ?
C37 C38 C39 . . 120.0 ?
C37 C38 H38 . . 120.0 ?
C39 C38 H38 . . 120.0 ?
C40 C39 C38 . . 120.0 ?
C40 C39 H39 . . 120.0 ?
C38 C39 H39 . . 120.0 ?
C41 C40 C39 . . 120.0 ?
C41 C40 H40 . . 120.0 ?
C39 C40 H40 . . 120.0 ?
C40 C41 C36 . . 120.0 ?
C40 C41 H41 . . 120.0 ?
C36 C41 H41 . . 120.0 ?
C37' C36' C41' . . 120.0 ?
C37' C36' C35 . . 121.0(5) ?
C41' C36' C35 . . 118.9(5) ?
C36' C37' C38' . . 120.0 ?
C36' C37' Cl5' . . 121.7(4) ?
C38' C37' Cl5' . . 118.3(4) ?
C39' C38' C37' . . 120.0 ?
C39' C38' H38' . . 120.0 ?
C37' C38' H38' . . 120.0 ?
C38' C39' C40' . . 120.0 ?
C38' C39' H39' . . 120.0 ?
C40' C39' H39' . . 120.0 ?
C39' C40' C41' . . 120.0 ?
C39' C40' H40' . . 120.0 ?
C41' C40' H40' . . 120.0 ?
C40' C41' C36' . . 120.0 ?
C40' C41' H41' . . 120.0 ?
C36' C41' H41' . . 120.0 ?
C43 C42 Sn2 . . 114.53(17) ?
C43 C42 H42A . . 108.6 ?
Sn2 C42 H42A . . 108.6 ?
C43 C42 H42B . . 108.6 ?
Sn2 C42 H42B . . 108.6 ?
H42A C42 H42B . . 107.6 ?
C44 C43 C48 . . 120.0 ?
C44 C43 C42 . . 121.60(16) ?
C48 C43 C42 . . 117.96(16) ?
C43 C44 C45 . . 120.0 ?
C43 C44 Cl6 . . 122.75(12) ?
C45 C44 Cl6 . . 117.07(11) ?
C46 C45 C44 . . 120.0 ?
C46 C45 H45 . . 120.0 ?
C44 C45 H45 . . 120.0 ?
C45 C46 C47 . . 120.0 ?
C45 C46 H46 . . 120.0 ?
C47 C46 H46 . . 120.0 ?
C48 C47 C46 . . 120.0 ?
C48 C47 H47 . . 120.0 ?
C46 C47 H47 . . 120.0 ?
C47 C48 C43 . . 120.0 ?
C47 C48 H48 . . 120.0 ?
C43 C48 H48 . . 120.0 ?
N5 C49 C50 . . 122.6(3) ?
N5 C49 H49 . . 118.7 ?
C50 C49 H49 . . 118.7 ?
C51 C50 C49 . . 119.0(3) ?
C51 C50 H50 . . 120.5 ?
C49 C50 H50 . . 120.5 ?
C50 C51 C52 . . 119.2(3) ?
C50 C51 H51 . . 120.4 ?
C52 C51 H51 . . 120.4 ?
C53 C52 C51 . . 118.2(3) ?
C53 C52 H52 . . 120.9 ?
C51 C52 H52 . . 120.9 ?
N5 C53 C52 . . 122.9(2) ?
N5 C53 C54 . . 116.5(2) ?
C52 C53 C54 . . 120.6(2) ?
N6 C54 N8 . . 124.5(2) ?
N6 C54 C53 . . 117.5(2) ?
N8 C54 C53 . . 118.0(2) ?
N8 C55 C56 . . 119.4(2) ?
N8 C55 C57 . . 115.3(2) ?
C56 C55 C57 . . 125.3(2) ?
N7 C56 C55 . . 120.9(2) ?
N7 C56 C63 . . 114.9(2) ?
C55 C56 C63 . . 124.2(2) ?
C58 C57 C62 . . 120.0 ?
C58 C57 C55 . . 118.65(14) ?
C62 C57 C55 . . 120.94(14) ?
C59 C58 C57 . . 120.0 ?
C59 C58 H58 . . 120.0 ?
C57 C58 H58 . . 120.0 ?
C58 C59 C60 . . 120.0 ?
C58 C59 H59 . . 120.0 ?
C60 C59 H59 . . 120.0 ?
C61 C60 C59 . . 120.0 ?
C61 C60 H60 . . 120.0 ?
C59 C60 H60 . . 120.0 ?
C60 C61 C62 . . 120.0 ?
C60 C61 H61 . . 120.0 ?
C62 C61 H61 . . 120.0 ?
C61 C62 C57 . . 120.0 ?
C61 C62 H62 . . 120.0 ?
C57 C62 H62 . . 120.0 ?
C64 C63 C68 . . 120.0 ?
C64 C63 C56 . . 121.38(14) ?
C68 C63 C56 . . 118.44(14) ?
C65 C64 C63 . . 120.0 ?
C65 C64 H64 . . 120.0 ?
C63 C64 H64 . . 120.0 ?
C66 C65 C64 . . 120.0 ?
C66 C65 H65 . . 120.0 ?
C64 C65 H65 . . 120.0 ?
C65 C66 C67 . . 120.0 ?
C65 C66 H66 . . 120.0 ?
C67 C66 H66 . . 120.0 ?
C68 C67 C66 . . 120.0 ?
C68 C67 H67 . . 120.0 ?
C66 C67 H67 . . 120.0 ?
C67 C68 C63 . . 120.0 ?
C67 C68 H68 . . 120.0 ?
C63 C68 H68 . . 120.0 ?
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
Sn1 C8 . 2.171(3) ?
Sn1 C1 . 2.179(3) ?
Sn1 N2 . 2.367(2) ?
Sn1 N1 . 2.427(2) ?
Sn1 Cl4 . 2.4889(8) ?
Sn1 Cl3 . 2.5014(9) ?
Sn2 C42 . 2.178(3) ?
Sn2 C35 . 2.194(3) ?
Sn2 N6 . 2.395(2) ?
Sn2 N5 . 2.419(2) ?
Sn2 Cl8 . 2.4722(7) ?
Sn2 Cl7 . 2.4808(7) ?
Cl1 C3 . 1.728(5) ?
Cl1' C3' . 1.728(5) ?
Cl2 C10 . 1.7156(15) ?
Cl5 C37 . 1.7258(19) ?
Cl5' C37' . 1.719(5) ?
Cl6 C44 . 1.7228(16) ?
N1 C15 . 1.335(4) ?
N1 C19 . 1.350(4) ?
N2 N3 . 1.332(3) ?
N2 C20 . 1.333(4) ?
N3 C21 . 1.332(4) ?
N4 C22 . 1.328(4) ?
N4 C20 . 1.336(4) ?
N5 C49 . 1.335(3) ?
N5 C53 . 1.352(3) ?
N6 C54 . 1.329(3) ?
N6 N7 . 1.338(3) ?
N7 C56 . 1.329(3) ?
N8 C55 . 1.331(3) ?
N8 C54 . 1.344(3) ?
C1 C2' . 1.515(7) ?
C1 C2 . 1.521(7) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C1 H1C . 0.9900 ?
C1 H1D . 0.9900 ?
C2 C3 . 1.3900 ?
C2 C7 . 1.3900 ?
C3 C4 . 1.3900 ?
C4 C5 . 1.3900 ?
C4 H4 . 0.9500 ?
C5 C6 . 1.3900 ?
C5 H5 . 0.9500 ?
C6 C7 . 1.3900 ?
C6 H6 . 0.9500 ?
C7 H7 . 0.9500 ?
C2' C3' . 1.3900 ?
C2' C7' . 1.3900 ?
C3' C4' . 1.3900 ?
C4' C5' . 1.3900 ?
C4' H4' . 0.9500 ?
C5' C6' . 1.3900 ?
C5' H5' . 0.9500 ?
C6' C7' . 1.3900 ?
C6' H6' . 0.9500 ?
C7' H7' . 0.9500 ?
C8 C9 . 1.526(3) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C10 . 1.3900 ?
C9 C14 . 1.3900 ?
C10 C11 . 1.3900 ?
C11 C12 . 1.3900 ?
C11 H11 . 0.9500 ?
C12 C13 . 1.3900 ?
C12 H12 . 0.9500 ?
C13 C14 . 1.3900 ?
C13 H13 . 0.9500 ?
C14 H14 . 0.9500 ?
C15 C16 . 1.385(5) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.378(5) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.389(4) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.390(4) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.478(4) ?
C21 C22 . 1.425(4) ?
C21 C23 . 1.474(3) ?
C22 C29 . 1.480(3) ?
C23 C24 . 1.3900 ?
C23 C28 . 1.3900 ?
C24 C25 . 1.3900 ?
C24 H24 . 0.9500 ?
C25 C26 . 1.3900 ?
C25 H25 . 0.9500 ?
C26 C27 . 1.3900 ?
C26 H26 . 0.9500 ?
C27 C28 . 1.3900 ?
C27 H27 . 0.9500 ?
C28 H28 . 0.9500 ?
C29 C30 . 1.3900 ?
C29 C34 . 1.3900 ?
C30 C31 . 1.3900 ?
C30 H30 . 0.9500 ?
C31 C32 . 1.3900 ?
C31 H31 . 0.9500 ?
C32 C33 . 1.3900 ?
C32 H32 . 0.9500 ?
C33 C34 . 1.3900 ?
C33 H33 . 0.9500 ?
C34 H34 . 0.9500 ?
C35 C36' . 1.493(5) ?
C35 C36 . 1.522(3) ?
C35 H35A . 0.9900 ?
C35 H35B . 0.9900 ?
C35 H35C . 0.9899 ?
C35 H35D . 0.9899 ?
C36 C37 . 1.3900 ?
C36 C41 . 1.3900 ?
C37 C38 . 1.3900 ?
C38 C39 . 1.3900 ?
C38 H38 . 0.9500 ?
C39 C40 . 1.3900 ?
C39 H39 . 0.9500 ?
C40 C41 . 1.3900 ?
C40 H40 . 0.9500 ?
C41 H41 . 0.9500 ?
C36' C37' . 1.3900 ?
C36' C41' . 1.3900 ?
C37' C38' . 1.3900 ?
C38' C39' . 1.3900 ?
C38' H38' . 0.9500 ?
C39' C40' . 1.3900 ?
C39' H39' . 0.9500 ?
C40' C41' . 1.3900 ?
C40' H40' . 0.9500 ?
C41' H41' . 0.9500 ?
C42 C43 . 1.526(3) ?
C42 H42A . 0.9900 ?
C42 H42B . 0.9900 ?
C43 C44 . 1.3900 ?
C43 C48 . 1.3900 ?
C44 C45 . 1.3900 ?
C45 C46 . 1.3900 ?
C45 H45 . 0.9500 ?
C46 C47 . 1.3900 ?
C46 H46 . 0.9500 ?
C47 C48 . 1.3900 ?
C47 H47 . 0.9500 ?
C48 H48 . 0.9500 ?
C49 C50 . 1.393(4) ?
C49 H49 . 0.9500 ?
C50 C51 . 1.379(4) ?
C50 H50 . 0.9500 ?
C51 C52 . 1.395(4) ?
C51 H51 . 0.9500 ?
C52 C53 . 1.385(4) ?
C52 H52 . 0.9500 ?
C53 C54 . 1.475(4) ?
C55 C56 . 1.426(4) ?
C55 C57 . 1.482(3) ?
C56 C63 . 1.484(3) ?
C57 C58 . 1.3900 ?
C57 C62 . 1.3900 ?
C58 C59 . 1.3900 ?
C58 H58 . 0.9500 ?
C59 C60 . 1.3900 ?
C59 H59 . 0.9500 ?
C60 C61 . 1.3900 ?
C60 H60 . 0.9500 ?
C61 C62 . 1.3900 ?
C61 H61 . 0.9500 ?
C62 H62 . 0.9500 ?
C63 C64 . 1.3900 ?
C63 C68 . 1.3900 ?
C64 C65 . 1.3900 ?
C64 H64 . 0.9500 ?
C65 C66 . 1.3900 ?
C65 H65 . 0.9500 ?
C66 C67 . 1.3900 ?
C66 H66 . 0.9500 ?
C67 C68 . 1.3900 ?
C67 H67 . 0.9500 ?
C68 H68 . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C8 Sn1 N1 C15 . . . . -94.3(2) ?
C1 Sn1 N1 C15 . . . . 88.6(2) ?
N2 Sn1 N1 C15 . . . . 178.1(2) ?
Cl4 Sn1 N1 C15 . . . . -3.8(2) ?
Cl3 Sn1 N1 C15 . . . . 175.4(2) ?
C8 Sn1 N1 C19 . . . . 87.1(2) ?
C1 Sn1 N1 C19 . . . . -90.0(2) ?
N2 Sn1 N1 C19 . . . . -0.52(19) ?
Cl4 Sn1 N1 C19 . . . . 177.6(2) ?
Cl3 Sn1 N1 C19 . . . . -3.2(5) ?
C8 Sn1 N2 N3 . . . . 89.1(2) ?
C1 Sn1 N2 N3 . . . . -91.8(2) ?
N1 Sn1 N2 N3 . . . . 179.3(2) ?
Cl4 Sn1 N2 N3 . . . . 173.92(14) ?
Cl3 Sn1 N2 N3 . . . . -1.3(2) ?
C8 Sn1 N2 C20 . . . . -83.9(2) ?
C1 Sn1 N2 C20 . . . . 95.2(2) ?
N1 Sn1 N2 C20 . . . . 6.29(19) ?
Cl4 Sn1 N2 C20 . . . . 0.9(3) ?
Cl3 Sn1 N2 C20 . . . . -174.24(19) ?
C20 N2 N3 C21 . . . . 5.5(4) ?
Sn1 N2 N3 C21 . . . . -167.50(19) ?
C42 Sn2 N5 C49 . . . . 89.3(2) ?
C35 Sn2 N5 C49 . . . . -99.3(2) ?
N6 Sn2 N5 C49 . . . . 174.8(2) ?
Cl8 Sn2 N5 C49 . . . . -3.9(2) ?
Cl7 Sn2 N5 C49 . . . . -177.8(2) ?
C42 Sn2 N5 C53 . . . . -95.51(19) ?
C35 Sn2 N5 C53 . . . . 75.90(19) ?
N6 Sn2 N5 C53 . . . . -9.98(17) ?
Cl8 Sn2 N5 C53 . . . . 171.26(18) ?
Cl7 Sn2 N5 C53 . . . . -2.7(4) ?
C42 Sn2 N6 C54 . . . . 104.8(2) ?
C35 Sn2 N6 C54 . . . . -79.5(2) ?
N5 Sn2 N6 C54 . . . . 11.35(18) ?
Cl8 Sn2 N6 C54 . . . . 14.8(3) ?
Cl7 Sn2 N6 C54 . . . . -167.21(18) ?
C42 Sn2 N6 N7 . . . . -79.56(19) ?
C35 Sn2 N6 N7 . . . . 96.13(19) ?
N5 Sn2 N6 N7 . . . . -173.0(2) ?
Cl8 Sn2 N6 N7 . . . . -169.56(12) ?
Cl7 Sn2 N6 N7 . . . . 8.42(18) ?
C54 N6 N7 C56 . . . . 0.5(3) ?
Sn2 N6 N7 C56 . . . . -175.11(17) ?
N2 Sn1 C1 C2' . . . . 22.6(4) ?
N1 Sn1 C1 C2' . . . . 90.8(4) ?
Cl4 Sn1 C1 C2' . . . . -177.8(4) ?
Cl3 Sn1 C1 C2' . . . . -78.0(4) ?
N2 Sn1 C1 C2 . . . . 23.4(4) ?
N1 Sn1 C1 C2 . . . . 91.6(4) ?
Cl4 Sn1 C1 C2 . . . . -176.9(4) ?
Cl3 Sn1 C1 C2 . . . . -77.2(4) ?
C2' C1 C2 C3 . . . . 4E1(7) ?
Sn1 C1 C2 C3 . . . . -95.9(10) ?
C2' C1 C2 C7 . . . . -15E1(7) ?
Sn1 C1 C2 C7 . . . . 80.9(4) ?
C7 C2 C3 C4 . . . . 0.0 ?
C1 C2 C3 C4 . . . . 176.7(13) ?
C7 C2 C3 Cl1 . . . . 179.4(2) ?
C1 C2 C3 Cl1 . . . . -3.9(13) ?
C2 C3 C4 C5 . . . . 0.0 ?
Cl1 C3 C4 C5 . . . . -179.4(2) ?
C3 C4 C5 C6 . . . . 0.0 ?
C4 C5 C6 C7 . . . . 0.0 ?
C5 C6 C7 C2 . . . . 0.0 ?
C3 C2 C7 C6 . . . . 0.0 ?
C1 C2 C7 C6 . . . . -177.0(12) ?
C2 C1 C2' C3' . . . . -15E1(7) ?
Sn1 C1 C2' C3' . . . . -103.9(8) ?
C2 C1 C2' C7' . . . . 3E1(7) ?
Sn1 C1 C2' C7' . . . . 72.3(6) ?
C7' C2' C3' C4' . . . . 0.0 ?
C1 C2' C3' C4' . . . . 176.4(12) ?
C7' C2' C3' Cl1' . . . . 179.3(2) ?
C1 C2' C3' Cl1' . . . . -4.3(11) ?
C2' C3' C4' C5' . . . . 0.0 ?
Cl1' C3' C4' C5' . . . . -179.4(2) ?
C3' C4' C5' C6' . . . . 0.0 ?
C4' C5' C6' C7' . . . . 0.0 ?
C5' C6' C7' C2' . . . . 0.0 ?
C3' C2' C7' C6' . . . . 0.0 ?
C1 C2' C7' C6' . . . . -176.0(13) ?
N2 Sn1 C8 C9 . . . . -24.3(2) ?
N1 Sn1 C8 C9 . . . . -92.5(2) ?
Cl4 Sn1 C8 C9 . . . . 176.0(2) ?
Cl3 Sn1 C8 C9 . . . . 76.3(2) ?
Sn1 C8 C9 C10 . . . . 102.9(2) ?
Sn1 C8 C9 C14 . . . . -80.2(2) ?
C14 C9 C10 C11 . . . . 0.0 ?
C8 C9 C10 C11 . . . . 176.8(2) ?
C14 C9 C10 Cl2 . . . . -179.96(16) ?
C8 C9 C10 Cl2 . . . . -3.1(2) ?
C9 C10 C11 C12 . . . . 0.0 ?
Cl2 C10 C11 C12 . . . . 179.96(16) ?
C10 C11 C12 C13 . . . . 0.0 ?
C11 C12 C13 C14 . . . . 0.0 ?
C12 C13 C14 C9 . . . . 0.0 ?
C10 C9 C14 C13 . . . . 0.0 ?
C8 C9 C14 C13 . . . . -176.9(2) ?
C19 N1 C15 C16 . . . . 2.7(4) ?
Sn1 N1 C15 C16 . . . . -175.9(2) ?
N1 C15 C16 C17 . . . . -1.1(5) ?
C15 C16 C17 C18 . . . . -1.0(5) ?
C16 C17 C18 C19 . . . . 1.4(5) ?
C15 N1 C19 C18 . . . . -2.2(4) ?
Sn1 N1 C19 C18 . . . . 176.5(2) ?
C15 N1 C19 C20 . . . . 176.8(2) ?
Sn1 N1 C19 C20 . . . . -4.5(3) ?
C17 C18 C19 N1 . . . . 0.2(5) ?
C17 C18 C19 C20 . . . . -178.8(3) ?
N3 N2 C20 N4 . . . . -8.8(4) ?
Sn1 N2 C20 N4 . . . . 164.2(2) ?
N3 N2 C20 C19 . . . . 176.0(2) ?
Sn1 N2 C20 C19 . . . . -11.0(3) ?
C22 N4 C20 N2 . . . . 1.4(4) ?
C22 N4 C20 C19 . . . . 176.5(2) ?
N1 C19 C20 N2 . . . . 10.2(4) ?
C18 C19 C20 N2 . . . . -170.8(3) ?
N1 C19 C20 N4 . . . . -165.3(3) ?
C18 C19 C20 N4 . . . . 13.7(4) ?
N2 N3 C21 C22 . . . . 4.2(4) ?
N2 N3 C21 C23 . . . . -175.5(2) ?
C20 N4 C22 C21 . . . . 8.4(4) ?
C20 N4 C22 C29 . . . . -167.3(2) ?
N3 C21 C22 N4 . . . . -11.5(4) ?
C23 C21 C22 N4 . . . . 168.2(2) ?
N3 C21 C22 C29 . . . . 163.9(2) ?
C23 C21 C22 C29 . . . . -16.5(4) ?
N3 C21 C23 C24 . . . . 141.0(2) ?
C22 C21 C23 C24 . . . . -38.7(3) ?
N3 C21 C23 C28 . . . . -38.4(3) ?
C22 C21 C23 C28 . . . . 141.9(2) ?
C28 C23 C24 C25 . . . . 0.0 ?
C21 C23 C24 C25 . . . . -179.4(2) ?
C23 C24 C25 C26 . . . . 0.0 ?
C24 C25 C26 C27 . . . . 0.0 ?
C25 C26 C27 C28 . . . . 0.0 ?
C26 C27 C28 C23 . . . . 0.0 ?
C24 C23 C28 C27 . . . . 0.0 ?
C21 C23 C28 C27 . . . . 179.4(2) ?
N4 C22 C29 C30 . . . . 133.9(2) ?
C21 C22 C29 C30 . . . . -41.6(3) ?
N4 C22 C29 C34 . . . . -38.1(3) ?
C21 C22 C29 C34 . . . . 146.4(2) ?
C34 C29 C30 C31 . . . . 0.0 ?
C22 C29 C30 C31 . . . . -171.9(2) ?
C29 C30 C31 C32 . . . . 0.0 ?
C30 C31 C32 C33 . . . . 0.0 ?
C31 C32 C33 C34 . . . . 0.0 ?
C32 C33 C34 C29 . . . . 0.0 ?
C30 C29 C34 C33 . . . . 0.0 ?
C22 C29 C34 C33 . . . . 172.1(2) ?
N6 Sn2 C35 C36' . . . . 58.9(4) ?
N5 Sn2 C35 C36' . . . . -9.1(4) ?
Cl8 Sn2 C35 C36' . . . . -100.0(4) ?
Cl7 Sn2 C35 C36' . . . . 160.0(4) ?
N6 Sn2 C35 C36 . . . . 48.0(2) ?
N5 Sn2 C35 C36 . . . . -20.0(2) ?
Cl8 Sn2 C35 C36 . . . . -110.84(19) ?
Cl7 Sn2 C35 C36 . . . . 149.10(19) ?
C36' C35 C36 C37 . . . . -6(3) ?
Sn2 C35 C36 C37 . . . . 86.3(2) ?
C36' C35 C36 C41 . . . . 177(3) ?
Sn2 C35 C36 C41 . . . . -91.2(2) ?
C41 C36 C37 C38 . . . . 0.0 ?
C35 C36 C37 C38 . . . . -177.4(3) ?
C41 C36 C37 Cl5 . . . . -178.96(16) ?
C35 C36 C37 Cl5 . . . . 3.6(2) ?
C36 C37 C38 C39 . . . . 0.0 ?
Cl5 C37 C38 C39 . . . . 178.99(16) ?
C37 C38 C39 C40 . . . . 0.0 ?
C38 C39 C40 C41 . . . . 0.0 ?
C39 C40 C41 C36 . . . . 0.0 ?
C37 C36 C41 C40 . . . . 0.0 ?
C35 C36 C41 C40 . . . . 177.5(3) ?
C36 C35 C36' C37' . . . . -7(2) ?
Sn2 C35 C36' C37' . . . . -100.2(6) ?
C36 C35 C36' C41' . . . . 169(3) ?
Sn2 C35 C36' C41' . . . . 76.3(4) ?
C41' C36' C37' C38' . . . . 0.0 ?
C35 C36' C37' C38' . . . . 176.4(9) ?
C41' C36' C37' Cl5' . . . . 179.4(2) ?
C35 C36' C37' Cl5' . . . . -4.2(8) ?
C36' C37' C38' C39' . . . . 0.0 ?
Cl5' C37' C38' C39' . . . . -179.4(2) ?
C37' C38' C39' C40' . . . . 0.0 ?
C38' C39' C40' C41' . . . . 0.0 ?
C39' C40' C41' C36' . . . . 0.0 ?
C37' C36' C41' C40' . . . . 0.0 ?
C35 C36' C41' C40' . . . . -176.5(8) ?
N6 Sn2 C42 C43 . . . . -77.73(18) ?
N5 Sn2 C42 C43 . . . . -9.90(18) ?
Cl8 Sn2 C42 C43 . . . . 81.14(17) ?
Cl7 Sn2 C42 C43 . . . . -178.76(17) ?
Sn2 C42 C43 C44 . . . . 94.20(18) ?
Sn2 C42 C43 C48 . . . . -78.18(19) ?
C48 C43 C44 C45 . . . . 0.0 ?
C42 C43 C44 C45 . . . . -172.2(2) ?
C48 C43 C44 Cl6 . . . . -174.94(16) ?
C42 C43 C44 Cl6 . . . . 12.8(2) ?
C43 C44 C45 C46 . . . . 0.0 ?
Cl6 C44 C45 C46 . . . . 175.22(16) ?
C44 C45 C46 C47 . . . . 0.0 ?
C45 C46 C47 C48 . . . . 0.0 ?
C46 C47 C48 C43 . . . . 0.0 ?
C44 C43 C48 C47 . . . . 0.0 ?
C42 C43 C48 C47 . . . . 172.5(2) ?
C53 N5 C49 C50 . . . . -0.4(4) ?
Sn2 N5 C49 C50 . . . . 174.8(2) ?
N5 C49 C50 C51 . . . . -0.8(4) ?
C49 C50 C51 C52 . . . . 0.9(5) ?
C50 C51 C52 C53 . . . . 0.0(4) ?
C49 N5 C53 C52 . . . . 1.3(4) ?
Sn2 N5 C53 C52 . . . . -174.1(2) ?
C49 N5 C53 C54 . . . . -176.4(2) ?
Sn2 N5 C53 C54 . . . . 8.1(3) ?
C51 C52 C53 N5 . . . . -1.1(4) ?
C51 C52 C53 C54 . . . . 176.5(3) ?
N7 N6 C54 N8 . . . . -5.3(4) ?
Sn2 N6 C54 N8 . . . . 170.41(19) ?
N7 N6 C54 C53 . . . . 172.6(2) ?
Sn2 N6 C54 C53 . . . . -11.7(3) ?
C55 N8 C54 N6 . . . . 4.6(4) ?
C55 N8 C54 C53 . . . . -173.3(2) ?
N5 C53 C54 N6 . . . . 2.3(3) ?
C52 C53 C54 N6 . . . . -175.5(3) ?
N5 C53 C54 N8 . . . . -179.7(2) ?
C52 C53 C54 N8 . . . . 2.5(4) ?
C54 N8 C55 C56 . . . . 0.5(3) ?
C54 N8 C55 C57 . . . . 179.9(2) ?
N6 N7 C56 C55 . . . . 4.4(4) ?
N6 N7 C56 C63 . . . . -174.47(19) ?
N8 C55 C56 N7 . . . . -5.0(4) ?
C57 C55 C56 N7 . . . . 175.7(2) ?
N8 C55 C56 C63 . . . . 173.8(2) ?
C57 C55 C56 C63 . . . . -5.5(4) ?
N8 C55 C57 C58 . . . . 46.9(3) ?
C56 C55 C57 C58 . . . . -133.8(2) ?
N8 C55 C57 C62 . . . . -125.8(2) ?
C56 C55 C57 C62 . . . . 53.5(3) ?
C62 C57 C58 C59 . . . . 0.0 ?
C55 C57 C58 C59 . . . . -172.76(19) ?
C57 C58 C59 C60 . . . . 0.0 ?
C58 C59 C60 C61 . . . . 0.0 ?
C59 C60 C61 C62 . . . . 0.0 ?
C60 C61 C62 C57 . . . . 0.0 ?
C58 C57 C62 C61 . . . . 0.0 ?
C55 C57 C62 C61 . . . . 172.59(19) ?
N7 C56 C63 C64 . . . . -125.0(2) ?
C55 C56 C63 C64 . . . . 56.1(3) ?
N7 C56 C63 C68 . . . . 59.9(2) ?
C55 C56 C63 C68 . . . . -119.0(2) ?
C68 C63 C64 C65 . . . . 0.0 ?
C56 C63 C64 C65 . . . . -175.05(19) ?
C63 C64 C65 C66 . . . . 0.0 ?
C64 C65 C66 C67 . . . . 0.0 ?
C65 C66 C67 C68 . . . . 0.0 ?
C66 C67 C68 C63 . . . . 0.0 ?
C64 C63 C68 C67 . . . . 0.0 ?
C56 C63 C68 C67 . . . . 175.19(19) ?
