#------------------------------------------------------------------------------
#$Date: 2024-08-05 21:52:50 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293833 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/64/7716481.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_7716481
loop_
_publ_author_name
'Gon, Masayuki'
'Morisaki, Yusuke'
'Tanimura, Kazuya'
'Tanaka, Kazuo'
_publ_section_title
;
 Preparation of seven-coordinated hypervalent tin(IV)-fused azobenzene and
 applications for stimuli-responsive π-conjugated polymer films.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11858
_journal_page_last               11866
_journal_paper_doi               10.1039/d4dt01738b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C26 H24 Br2 N4 O2 Sn'
_chemical_formula_weight         703.00
_chemical_name_systematic        TAz-EDA
_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
;
2024-04-19 deposited with the CCDC.	2024-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                107.396(8)
_cell_angle_beta                 95.828(4)
_cell_angle_gamma                103.868(6)
_cell_formula_units_Z            2
_cell_length_a                   8.454(4)
_cell_length_b                   12.256(7)
_cell_length_c                   14.860(8)
_cell_measurement_reflns_used    4210
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1401.3(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'Yadokari-XG (Wakita, 2000)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, 2000)'
_computing_publication_material  'Yadokari-XG (Wakita, 2000)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0919
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11269
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.100
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    3.792
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.544
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Rigaku, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_recrystallization_method
'Vapor diffusion method from CHCl3 solution with ethylenediamine vapor'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.785
_refine_diff_density_min         -1.724
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         6096
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0345P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.1018
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4606
_reflns_number_total             6096
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01738b2.cif
_cod_data_source_block           TAz-EDA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7716480--7716481.cif.
;
_cod_database_code               7716481
_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.
;
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 0.8685(6) 0.6315(4) 0.8977(3) 0.0206(11) Uani 1 1 d . . . . .
C2 C 0.9678(6) 0.7087(4) 0.9860(3) 0.0217(11) Uani 1 1 d . . . . .
H1 H 0.9338 0.7739 1.0231 0.026 Uiso 1 1 calc R U . . .
C3 C 1.1131(6) 0.6905(4) 1.0187(3) 0.0216(11) Uani 1 1 d . . . . .
C4 C 1.1713(6) 0.5972(5) 0.9665(4) 0.0250(12) Uani 1 1 d . . . . .
H2 H 1.2720 0.5858 0.9910 0.030 Uiso 1 1 calc R U . . .
C5 C 1.0786(6) 0.5232(5) 0.8792(4) 0.0256(12) Uani 1 1 d . . . . .
H3 H 1.1151 0.4593 0.8423 0.031 Uiso 1 1 calc R U . . .
C6 C 0.7726(6) 0.2951(4) 0.6256(3) 0.0224(11) Uani 1 1 d . . . . .
C7 C 0.6501(6) 0.3140(4) 0.5643(3) 0.0194(11) Uani 1 1 d . . . . .
C8 C 0.5755(6) 0.2208(4) 0.4761(4) 0.0219(11) Uani 1 1 d . . . . .
H4 H 0.4921 0.2295 0.4331 0.026 Uiso 1 1 calc R U . . .
C9 C 0.6237(6) 0.1182(4) 0.4529(4) 0.0240(11) Uani 1 1 d . . . . .
C10 C 0.7378(7) 0.0964(5) 0.5140(4) 0.0258(12) Uani 1 1 d . . . . .
H5 H 0.7638 0.0225 0.4977 0.031 Uiso 1 1 calc R U . . .
C11 C 0.8112(7) 0.1857(5) 0.5987(4) 0.0268(12) Uani 1 1 d . . . . .
H6 H 0.8916 0.1736 0.6413 0.032 Uiso 1 1 calc R U . . .
C12 C 0.7504(6) 0.6804(4) 0.6812(3) 0.0190(11) Uani 1 1 d . . . . .
C13 C 0.7575(7) 0.8002(5) 0.7228(4) 0.0317(14) Uani 1 1 d . . . . .
H7 H 0.6911 0.8216 0.7693 0.038 Uiso 1 1 calc R U . . .
C14 C 0.8590(8) 0.8876(5) 0.6978(5) 0.0453(17) Uani 1 1 d . . . . .
H8 H 0.8621 0.9685 0.7275 0.054 Uiso 1 1 calc R U . . .
C15 C 0.9571(7) 0.8597(5) 0.6298(4) 0.0396(16) Uani 1 1 d . . . . .
H9 H 1.0252 0.9208 0.6121 0.047 Uiso 1 1 calc R U . . .
C16 C 0.9545(7) 0.7435(5) 0.5886(4) 0.0307(13) Uani 1 1 d . . . . .
H10 H 1.0224 0.7232 0.5427 0.037 Uiso 1 1 calc R U . . .
C17 C 0.8512(6) 0.6543(4) 0.6142(3) 0.0215(11) Uani 1 1 d . . . . .
H11 H 0.8499 0.5737 0.5850 0.026 Uiso 1 1 calc R U . . .
C18 C 0.4427(6) 0.4020(4) 0.7582(3) 0.0201(11) Uani 1 1 d . . . . .
C19 C 0.4514(6) 0.4124(5) 0.8556(4) 0.0247(12) Uani 1 1 d . . . . .
H12 H 0.5238 0.4812 0.9039 0.030 Uiso 1 1 calc R U . . .
C20 C 0.3526(7) 0.3205(5) 0.8812(4) 0.0306(13) Uani 1 1 d . . . . .
H13 H 0.3585 0.3272 0.9469 0.037 Uiso 1 1 calc R U . . .
C21 C 0.2478(7) 0.2212(5) 0.8115(4) 0.0309(13) Uani 1 1 d . . . . .
H14 H 0.1800 0.1597 0.8289 0.037 Uiso 1 1 calc R U . . .
C22 C 0.2408(6) 0.2106(5) 0.7156(4) 0.0284(12) Uani 1 1 d . . . . .
H15 H 0.1687 0.1415 0.6675 0.034 Uiso 1 1 calc R U . . .
C23 C 0.3382(6) 0.2999(4) 0.6895(4) 0.0245(12) Uani 1 1 d . . . . .
H16 H 0.3331 0.2909 0.6235 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2920(7) 0.6716(5) 0.7250(4) 0.0305(13) Uani 1 1 d . . . . .
H17 H 0.3354 0.7362 0.6991 0.037 Uiso 1 1 calc R U . . .
H18 H 0.2019 0.6906 0.7588 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2253(6) 0.5552(5) 0.6443(4) 0.0301(13) Uani 1 1 d . . . . .
H19 H 0.1660 0.4928 0.6684 0.036 Uiso 1 1 calc R U . . .
H20 H 0.1463 0.5630 0.5943 0.036 Uiso 1 1 calc R U . . .
C28 C 0.9306(6) 0.5408(4) 0.8437(3) 0.0200(11) Uani 1 1 d . . . . .
O1 O 0.7218(4) 0.6430(3) 0.8684(2) 0.0230(8) Uani 1 1 d . . . . .
O2 O 0.6078(4) 0.4138(3) 0.5819(2) 0.0206(8) Uani 1 1 d . . . . .
N1 N 0.8270(5) 0.4673(4) 0.7548(3) 0.0199(9) Uani 1 1 d . . . . .
N2 N 0.8691(5) 0.3738(4) 0.7144(3) 0.0223(9) Uani 1 1 d . . . . .
N3 N 0.4262(6) 0.6641(5) 0.7929(3) 0.0258(10) Uani 1 1 d . . . . .
H21 H 0.489(6) 0.734(4) 0.831(3) 0.017(14) Uiso 1 1 d D . . . .
H22 H 0.388(7) 0.622(4) 0.829(4) 0.06(2) Uiso 1 1 d D . . . .
N4 N 0.3659(5) 0.5220(4) 0.6036(3) 0.0232(10) Uani 1 1 d . . . . .
H23 H 0.382(6) 0.554(4) 0.558(4) 0.035(17) Uiso 1 1 d D . . . .
H24 H 0.331(6) 0.439(4) 0.569(4) 0.033(16) Uiso 1 1 d D . . . .
Br1 Br 1.23928(7) 0.79445(5) 1.14087(4) 0.03459(16) Uani 1 1 d . . . . .
Br2 Br 0.53079(8) 0.00130(5) 0.32993(4) 0.03450(16) Uani 1 1 d . . . . .
Sn1 Sn 0.59453(4) 0.54363(3) 0.72080(2) 0.01910(10) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
O1 C1 C2 120.8(5) . . ?
O1 C1 C28 122.2(5) . . ?
C2 C1 C28 117.0(5) . . ?
C3 C2 C1 120.2(5) . . ?
C3 C2 H1 119.9 . . ?
C1 C2 H1 119.9 . . ?
C2 C3 C4 122.6(5) . . ?
C2 C3 Br1 118.6(4) . . ?
C4 C3 Br1 118.9(4) . . ?
C5 C4 C3 118.0(5) . . ?
C5 C4 H2 121.0 . . ?
C3 C4 H2 121.0 . . ?
C4 C5 C28 120.6(5) . . ?
C4 C5 H3 119.7 . . ?
C28 C5 H3 119.7 . . ?
C11 C6 N2 111.8(5) . . ?
C11 C6 C7 119.6(5) . . ?
N2 C6 C7 128.6(5) . . ?
O2 C7 C6 124.3(5) . . ?
O2 C7 C8 118.4(4) . . ?
C6 C7 C8 117.2(5) . . ?
C9 C8 C7 120.1(5) . . ?
C9 C8 H4 120.0 . . ?
C7 C8 H4 120.0 . . ?
C8 C9 C10 123.3(5) . . ?
C8 C9 Br2 118.1(4) . . ?
C10 C9 Br2 118.6(4) . . ?
C11 C10 C9 117.1(5) . . ?
C11 C10 H5 121.5 . . ?
C9 C10 H5 121.5 . . ?
C10 C11 C6 122.7(5) . . ?
C10 C11 H6 118.7 . . ?
C6 C11 H6 118.7 . . ?
C17 C12 C13 117.0(4) . . ?
C17 C12 Sn1 121.6(4) . . ?
C13 C12 Sn1 121.4(4) . . ?
C14 C13 C12 121.1(5) . . ?
C14 C13 H7 119.4 . . ?
C12 C13 H7 119.4 . . ?
C13 C14 C15 121.1(5) . . ?
C13 C14 H8 119.5 . . ?
C15 C14 H8 119.5 . . ?
C16 C15 C14 119.2(5) . . ?
C16 C15 H9 120.4 . . ?
C14 C15 H9 120.4 . . ?
C15 C16 C17 119.7(5) . . ?
C15 C16 H10 120.2 . . ?
C17 C16 H10 120.2 . . ?
C12 C17 C16 121.9(5) . . ?
C12 C17 H11 119.1 . . ?
C16 C17 H11 119.1 . . ?
C23 C18 C19 118.7(5) . . ?
C23 C18 Sn1 122.2(4) . . ?
C19 C18 Sn1 119.2(4) . . ?
C20 C19 C18 119.8(5) . . ?
C20 C19 H12 120.1 . . ?
C18 C19 H12 120.1 . . ?
C21 C20 C19 120.1(5) . . ?
C21 C20 H13 120.0 . . ?
C19 C20 H13 120.0 . . ?
C20 C21 C22 120.0(5) . . ?
C20 C21 H14 120.0 . . ?
C22 C21 H14 120.0 . . ?
C23 C22 C21 120.5(5) . . ?
C23 C22 H15 119.8 . . ?
C21 C22 H15 119.8 . . ?
C18 C23 C22 121.0(5) . . ?
C18 C23 H16 119.5 . . ?
C22 C23 H16 119.5 . . ?
N3 C24 C25 109.7(4) . . ?
N3 C24 H17 109.7 . . ?
C25 C24 H17 109.7 . . ?
N3 C24 H18 109.7 . . ?
C25 C24 H18 109.7 . . ?
H17 C24 H18 108.2 . . ?
N4 C25 C24 108.3(4) . . ?
N4 C25 H19 110.0 . . ?
C24 C25 H19 110.0 . . ?
N4 C25 H20 110.0 . . ?
C24 C25 H20 110.0 . . ?
H19 C25 H20 108.4 . . ?
C5 C28 C1 121.6(5) . . ?
C5 C28 N1 123.9(5) . . ?
C1 C28 N1 114.5(4) . . ?
C1 O1 Sn1 119.0(3) . . ?
C7 O2 Sn1 130.2(3) . . ?
N2 N1 C28 113.9(4) . . ?
N2 N1 Sn1 134.8(3) . . ?
C28 N1 Sn1 111.1(3) . . ?
N1 N2 C6 117.8(4) . . ?
C24 N3 Sn1 115.0(3) . . ?
C24 N3 H21 113(3) . . ?
Sn1 N3 H21 110(3) . . ?
C24 N3 H22 112(4) . . ?
Sn1 N3 H22 97(4) . . ?
H21 N3 H22 108(4) . . ?
C25 N4 Sn1 113.9(3) . . ?
C25 N4 H23 107(3) . . ?
Sn1 N4 H23 120(3) . . ?
C25 N4 H24 108(3) . . ?
Sn1 N4 H24 104(3) . . ?
H23 N4 H24 102(4) . . ?
C12 Sn1 C18 177.97(18) . . ?
C12 Sn1 O1 87.11(16) . . ?
C18 Sn1 O1 93.56(16) . . ?
C12 Sn1 O2 87.70(16) . . ?
C18 Sn1 O2 90.66(16) . . ?
O1 Sn1 O2 144.83(12) . . ?
C12 Sn1 N4 91.84(17) . . ?
C18 Sn1 N4 88.76(17) . . ?
O1 Sn1 N4 143.58(14) . . ?
O2 Sn1 N4 71.34(14) . . ?
C12 Sn1 N3 94.84(18) . . ?
C18 Sn1 N3 87.18(18) . . ?
O1 Sn1 N3 73.34(14) . . ?
O2 Sn1 N3 141.79(14) . . ?
N4 Sn1 N3 70.48(16) . . ?
C12 Sn1 N1 91.51(16) . . ?
C18 Sn1 N1 86.89(16) . . ?
O1 Sn1 N1 71.51(13) . . ?
O2 Sn1 N1 73.89(13) . . ?
N4 Sn1 N1 144.88(15) . . ?
N3 Sn1 N1 143.87(14) . . ?
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 O1 1.326(5) . ?
C1 C2 1.405(6) . ?
C1 C28 1.409(7) . ?
C2 C3 1.368(7) . ?
C2 H1 0.9500 . ?
C3 C4 1.403(7) . ?
C3 Br1 1.905(5) . ?
C4 C5 1.367(7) . ?
C4 H2 0.9500 . ?
C5 C28 1.397(7) . ?
C5 H3 0.9500 . ?
C6 C11 1.406(7) . ?
C6 N2 1.407(6) . ?
C6 C7 1.416(7) . ?
C7 O2 1.316(6) . ?
C7 C8 1.419(6) . ?
C8 C9 1.372(7) . ?
C8 H4 0.9500 . ?
C9 C10 1.385(7) . ?
C9 Br2 1.900(5) . ?
C10 C11 1.363(7) . ?
C10 H5 0.9500 . ?
C11 H6 0.9500 . ?
C12 C17 1.389(6) . ?
C12 C13 1.396(7) . ?
C12 Sn1 2.141(5) . ?
C13 C14 1.373(7) . ?
C13 H7 0.9500 . ?
C14 C15 1.387(8) . ?
C14 H8 0.9500 . ?
C15 C16 1.366(7) . ?
C15 H9 0.9500 . ?
C16 C17 1.400(6) . ?
C16 H10 0.9500 . ?
C17 H11 0.9500 . ?
C18 C23 1.383(7) . ?
C18 C19 1.408(6) . ?
C18 Sn1 2.150(5) . ?
C19 C20 1.408(7) . ?
C19 H12 0.9500 . ?
C20 C21 1.372(7) . ?
C20 H13 0.9500 . ?
C21 C22 1.384(7) . ?
C21 H14 0.9500 . ?
C22 C23 1.383(6) . ?
C22 H15 0.9500 . ?
C23 H16 0.9500 . ?
C24 N3 1.480(6) . ?
C24 C25 1.498(7) . ?
C24 H17 0.9900 . ?
C24 H18 0.9900 . ?
C25 N4 1.475(6) . ?
C25 H19 0.9900 . ?
C25 H20 0.9900 . ?
C28 N1 1.415(6) . ?
O1 Sn1 2.179(3) . ?
O2 Sn1 2.230(3) . ?
N1 N2 1.275(5) . ?
N1 Sn1 2.440(4) . ?
N3 Sn1 2.392(5) . ?
N3 H21 0.87(5) . ?
N3 H22 0.88(5) . ?
N4 Sn1 2.373(4) . ?
N4 H23 0.89(5) . ?
N4 H24 0.94(5) . ?
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
O1 C1 C2 C3 175.1(4) . . . . ?
C28 C1 C2 C3 -3.6(7) . . . . ?
C1 C2 C3 C4 1.2(8) . . . . ?
C1 C2 C3 Br1 -177.8(3) . . . . ?
C2 C3 C4 C5 0.7(7) . . . . ?
Br1 C3 C4 C5 179.7(4) . . . . ?
C3 C4 C5 C28 0.0(7) . . . . ?
C11 C6 C7 O2 -178.4(4) . . . . ?
N2 C6 C7 O2 0.9(8) . . . . ?
C11 C6 C7 C8 -1.9(7) . . . . ?
N2 C6 C7 C8 177.4(4) . . . . ?
O2 C7 C8 C9 176.2(4) . . . . ?
C6 C7 C8 C9 -0.5(7) . . . . ?
C7 C8 C9 C10 3.6(8) . . . . ?
C7 C8 C9 Br2 -175.6(3) . . . . ?
C8 C9 C10 C11 -4.0(8) . . . . ?
Br2 C9 C10 C11 175.3(4) . . . . ?
C9 C10 C11 C6 1.3(8) . . . . ?
N2 C6 C11 C10 -177.8(4) . . . . ?
C7 C6 C11 C10 1.6(8) . . . . ?
C17 C12 C13 C14 0.5(8) . . . . ?
Sn1 C12 C13 C14 179.4(4) . . . . ?
C12 C13 C14 C15 0.4(10) . . . . ?
C13 C14 C15 C16 -1.2(10) . . . . ?
C14 C15 C16 C17 1.1(9) . . . . ?
C13 C12 C17 C16 -0.6(7) . . . . ?
Sn1 C12 C17 C16 -179.5(4) . . . . ?
C15 C16 C17 C12 -0.2(8) . . . . ?
C23 C18 C19 C20 -1.0(7) . . . . ?
Sn1 C18 C19 C20 179.9(4) . . . . ?
C18 C19 C20 C21 -0.2(8) . . . . ?
C19 C20 C21 C22 0.9(8) . . . . ?
C20 C21 C22 C23 -0.4(8) . . . . ?
C19 C18 C23 C22 1.5(8) . . . . ?
Sn1 C18 C23 C22 -179.4(4) . . . . ?
C21 C22 C23 C18 -0.8(8) . . . . ?
N3 C24 C25 N4 -52.1(6) . . . . ?
C4 C5 C28 C1 -2.7(7) . . . . ?
C4 C5 C28 N1 -179.1(4) . . . . ?
O1 C1 C28 C5 -174.3(4) . . . . ?
C2 C1 C28 C5 4.4(7) . . . . ?
O1 C1 C28 N1 2.5(7) . . . . ?
C2 C1 C28 N1 -178.8(4) . . . . ?
C2 C1 O1 Sn1 168.7(3) . . . . ?
C28 C1 O1 Sn1 -12.7(6) . . . . ?
C6 C7 O2 Sn1 -34.4(7) . . . . ?
C8 C7 O2 Sn1 149.2(3) . . . . ?
C5 C28 N1 N2 8.3(7) . . . . ?
C1 C28 N1 N2 -168.4(4) . . . . ?
C5 C28 N1 Sn1 -176.0(4) . . . . ?
C1 C28 N1 Sn1 7.3(5) . . . . ?
C28 N1 N2 C6 179.8(4) . . . . ?
Sn1 N1 N2 C6 5.5(6) . . . . ?
C11 C6 N2 N1 -168.1(4) . . . . ?
C7 C6 N2 N1 12.6(7) . . . . ?
C25 C24 N3 Sn1 34.7(5) . . . . ?
C24 C25 N4 Sn1 46.2(5) . . . . ?
