#------------------------------------------------------------------------------
#$Date: 2017-07-23 20:46:58 +0300 (Sun, 23 Jul 2017) $
#$Revision: 198932 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/04/2300477.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_2300477
loop_
_publ_author_name
'Tan, Seng Lim'
'Ng, Seik Weng'
_publ_section_title
;
 Does the size of a crystal matter in an X-ray crystal structure analysis
 of a small molecule?
;
_journal_coeditor_code           kk5175
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1443
_journal_page_last               1444
_journal_paper_doi               10.1107/S1600576714011297
_journal_volume                  47
_journal_year                    2014
_chemical_formula_moiety         'Sn Cl (H2 O) (C6 H5)3 (C10 H8 N2)'
_chemical_formula_sum            'C28 H25 Cl N2 O Sn'
_chemical_formula_weight         559.64
_chemical_name_systematic
; 
 Aquachlorotriphenyltin(IV)--2,2'-bipyridine (1/1)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 108.879(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.5742(4)
_cell_length_b                   16.1161(4)
_cell_length_c                   20.4181(6)
_cell_measurement_reflns_used    14938
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5370
_cell_measurement_theta_min      3.7540
_cell_volume                     4849.2(2)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2014)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2014)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2014)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32969
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.187
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlis PRO (Agilent, 2014)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.682
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5610
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0440P)²+7.5426P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                4855
_reflns_number_total             5610
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            kk5175sup1.cif
_cod_data_source_block           Sn3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 2300463--2300482.cif.

2017-07-23
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C56 H50 Cl2 N4 O2 Sn2'
_cod_original_formula_weight         1119.28
_cod_original_formula_moiety         'Sn2 Cl2 (H2 O)2 (C6 H5)6 (C10 H8 N2)2'
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2300477
_cod_database_fobs_code          2300477
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Sn1 Sn 0.295805(9) 0.599064(8) 0.322534(7) 0.01149(6) Uani 1 1 d .
Cl1 Cl 0.16577(4) 0.59854(3) 0.37050(3) 0.02091(12) Uani 1 1 d .
O1W O 0.42787(10) 0.60058(8) 0.29325(9) 0.0137(3) Uani 1 1 d D
H11 H 0.4613(17) 0.6422(12) 0.2980(16) 0.035(8) Uiso 1 1 d D
H12 H 0.4629(16) 0.5601(12) 0.2993(16) 0.034(8) Uiso 1 1 d D
N1 N 0.53943(11) 0.74011(11) 0.32060(10) 0.0155(3) Uani 1 1 d .
N2 N 0.54075(11) 0.46317(10) 0.32085(9) 0.0140(3) Uani 1 1 d .
C1 C 0.34145(13) 0.71503(12) 0.37076(11) 0.0132(4) Uani 1 1 d .
C2 C 0.36779(14) 0.72348(13) 0.44231(11) 0.0178(4) Uani 1 1 d .
H2 H 0.3691 0.6758 0.4700 0.021 Uiso 1 1 calc R
C3 C 0.39217(15) 0.79980(14) 0.47419(12) 0.0226(5) Uani 1 1 d .
H3 H 0.4095 0.8045 0.5231 0.027 Uiso 1 1 calc R
C4 C 0.39086(15) 0.86919(14) 0.43373(13) 0.0236(5) Uani 1 1 d .
H4 H 0.4077 0.9217 0.4551 0.028 Uiso 1 1 calc R
C5 C 0.36524(14) 0.86250(14) 0.36239(13) 0.0207(5) Uani 1 1 d .
H5 H 0.3645 0.9102 0.3349 0.025 Uiso 1 1 calc R
C6 C 0.34057(14) 0.78534(13) 0.33108(12) 0.0170(4) Uani 1 1 d .
H6 H 0.3230 0.7808 0.2821 0.020 Uiso 1 1 calc R
C7 C 0.34155(13) 0.48069(12) 0.36565(11) 0.0138(4) Uani 1 1 d .
C8 C 0.39023(15) 0.47069(14) 0.43568(12) 0.0201(4) Uani 1 1 d .
H8 H 0.4024 0.5176 0.4654 0.024 Uiso 1 1 calc R
C9 C 0.42098(17) 0.39332(14) 0.46237(13) 0.0234(5) Uani 1 1 d .
H9 H 0.4551 0.3877 0.5100 0.028 Uiso 1 1 calc R
C10 C 0.40224(16) 0.32420(14) 0.42008(14) 0.0239(5) Uani 1 1 d .
H10 H 0.4226 0.2710 0.4387 0.029 Uiso 1 1 calc R
C11 C 0.35363(16) 0.33277(14) 0.35049(13) 0.0232(5) Uani 1 1 d .
H11A H 0.3403 0.2854 0.3213 0.028 Uiso 1 1 calc R
C12 C 0.32417(15) 0.41099(13) 0.32324(12) 0.0177(4) Uani 1 1 d .
H12A H 0.2919 0.4167 0.2753 0.021 Uiso 1 1 calc R
C13 C 0.21565(14) 0.59823(11) 0.21568(12) 0.0142(4) Uani 1 1 d .
C14 C 0.25711(15) 0.59770(12) 0.16449(12) 0.0176(4) Uani 1 1 d .
H14 H 0.3214 0.5992 0.1775 0.021 Uiso 1 1 calc R
C15 C 0.20548(15) 0.59497(14) 0.09453(12) 0.0210(5) Uani 1 1 d .
H15 H 0.2347 0.5940 0.0603 0.025 Uiso 1 1 calc R
C16 C 0.11146(16) 0.59374(13) 0.07487(13) 0.0219(5) Uani 1 1 d .
H16 H 0.0762 0.5928 0.0272 0.026 Uiso 1 1 calc R
C17 C 0.06937(15) 0.59387(13) 0.12509(14) 0.0231(5) Uani 1 1 d .
H17 H 0.0050 0.5923 0.1118 0.028 Uiso 1 1 calc R
C18 C 0.12080(15) 0.59634(12) 0.19507(13) 0.0183(5) Uani 1 1 d .
H18 H 0.0912 0.5967 0.2291 0.022 Uiso 1 1 calc R
C19 C 0.53306(14) 0.39160(12) 0.28555(11) 0.0147(4) Uani 1 1 d .
C20 C 0.58409(15) 0.32173(13) 0.31410(12) 0.0195(4) Uani 1 1 d .
H20 H 0.5757 0.2713 0.2888 0.023 Uiso 1 1 calc R
C21 C 0.64714(15) 0.32656(14) 0.37979(12) 0.0216(5) Uani 1 1 d .
H21 H 0.6833 0.2798 0.3998 0.026 Uiso 1 1 calc R
C22 C 0.65660(15) 0.40058(13) 0.41576(12) 0.0188(5) Uani 1 1 d .
H22 H 0.6999 0.4062 0.4606 0.023 Uiso 1 1 calc R
C23 C 0.60122(14) 0.46611(13) 0.38451(11) 0.0171(4) Uani 1 1 d .
H23 H 0.6065 0.5164 0.4098 0.020 Uiso 1 1 calc R
C24 C 0.53141(13) 0.81216(12) 0.28619(11) 0.0154(4) Uani 1 1 d .
C25 C 0.57890(16) 0.88314(14) 0.31674(13) 0.0211(5) Uani 1 1 d .
H25 H 0.5718 0.9335 0.2914 0.025 Uiso 1 1 calc R
C26 C 0.63645(16) 0.87930(15) 0.38445(13) 0.0251(5) Uani 1 1 d .
H26 H 0.6700 0.9267 0.4061 0.030 Uiso 1 1 calc R
C27 C 0.64420(16) 0.80519(15) 0.42007(12) 0.0247(5) Uani 1 1 d .
H27 H 0.6824 0.8008 0.4668 0.030 Uiso 1 1 calc R
C28 C 0.59497(15) 0.73769(14) 0.38584(12) 0.0200(4) Uani 1 1 d .
H28 H 0.6011 0.6867 0.4102 0.024 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
16 -15 -13 0.1000 16.0229 -15.0023 -13.0084 0.8590 -0.5303 0.0252
-17 -14 4 0.1428 -17.0237 -14.0039 4.0036 -0.1419 0.0647 0.9851
-16 15 10 0.1329 -16.0225 15.0027 10.0065 -0.8940 0.4268 -0.0103
2 -4 -28 0.0900 2.4960 -3.6099 -27.7589 -0.1288 -0.9764 0.1732
-2 4 28 0.0903 -2.2212 3.8984 27.6214 0.1284 0.9732 -0.1908
15 16 -3 0.1377 15.0209 16.0043 -3.0029 0.0235 -0.0193 -0.9892
-1 0 -27 0.0733 -0.7404 -0.3651 -26.8918 -0.3292 -0.9288 0.1700
1 1 27 0.0736 0.9976 0.9964 27.0171 0.3211 0.9365 -0.1993
1 1 27 0.0736 0.9976 0.9964 27.0171 0.3211 0.9365 -0.1993
-14 -16 0 0.1367 -14.4708 -16.3316 0.1069 -0.0282 -0.0823 0.9962
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_3
C1 Sn1 C7 125.49(8) .
C1 Sn1 C13 118.46(7) .
C7 Sn1 C13 115.13(8) .
C1 Sn1 O1W 85.33(6) .
C7 Sn1 O1W 84.83(6) .
C13 Sn1 O1W 90.61(7) .
C1 Sn1 Cl1 90.76(5) .
C7 Sn1 Cl1 92.29(5) .
C13 Sn1 Cl1 96.86(6) .
O1W Sn1 Cl1 172.52(4) .
Sn1 O1W H11 123(2) .
Sn1 O1W H12 123(2) .
H11 O1W H12 105(3) .
C28 N1 C24 117.96(19) .
C23 N2 C19 117.66(18) .
C2 C1 C6 118.45(19) .
C2 C1 Sn1 120.91(15) .
C6 C1 Sn1 120.54(15) .
C3 C2 C1 121.5(2) .
C3 C2 H2 119.2 .
C1 C2 H2 119.2 .
C2 C3 C4 119.1(2) .
C2 C3 H3 120.4 .
C4 C3 H3 120.4 .
C5 C4 C3 120.5(2) .
C5 C4 H4 119.7 .
C3 C4 H4 119.7 .
C4 C5 C6 119.7(2) .
C4 C5 H5 120.2 .
C6 C5 H5 120.2 .
C1 C6 C5 120.7(2) .
C1 C6 H6 119.7 .
C5 C6 H6 119.7 .
C12 C7 C8 118.49(19) .
C12 C7 Sn1 119.71(16) .
C8 C7 Sn1 121.79(15) .
C9 C8 C7 120.8(2) .
C9 C8 H8 119.6 .
C7 C8 H8 119.6 .
C10 C9 C8 120.3(2) .
C10 C9 H9 119.9 .
C8 C9 H9 119.9 .
C11 C10 C9 119.7(2) .
C11 C10 H10 120.1 .
C9 C10 H10 120.1 .
C10 C11 C12 120.0(2) .
C10 C11 H11A 120.0 .
C12 C11 H11A 120.0 .
C7 C12 C11 120.6(2) .
C7 C12 H12A 119.7 .
C11 C12 H12A 119.7 .
C14 C13 C18 118.3(2) .
C14 C13 Sn1 120.42(15) .
C18 C13 Sn1 121.26(17) .
C13 C14 C15 120.9(2) .
C13 C14 H14 119.5 .
C15 C14 H14 119.5 .
C16 C15 C14 120.1(2) .
C16 C15 H15 120.0 .
C14 C15 H15 120.0 .
C17 C16 C15 119.6(2) .
C17 C16 H16 120.2 .
C15 C16 H16 120.2 .
C16 C17 C18 120.4(2) .
C16 C17 H17 119.8 .
C18 C17 H17 119.8 .
C17 C18 C13 120.6(2) .
C17 C18 H18 119.7 .
C13 C18 H18 119.7 .
N2 C19 C20 122.0(2) .
N2 C19 C19 115.97(13) 2_655
C20 C19 C19 122.07(15) 2_655
C21 C20 C19 119.3(2) .
C21 C20 H20 120.3 .
C19 C20 H20 120.3 .
C20 C21 C22 118.9(2) .
C20 C21 H21 120.6 .
C22 C21 H21 120.6 .
C23 C22 C21 118.1(2) .
C23 C22 H22 121.0 .
C21 C22 H22 121.0 .
N2 C23 C22 124.1(2) .
N2 C23 H23 118.0 .
C22 C23 H23 118.0 .
N1 C24 C25 122.0(2) .
N1 C24 C24 116.15(13) 2_655
C25 C24 C24 121.89(14) 2_655
C26 C25 C24 119.2(2) .
C26 C25 H25 120.4 .
C24 C25 H25 120.4 .
C25 C26 C27 118.8(2) .
C25 C26 H26 120.6 .
C27 C26 H26 120.6 .
C28 C27 C26 118.3(2) .
C28 C27 H27 120.9 .
C26 C27 H27 120.9 .
N1 C28 C27 123.8(2) .
N1 C28 H28 118.1 .
C27 C28 H28 118.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C1 2.125(2) .
Sn1 C7 2.125(2) .
Sn1 C13 2.135(2) .
Sn1 O1W 2.3204(15) .
Sn1 Cl1 2.5187(5) .
O1W H11 0.835(10) .
O1W H12 0.833(10) .
N1 C28 1.334(3) .
N1 C24 1.342(3) .
N2 C23 1.336(3) .
N2 C19 1.345(3) .
C1 C2 1.391(3) .
C1 C6 1.390(3) .
C2 C3 1.386(3) .
C2 H2 0.9500 .
C3 C4 1.387(3) .
C3 H3 0.9500 .
C4 C5 1.384(3) .
C4 H4 0.9500 .
C5 C6 1.394(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.390(3) .
C7 C8 1.394(3) .
C8 C9 1.383(3) .
C8 H8 0.9500 .
C9 C10 1.382(3) .
C9 H9 0.9500 .
C10 C11 1.384(4) .
C10 H10 0.9500 .
C11 C12 1.394(3) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.395(3) .
C13 C18 1.399(3) .
C14 C15 1.395(3) .
C14 H14 0.9500 .
C15 C16 1.388(3) .
C15 H15 0.9500 .
C16 C17 1.384(4) .
C16 H16 0.9500 .
C17 C18 1.394(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.393(3) .
C19 C19 1.483(4) 2_655
C20 C21 1.385(3) .
C20 H20 0.9500 .
C21 C22 1.384(3) .
C21 H21 0.9500 .
C22 C23 1.382(3) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C25 1.395(3) .
C24 C24 1.485(4) 2_655
C25 C26 1.384(4) .
C25 H25 0.9500 .
C26 C27 1.383(4) .
C26 H26 0.9500 .
C27 C28 1.383(3) .
C27 H27 0.9500 .
C28 H28 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1w H11 N1 0.84(1) 1.96(1) 2.786(2) 173(3)
O1w H12 N2 0.83(1) 1.94(1) 2.770(2) 175(3)
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_4
C7 Sn1 C1 C2 -32.2(2) . .
C13 Sn1 C1 C2 159.37(15) . .
O1W Sn1 C1 C2 -112.47(16) . .
Cl1 Sn1 C1 C2 61.14(16) . .
C7 Sn1 C1 C6 151.58(14) . .
C13 Sn1 C1 C6 -16.84(19) . .
O1W Sn1 C1 C6 71.33(16) . .
Cl1 Sn1 C1 C6 -115.07(15) . .
C6 C1 C2 C3 0.5(3) . .
Sn1 C1 C2 C3 -175.81(16) . .
C1 C2 C3 C4 -0.5(3) . .
C2 C3 C4 C5 0.2(3) . .
C3 C4 C5 C6 0.0(3) . .
C2 C1 C6 C5 -0.2(3) . .
Sn1 C1 C6 C5 176.08(15) . .
C4 C5 C6 C1 0.0(3) . .
C1 Sn1 C7 C12 -164.07(15) . .
C13 Sn1 C7 C12 4.69(19) . .
O1W Sn1 C7 C12 -83.56(17) . .
Cl1 Sn1 C7 C12 103.36(16) . .
C1 Sn1 C7 C8 14.9(2) . .
C13 Sn1 C7 C8 -176.34(16) . .
O1W Sn1 C7 C8 95.41(17) . .
Cl1 Sn1 C7 C8 -77.67(16) . .
C12 C7 C8 C9 0.3(3) . .
Sn1 C7 C8 C9 -178.65(17) . .
C7 C8 C9 C10 -1.3(4) . .
C8 C9 C10 C11 1.0(4) . .
C9 C10 C11 C12 0.3(3) . .
C8 C7 C12 C11 1.0(3) . .
Sn1 C7 C12 C11 179.97(17) . .
C10 C11 C12 C7 -1.3(3) . .
C1 Sn1 C13 C14 85.82(17) . .
C7 Sn1 C13 C14 -83.78(17) . .
O1W Sn1 C13 C14 0.80(15) . .
Cl1 Sn1 C13 C14 -179.57(15) . .
C1 Sn1 C13 C18 -95.62(16) . .
C7 Sn1 C13 C18 94.78(16) . .
O1W Sn1 C13 C18 179.35(16) . .
Cl1 Sn1 C13 C18 -1.01(16) . .
C18 C13 C14 C15 -0.3(3) . .
Sn1 C13 C14 C15 178.32(15) . .
C13 C14 C15 C16 0.8(3) . .
C14 C15 C16 C17 -1.0(3) . .
C15 C16 C17 C18 0.9(3) . .
C16 C17 C18 C13 -0.4(3) . .
C14 C13 C18 C17 0.1(3) . .
Sn1 C13 C18 C17 -178.50(15) . .
C23 N2 C19 C20 1.6(3) . .
C23 N2 C19 C19 -178.5(2) . 2_655
N2 C19 C20 C21 -2.4(3) . .
C19 C19 C20 C21 177.6(2) 2_655 .
C19 C20 C21 C22 1.1(3) . .
C20 C21 C22 C23 1.0(3) . .
C19 N2 C23 C22 0.6(3) . .
C21 C22 C23 N2 -1.9(3) . .
C28 N1 C24 C25 -0.1(3) . .
C28 N1 C24 C24 -179.7(2) . 2_655
N1 C24 C25 C26 0.3(3) . .
C24 C24 C25 C26 179.9(2) 2_655 .
C24 C25 C26 C27 -0.8(3) . .
C25 C26 C27 C28 1.0(3) . .
C24 N1 C28 C27 0.4(3) . .
C26 C27 C28 N1 -0.9(4) . .
