#------------------------------------------------------------------------------
#$Date: 2023-09-05 22:40:28 +0300 (Tue, 05 Sep 2023) $
#$Revision: 286107 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/70/7247030.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_7247030
loop_
_publ_author_name
'Faraonov, Maxim A.'
'Yudanova, Evgeniya I.'
'Kuzmin, Alexey V.'
'Khasanov, Salavat S.'
'Troyanov, Sergey I.'
'Otsuka, Akihiro'
'Yamochi, Hideki'
'Kitagawa, Hiroshi'
'Konarev, Dmitri V.'
_publ_section_title
;
 Synthesis, structure and properties of coordination complexes of tin(ii)
 phthalocyanine and naphthalocyanine with transition metal fragments
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4620
_journal_page_last               4637
_journal_paper_doi               10.1039/D3CE00564J
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C32 H16 N8 Sn, C8 H5 O3 V, C6 H4 Cl2'
_chemical_formula_sum            'C46 H25 Cl2 N8 O3 Sn V'
_chemical_formula_weight         978.27
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2023-05-20 deposited with the CCDC.	2023-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                99.140(2)
_cell_angle_beta                 103.140(2)
_cell_angle_gamma                109.704(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1076(3)
_cell_length_b                   12.5476(3)
_cell_length_c                   13.9976(3)
_cell_measurement_reflns_used    23648
_cell_measurement_temperature    130(1)
_cell_measurement_theta_max      28.6750
_cell_measurement_theta_min      3.5210
_cell_volume                     1884.19(9)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    WinGx
_computing_publication_material  WinGx
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      130(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4566
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0166
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32605
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.698
_diffrn_reflns_theta_min         3.471
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_description       plate
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         9638
_refine_ls_number_restraints     392
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0184
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0229P)²+1.0031P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0482
_refine_ls_wR_factor_ref         0.0492
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9108
_reflns_number_total             9638
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00564j2.cif
_cod_data_source_block           CpVCO3SnPcC6H4Cl2
_cod_depositor_comments
'Adding full bibliography for 7247026--7247038.cif.'
_cod_original_cell_volume        1884.18(8)
_cod_database_code               7247030
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.665
_shelx_estimated_absorpt_t_max   0.947
_shelxl_version_number           2013-2
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
Sn Sn 0.40048(2) 0.27629(2) 0.35648(2) 0.01115(3) Uani 1 1 d . U . . .
N1 N 0.37071(10) 0.26381(10) 0.50300(8) 0.0134(2) Uani 1 1 d . U . . .
N2 N 0.57122(10) 0.26514(10) 0.43779(8) 0.0133(2) Uani 1 1 d . U . . .
N3 N 0.53917(10) 0.42063(10) 0.32517(8) 0.0137(2) Uani 1 1 d . U . . .
N4 N 0.33891(10) 0.41954(10) 0.39045(8) 0.0145(2) Uani 1 1 d . U . . .
N5 N 0.21371(10) 0.34465(10) 0.49697(8) 0.0144(2) Uani 1 1 d . U . . .
N6 N 0.50317(10) 0.16344(10) 0.56052(8) 0.0142(2) Uani 1 1 d . U . . .
N7 N 0.69935(10) 0.34367(10) 0.33460(8) 0.0144(2) Uani 1 1 d . U . . .
N8 N 0.41364(10) 0.52963(10) 0.27431(9) 0.0153(2) Uani 1 1 d . U . . .
C1 C 0.27518(12) 0.28243(11) 0.53179(10) 0.0138(2) Uani 1 1 d . U . . .
C2 C 0.25157(12) 0.22310(11) 0.61068(10) 0.0141(2) Uani 1 1 d . U . . .
C3 C 0.33773(12) 0.17198(11) 0.63055(10) 0.0139(2) Uani 1 1 d . U . . .
C4 C 0.41142(12) 0.19830(11) 0.56207(10) 0.0135(2) Uani 1 1 d . U . . .
C5 C 0.57651(11) 0.19512(11) 0.50380(10) 0.0135(2) Uani 1 1 d . U . . .
C6 C 0.68126(12) 0.16240(11) 0.50642(10) 0.0140(2) Uani 1 1 d . U . . .
C7 C 0.73904(12) 0.21577(11) 0.44074(10) 0.0142(2) Uani 1 1 d . U . . .
C8 C 0.66924(11) 0.28044(11) 0.39896(10) 0.0136(2) Uani 1 1 d . U . . .
C9 C 0.63864(12) 0.40749(11) 0.30048(10) 0.0141(2) Uani 1 1 d . U . . .
C10 C 0.66844(12) 0.47410(11) 0.22743(10) 0.0144(2) Uani 1 1 d . U . . .
C11 C 0.58367(12) 0.52705(11) 0.20899(10) 0.0152(2) Uani 1 1 d . U . . .
C12 C 0.50473(12) 0.49395(11) 0.27220(10) 0.0143(2) Uani 1 1 d . U . . .
C13 C 0.33944(12) 0.49678(11) 0.33014(10) 0.0149(2) Uani 1 1 d . U . . .
C14 C 0.23928(12) 0.53514(11) 0.33208(10) 0.0151(2) Uani 1 1 d . U . . .
C15 C 0.17814(12) 0.47735(11) 0.39427(10) 0.0150(2) Uani 1 1 d . U . . .
C16 C 0.24367(12) 0.40745(11) 0.43179(10) 0.0144(2) Uani 1 1 d . U . . .
C17 C 0.16501(12) 0.21253(12) 0.66327(10) 0.0167(2) Uani 1 1 d . U . . .
H17 H 0.1073 0.2483 0.6507 0.020 Uiso 1 1 calc R U . . .
C18 C 0.16668(13) 0.14758(13) 0.73469(11) 0.0199(3) Uani 1 1 d . U . . .
H18 H 0.1077 0.1372 0.7707 0.024 Uiso 1 1 calc R U . . .
C19 C 0.25362(13) 0.09690(13) 0.75473(11) 0.0203(3) Uani 1 1 d . U . . .
H19 H 0.2528 0.0536 0.8046 0.024 Uiso 1 1 calc R U . . .
C20 C 0.34082(13) 0.10849(12) 0.70346(10) 0.0175(3) Uani 1 1 d . U . . .
H20 H 0.4001 0.0746 0.7175 0.021 Uiso 1 1 calc R U . . .
C21 C 0.72754(12) 0.09546(12) 0.56147(10) 0.0169(2) Uani 1 1 d . U . . .
H21 H 0.6891 0.0606 0.6071 0.020 Uiso 1 1 calc R U . . .
C22 C 0.83215(13) 0.08177(13) 0.54697(11) 0.0190(3) Uani 1 1 d . U . . .
H22 H 0.8655 0.0360 0.5829 0.023 Uiso 1 1 calc R U . . .
C23 C 0.88958(12) 0.13425(12) 0.48030(11) 0.0189(3) Uani 1 1 d . U . . .
H23 H 0.9604 0.1225 0.4713 0.023 Uiso 1 1 calc R U . . .
C24 C 0.84487(12) 0.20296(12) 0.42733(10) 0.0166(2) Uani 1 1 d . U . . .
H24 H 0.8849 0.2400 0.3835 0.020 Uiso 1 1 calc R U . . .
C25 C 0.75619(13) 0.48620(12) 0.17572(10) 0.0181(3) Uani 1 1 d . U . . .
H25 H 0.8141 0.4506 0.1880 0.022 Uiso 1 1 calc R U . . .
C26 C 0.75475(14) 0.55276(14) 0.10548(12) 0.0240(3) Uani 1 1 d . U . . .
H26 H 0.8134 0.5632 0.0692 0.029 Uiso 1 1 calc R U . . .
C27 C 0.66916(15) 0.60471(14) 0.08686(12) 0.0247(3) Uani 1 1 d . U . . .
H27 H 0.6706 0.6490 0.0377 0.030 Uiso 1 1 calc R U . . .
C28 C 0.58243(13) 0.59327(12) 0.13818(11) 0.0196(3) Uani 1 1 d . U . . .
H28 H 0.5246 0.6290 0.1256 0.024 Uiso 1 1 calc R U . . .
C29 C 0.19849(13) 0.60985(12) 0.28398(11) 0.0186(3) Uani 1 1 d . U . . .
H29 H 0.2413 0.6510 0.2435 0.022 Uiso 1 1 calc R U . . .
C30 C 0.09276(13) 0.62198(13) 0.29749(11) 0.0203(3) Uani 1 1 d . U . . .
H30 H 0.0620 0.6714 0.2648 0.024 Uiso 1 1 calc R U . . .
C31 C 0.03057(13) 0.56263(13) 0.35849(11) 0.0198(3) Uani 1 1 d . U . . .
H31 H -0.0417 0.5725 0.3661 0.024 Uiso 1 1 calc R U . . .
C32 C 0.07252(13) 0.48979(12) 0.40792(10) 0.0173(3) Uani 1 1 d . U . . .
H32 H 0.0306 0.4499 0.4495 0.021 Uiso 1 1 calc R U . . .
V V 0.25679(2) 0.11270(2) 0.18719(2) 0.01270(5) Uani 1 1 d . U . . .
C33 C 0.14506(12) 0.12634(12) 0.26221(10) 0.0177(2) Uani 1 1 d . U . . .
C34 C 0.15901(13) -0.04618(13) 0.18030(11) 0.0204(3) Uani 1 1 d . U . . .
C35 C 0.37814(13) 0.05484(12) 0.24455(11) 0.0181(3) Uani 1 1 d . U . . .
O1 O 0.07211(10) 0.13000(11) 0.30239(9) 0.0284(2) Uani 1 1 d . U . . .
O2 O 0.10007(11) -0.14101(10) 0.17758(9) 0.0318(3) Uani 1 1 d . U . . .
O3 O 0.44989(11) 0.01674(10) 0.27402(9) 0.0282(2) Uani 1 1 d . U . . .
C36 C 0.15158(14) 0.15286(14) 0.04987(11) 0.0225(3) Uani 1 1 d . U . . .
H36 H 0.0699 0.1488 0.0403 0.027 Uiso 1 1 calc R U . . .
C37 C 0.18506(14) 0.06096(14) 0.01335(11) 0.0231(3) Uani 1 1 d . U . . .
H37 H 0.1299 -0.0160 -0.0246 0.028 Uiso 1 1 calc R U . . .
C38 C 0.31470(14) 0.10275(13) 0.04282(11) 0.0214(3) Uani 1 1 d . U . . .
H38 H 0.3620 0.0590 0.0279 0.026 Uiso 1 1 calc R U . . .
C39 C 0.36167(13) 0.22096(13) 0.09830(10) 0.0195(3) Uani 1 1 d . U . . .
H39 H 0.4462 0.2709 0.1273 0.023 Uiso 1 1 calc R U . . .
C40 C 0.26017(14) 0.25224(13) 0.10312(11) 0.0201(3) Uani 1 1 d . U . . .
H40 H 0.2646 0.3265 0.1362 0.024 Uiso 1 1 calc R U . . .
Cl1 Cl 0.6291(2) 0.1122(2) 0.13314(14) 0.0278(2) Uani 0.734(3) 1 d D U P A 1
Cl2 Cl 0.58691(13) 0.20491(18) -0.06424(12) 0.0407(3) Uani 0.734(3) 1 d D U P A
1
C1S C 0.75149(18) 0.1983(5) 0.1003(3) 0.0215(4) Uani 0.734(3) 1 d DG U P A 1
C2S C 0.73327(14) 0.2400(3) 0.01420(18) 0.0251(4) Uani 0.734(3) 1 d DG U P A 1
C3S C 0.83361(18) 0.3127(4) -0.0087(2) 0.0340(5) Uani 0.734(3) 1 d DG U P A 1
H3S H 0.8212 0.3412 -0.0675 0.041 Uiso 0.734(3) 1 calc R U P A 1
C4S C 0.95217(15) 0.3436(5) 0.0546(3) 0.0371(6) Uani 0.734(3) 1 d DG U P A 1
H4S H 1.0208 0.3932 0.0389 0.044 Uiso 0.734(3) 1 calc R U P A 1
C5S C 0.97040(16) 0.3018(6) 0.1406(4) 0.0325(6) Uani 0.734(3) 1 d DG U P A 1
H5S H 1.0514 0.3229 0.1838 0.039 Uiso 0.734(3) 1 calc R U P A 1
C6S C 0.8701(2) 0.2292(6) 0.1635(4) 0.0267(6) Uani 0.734(3) 1 d DG U P A 1
H6S H 0.8825 0.2006 0.2223 0.032 Uiso 0.734(3) 1 calc R U P A 1
Cl3 Cl 0.6268(6) 0.1219(7) 0.1099(5) 0.0370(10) Uani 0.250(3) 1 d D U P B 2
Cl4 Cl 0.6189(4) 0.2254(5) -0.0826(4) 0.0471(12) Uani 0.250(3) 1 d D U P B 2
C11S C 0.7601(5) 0.2058(15) 0.0890(9) 0.0221(10) Uani 0.250(3) 1 d DG U P B 2
C12S C 0.7569(4) 0.2558(9) 0.0072(6) 0.0247(9) Uani 0.250(3) 1 d DG U P B 2
C13S C 0.8660(5) 0.3260(11) -0.0060(8) 0.0320(10) Uani 0.250(3) 1 d DG U P B 2
H13S H 0.8638 0.3602 -0.0619 0.038 Uiso 0.250(3) 1 calc R U P B 2
C14S C 0.9782(4) 0.3460(15) 0.0626(10) 0.0361(11) Uani 0.250(3) 1 d DG U P B 2
H14S H 1.0528 0.3939 0.0535 0.043 Uiso 0.250(3) 1 calc R U P B 2
C15S C 0.9814(5) 0.2960(18) 0.1444(12) 0.0320(11) Uani 0.250(3) 1 d DG U P B 2
H15S H 1.0582 0.3097 0.1913 0.038 Uiso 0.250(3) 1 calc R U P B 2
C16S C 0.8724(6) 0.2258(19) 0.1576(11) 0.0248(9) Uani 0.250(3) 1 d DG U P B 2
H16S H 0.8745 0.1916 0.2135 0.030 Uiso 0.250(3) 1 calc R U P B 2
Cl5 Cl 0.6556(17) 0.264(2) -0.1079(18) 0.026(7) Uiso 0.0159(12) 1 d D . P C 3
Cl6 Cl 0.9457(17) 0.393(2) -0.0231(18) 0.034(7) Uiso 0.0159(12) 1 d D . P C 3
C21S C 0.738(2) 0.246(3) 0.002(2) 0.0244(10) Uiso 0.0159(12) 1 d DG U P C 3
C22S C 0.865(2) 0.298(4) 0.036(3) 0.03(3) Uiso 0.0159(12) 1 d DG . P C 3
C23S C 0.930(3) 0.275(5) 0.121(4) 0.0295(13) Uiso 0.0159(12) 1 d DG U P C 3
H23S H 1.0172 0.3101 0.1444 0.035 Uiso 0.0159(12) 1 calc R U P C 3
C24S C 0.866(4) 0.199(6) 0.171(4) 0.0259(10) Uiso 0.0159(12) 1 d DG U P C 3
H24S H 0.9105 0.1834 0.2283 0.031 Uiso 0.0159(12) 1 calc R U P C 3
C25S C 0.739(4) 0.147(6) 0.136(4) 0.07(5) Uiso 0.0159(12) 1 d DG . P C 3
H25S H 0.6954 0.0957 0.1702 0.083 Uiso 0.0159(12) 1 calc R U P C 3
C26S C 0.674(3) 0.170(5) 0.052(3) 0.060 Uiso 0.0159(12) 1 d DG U P C 3
H26S H 0.5869 0.1349 0.0282 0.072 Uiso 0.0159(12) 1 calc R U P C 3
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'
V V 0.3005 0.5294 '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 Sn N2 79.03(4) . . ?
N1 Sn N4 78.49(4) . . ?
N2 Sn N4 127.07(4) . . ?
N1 Sn N3 127.20(4) . . ?
N2 Sn N3 78.32(4) . . ?
N4 Sn N3 78.44(4) . . ?
N1 Sn V 121.54(3) . . ?
N2 Sn V 118.66(3) . . ?
N4 Sn V 113.99(3) . . ?
N3 Sn V 111.20(3) . . ?
C4 N1 C1 108.10(10) . . ?
C4 N1 Sn 124.34(8) . . ?
C1 N1 Sn 123.77(8) . . ?
C5 N2 C8 108.12(10) . . ?
C5 N2 Sn 123.29(8) . . ?
C8 N2 Sn 122.71(8) . . ?
C9 N3 C12 108.15(10) . . ?
C9 N3 Sn 121.27(8) . . ?
C12 N3 Sn 120.59(8) . . ?
C16 N4 C13 108.27(11) . . ?
C16 N4 Sn 121.78(9) . . ?
C13 N4 Sn 121.87(8) . . ?
C1 N5 C16 122.75(11) . . ?
C5 N6 C4 123.16(11) . . ?
C8 N7 C9 123.01(11) . . ?
C13 N8 C12 123.05(12) . . ?
N5 C1 N1 127.61(12) . . ?
N5 C1 C2 123.35(11) . . ?
N1 C1 C2 109.03(11) . . ?
C17 C2 C3 121.23(12) . . ?
C17 C2 C1 131.95(12) . . ?
C3 C2 C1 106.82(11) . . ?
C20 C3 C2 121.51(12) . . ?
C20 C3 C4 131.67(12) . . ?
C2 C3 C4 106.81(11) . . ?
N6 C4 N1 127.60(12) . . ?
N6 C4 C3 123.18(12) . . ?
N1 C4 C3 109.22(11) . . ?
N6 C5 N2 127.61(12) . . ?
N6 C5 C6 123.14(12) . . ?
N2 C5 C6 109.20(11) . . ?
C21 C6 C7 121.49(12) . . ?
C21 C6 C5 131.77(12) . . ?
C7 C6 C5 106.71(11) . . ?
C24 C7 C6 121.03(12) . . ?
C24 C7 C8 132.15(12) . . ?
C6 C7 C8 106.81(11) . . ?
N7 C8 N2 127.57(12) . . ?
N7 C8 C7 123.28(11) . . ?
N2 C8 C7 109.15(11) . . ?
N7 C9 N3 127.39(12) . . ?
N7 C9 C10 123.42(12) . . ?
N3 C9 C10 109.18(11) . . ?
C25 C10 C11 121.20(12) . . ?
C25 C10 C9 132.07(12) . . ?
C11 C10 C9 106.65(11) . . ?
C28 C11 C10 121.64(12) . . ?
C28 C11 C12 131.49(13) . . ?
C10 C11 C12 106.83(11) . . ?
N8 C12 N3 127.71(12) . . ?
N8 C12 C11 123.12(12) . . ?
N3 C12 C11 109.16(11) . . ?
N8 C13 N4 127.64(12) . . ?
N8 C13 C14 123.13(12) . . ?
N4 C13 C14 109.16(11) . . ?
C29 C14 C15 121.19(12) . . ?
C29 C14 C13 132.31(13) . . ?
C15 C14 C13 106.48(11) . . ?
C32 C15 C14 121.29(12) . . ?
C32 C15 C16 131.66(13) . . ?
C14 C15 C16 107.01(11) . . ?
N5 C16 N4 127.71(12) . . ?
N5 C16 C15 123.25(12) . . ?
N4 C16 C15 109.04(11) . . ?
C18 C17 C2 117.27(12) . . ?
C17 C18 C19 121.30(12) . . ?
C20 C19 C18 121.55(13) . . ?
C19 C20 C3 117.11(12) . . ?
C22 C21 C6 117.29(12) . . ?
C21 C22 C23 121.32(13) . . ?
C24 C23 C22 121.24(12) . . ?
C23 C24 C7 117.61(12) . . ?
C26 C25 C10 116.86(13) . . ?
C25 C26 C27 121.64(13) . . ?
C28 C27 C26 121.66(13) . . ?
C27 C28 C11 116.99(13) . . ?
C30 C29 C14 117.43(13) . . ?
C29 C30 C31 121.29(13) . . ?
C32 C31 C30 121.26(13) . . ?
C31 C32 C15 117.51(13) . . ?
C34 V C35 77.16(6) . . ?
C34 V C33 75.80(6) . . ?
C35 V C33 117.15(6) . . ?
C34 V C40 141.00(6) . . ?
C35 V C40 133.55(6) . . ?
C33 V C40 100.99(6) . . ?
C34 V C39 141.20(6) . . ?
C35 V C39 98.13(6) . . ?
C33 V C39 135.94(6) . . ?
C40 V C39 36.75(5) . . ?
C34 V C36 104.73(6) . . ?
C35 V C36 148.87(6) . . ?
C33 V C36 92.93(6) . . ?
C40 V C36 36.27(5) . . ?
C39 V C36 60.50(5) . . ?
C34 V C38 105.02(6) . . ?
C35 V C38 89.19(6) . . ?
C33 V C38 152.58(6) . . ?
C40 V C38 60.67(5) . . ?
C39 V C38 36.20(5) . . ?
C36 V C38 60.04(5) . . ?
C34 V C37 86.61(6) . . ?
C35 V C37 115.18(6) . . ?
C33 V C37 118.48(6) . . ?
C40 V C37 60.31(5) . . ?
C39 V C37 60.20(5) . . ?
C36 V C37 35.82(6) . . ?
C38 V C37 35.92(5) . . ?
C34 V Sn 125.23(4) . . ?
C35 V Sn 75.46(4) . . ?
C33 V Sn 76.07(4) . . ?
C40 V Sn 90.10(4) . . ?
C39 V Sn 89.27(4) . . ?
C36 V Sn 122.72(4) . . ?
C38 V Sn 120.91(4) . . ?
C37 V Sn 148.12(4) . . ?
O1 C33 V 175.93(13) . . ?
O2 C34 V 178.95(13) . . ?
O3 C35 V 176.47(13) . . ?
C37 C36 C40 108.30(13) . . ?
C37 C36 V 72.56(8) . . ?
C40 C36 V 70.86(8) . . ?
C36 C37 C38 108.26(13) . . ?
C36 C37 V 71.62(8) . . ?
C38 C37 V 71.71(8) . . ?
C37 C38 C39 107.93(13) . . ?
C37 C38 V 72.37(8) . . ?
C39 C38 V 70.91(8) . . ?
C38 C39 C40 107.96(13) . . ?
C38 C39 V 72.89(8) . . ?
C40 C39 V 71.47(8) . . ?
C36 C40 C39 107.54(13) . . ?
C36 C40 V 72.87(8) . . ?
C39 C40 V 71.77(8) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S Cl1 121.20(8) . . ?
C6S C1S Cl1 118.76(8) . . ?
C1S C2S C3S 120.0 . . ?
C1S C2S Cl2 120.87(9) . . ?
C3S C2S Cl2 119.12(9) . . ?
C4S C3S C2S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C12S C11S C16S 120.0 . . ?
C12S C11S Cl3 121.30(14) . . ?
C16S C11S Cl3 118.68(14) . . ?
C13S C12S C11S 120.0 . . ?
C13S C12S Cl4 119.25(16) . . ?
C11S C12S Cl4 120.65(16) . . ?
C12S C13S C14S 120.0 . . ?
C15S C14S C13S 120.0 . . ?
C14S C15S C16S 120.0 . . ?
C15S C16S C11S 120.0 . . ?
C22S Cl6 Cl6 133(3) . 2_765 ?
C22S C21S C26S 120.0 . . ?
C22S C21S Cl5 121.2(2) . . ?
C26S C21S Cl5 118.7(2) . . ?
C23S C22S C21S 120.0 . . ?
C23S C22S Cl6 119.23(18) . . ?
C21S C22S Cl6 120.76(18) . . ?
C22S C23S C24S 120.0 . . ?
C25S C24S C23S 120.0 . . ?
C24S C25S C26S 120.0 . . ?
C25S C26S C21S 120.0 . . ?
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
Sn N1 2.1819(11) . ?
Sn N2 2.1827(11) . ?
Sn N4 2.1922(11) . ?
Sn N3 2.1973(11) . ?
Sn V 2.6509(3) . ?
N1 C4 1.3805(16) . ?
N1 C1 1.3854(16) . ?
N2 C5 1.3780(16) . ?
N2 C8 1.3833(16) . ?
N3 C9 1.3792(16) . ?
N3 C12 1.3802(16) . ?
N4 C16 1.3787(16) . ?
N4 C13 1.3822(16) . ?
N5 C1 1.3224(17) . ?
N5 C16 1.3308(17) . ?
N6 C5 1.3266(17) . ?
N6 C4 1.3271(16) . ?
N7 C8 1.3249(17) . ?
N7 C9 1.3297(17) . ?
N8 C13 1.3265(17) . ?
N8 C12 1.3272(17) . ?
C1 C2 1.4547(18) . ?
C2 C17 1.3950(18) . ?
C2 C3 1.3975(18) . ?
C3 C20 1.3924(18) . ?
C3 C4 1.4542(17) . ?
C5 C6 1.4537(17) . ?
C6 C21 1.3929(18) . ?
C6 C7 1.3982(18) . ?
C7 C24 1.3934(18) . ?
C7 C8 1.4502(18) . ?
C9 C10 1.4526(18) . ?
C10 C25 1.3969(18) . ?
C10 C11 1.3984(19) . ?
C11 C28 1.3915(18) . ?
C11 C12 1.4500(18) . ?
C13 C14 1.4517(18) . ?
C14 C29 1.3918(18) . ?
C14 C15 1.4012(19) . ?
C15 C32 1.3902(18) . ?
C15 C16 1.4493(18) . ?
C17 C18 1.3874(19) . ?
C18 C19 1.402(2) . ?
C19 C20 1.3874(19) . ?
C21 C22 1.3883(19) . ?
C22 C23 1.403(2) . ?
C23 C24 1.3863(19) . ?
C25 C26 1.388(2) . ?
C26 C27 1.398(2) . ?
C27 C28 1.383(2) . ?
C29 C30 1.389(2) . ?
C30 C31 1.402(2) . ?
C31 C32 1.3879(19) . ?
V C34 1.9185(15) . ?
V C35 1.9232(14) . ?
V C33 1.9253(14) . ?
V C40 2.2539(14) . ?
V C39 2.2579(13) . ?
V C36 2.2800(14) . ?
V C38 2.2835(14) . ?
V C37 2.2922(14) . ?
C33 O1 1.1589(17) . ?
C34 O2 1.1520(18) . ?
C35 O3 1.1547(17) . ?
C36 C37 1.406(2) . ?
C36 C40 1.412(2) . ?
C37 C38 1.411(2) . ?
C38 C39 1.411(2) . ?
C39 C40 1.422(2) . ?
Cl1 C1S 1.7210(12) . ?
Cl2 C2S 1.7249(11) . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
Cl3 C11S 1.7210(17) . ?
Cl4 C12S 1.7259(17) . ?
C11S C12S 1.3900 . ?
C11S C16S 1.3900 . ?
C12S C13S 1.3900 . ?
C13S C14S 1.3900 . ?
C14S C15S 1.3900 . ?
C15S C16S 1.3900 . ?
Cl5 C21S 1.7215(19) . ?
Cl6 C22S 1.7251(18) . ?
Cl6 Cl6 2.45(5) 2_765 ?
C21S C22S 1.3900 . ?
C21S C26S 1.3900 . ?
C22S C23S 1.3900 . ?
C23S C24S 1.3900 . ?
C24S C25S 1.3900 . ?
C25S C26S 1.3900 . ?
