#------------------------------------------------------------------------------
#$Date: 2020-07-06 04:53:16 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253798 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126518.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_7126518
loop_
_publ_author_name
'Chang, Wei-Chieh'
'Raj, Ankit'
'Hiramatsu, Hirotsugu'
'Li, Han-Jung'
'Ziegler, Micah S.'
'Lin, Yichen'
'Huang, Shengcih'
'Liu, Hsueh-Ju'
_publ_section_title
;
 Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn
 bonds.
;
_journal_issue                   50
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6786
_journal_page_last               6789
_journal_paper_doi               10.1039/d0cc02699a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C52 H36 N6 Sn'
_chemical_formula_sum            'C52 H36 N6 Sn'
_chemical_formula_weight         863.56
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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
_audit_update_record
;
2019-12-05 deposited with the CCDC.	2020-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.174(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.999(3)
_cell_length_b                   13.8693(9)
_cell_length_c                   18.718(2)
_cell_measurement_reflns_used    8687
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      22.982
_cell_measurement_theta_min      2.182
_cell_volume                     9546.1(14)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2005)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'D8 Venture'
_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  0.0889
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59437
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    0.574
_exptl_absorpt_correction_T_max  0.9886
_exptl_absorpt_correction_T_min  0.8029
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3520
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8446
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0698P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                5723
_reflns_number_total             8446
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc02699a2.cif
_cod_data_source_block           d20458
_cod_depositor_comments
'Adding full bibliography for 7126517--7126522.cif.'
_cod_original_cell_volume        9546.4(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7126518
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.28564(10) 0.3911(3) 0.5971(2) 0.0441(10) Uani 1 1 d . . .
H1 H 0.3006 0.3439 0.5878 0.053 Uiso 1 1 calc R . .
C2 C 0.25299(10) 0.3623(3) 0.5987(2) 0.0464(10) Uani 1 1 d . . .
H2 H 0.2454 0.2969 0.5901 0.056 Uiso 1 1 calc R . .
C3 C 0.23155(10) 0.4313(3) 0.6133(2) 0.0448(10) Uani 1 1 d . . .
H3 H 0.2090 0.4136 0.6155 0.054 Uiso 1 1 calc R . .
C4 C 0.24298(10) 0.5255(2) 0.6245(2) 0.0407(9) Uani 1 1 d . . .
H4 H 0.2283 0.5734 0.6342 0.049 Uiso 1 1 calc R . .
C5 C 0.27612(9) 0.5510(2) 0.6217(2) 0.0351(8) Uani 1 1 d . . .
C6 C 0.29121(9) 0.6479(2) 0.6359(2) 0.0342(8) Uani 1 1 d . . .
C7 C 0.27673(9) 0.7391(2) 0.6404(2) 0.0361(8) Uani 1 1 d . . .
C8 C 0.23840(9) 0.7624(2) 0.6267(2) 0.0359(8) Uani 1 1 d . . .
C9 C 0.21039(10) 0.7478(2) 0.5547(2) 0.0407(9) Uani 1 1 d . . .
H9 H 0.2158 0.7245 0.5127 0.049 Uiso 1 1 calc R . .
C10 C 0.17486(11) 0.7666(3) 0.5434(3) 0.0510(11) Uani 1 1 d . . .
H10 H 0.1559 0.7554 0.4939 0.061 Uiso 1 1 calc R . .
C11 C 0.16664(11) 0.8013(3) 0.6031(3) 0.0551(11) Uani 1 1 d . . .
H11 H 0.1421 0.8134 0.5951 0.066 Uiso 1 1 calc R . .
C12 C 0.19406(12) 0.8188(3) 0.6746(3) 0.0553(11) Uani 1 1 d . . .
H12 H 0.1885 0.8444 0.7157 0.066 Uiso 1 1 calc R . .
C13 C 0.22964(11) 0.7990(3) 0.6864(2) 0.0451(10) Uani 1 1 d . . .
H13 H 0.2484 0.8104 0.7360 0.054 Uiso 1 1 calc R . .
C14 C 0.30540(9) 0.8048(2) 0.6592(2) 0.0357(8) Uani 1 1 d . . .
C15 C 0.30291(9) 0.9102(2) 0.6713(2) 0.0378(9) Uani 1 1 d . . .
C16 C 0.28546(11) 0.9708(3) 0.6093(3) 0.0508(11) Uani 1 1 d . . .
H16 H 0.2751 0.9449 0.5582 0.061 Uiso 1 1 calc R . .
C17 C 0.28283(12) 1.0688(3) 0.6204(3) 0.0588(12) Uani 1 1 d . . .
H17 H 0.2709 1.1094 0.5768 0.071 Uiso 1 1 calc R . .
C18 C 0.29707(11) 1.1075(3) 0.6928(3) 0.0570(12) Uani 1 1 d . . .
H18 H 0.2953 1.1748 0.7001 0.068 Uiso 1 1 calc R . .
C19 C 0.31409(12) 1.0483(3) 0.7556(3) 0.0548(11) Uani 1 1 d . . .
H19 H 0.3236 1.0747 0.8066 0.066 Uiso 1 1 calc R . .
C20 C 0.31750(11) 0.9507(3) 0.7453(3) 0.0470(10) Uani 1 1 d . . .
H20 H 0.3299 0.9109 0.7891 0.056 Uiso 1 1 calc R . .
C21 C 0.33644(9) 0.7509(2) 0.6648(2) 0.0378(9) Uani 1 1 d . . .
C22 C 0.37350(10) 0.7801(3) 0.6773(2) 0.0412(9) Uani 1 1 d . . .
C23 C 0.38473(10) 0.8765(3) 0.6815(2) 0.0481(10) Uani 1 1 d . . .
H23 H 0.3684 0.9274 0.6793 0.058 Uiso 1 1 calc R . .
C24 C 0.41971(11) 0.8965(3) 0.6889(3) 0.0615(12) Uani 1 1 d . . .
H24 H 0.4277 0.9615 0.6918 0.074 Uiso 1 1 calc R . .
C25 C 0.44292(13) 0.8226(4) 0.6921(3) 0.0757(15) Uani 1 1 d . . .
H25 H 0.4671 0.8348 0.6969 0.091 Uiso 1 1 calc R . .
C26 C 0.43002(12) 0.7305(3) 0.6881(3) 0.0731(15) Uani 1 1 d . . .
H26 H 0.4461 0.6791 0.6902 0.088 Uiso 1 1 calc R . .
C27 C 0.38208(11) 0.5484(3) 0.7976(2) 0.0512(11) Uani 1 1 d . . .
H27 H 0.3722 0.6114 0.7848 0.061 Uiso 1 1 calc R . .
C28 C 0.39874(12) 0.5244(3) 0.8746(3) 0.0575(12) Uani 1 1 d . . .
H28 H 0.3999 0.5689 0.9141 0.069 Uiso 1 1 calc R . .
C29 C 0.41365(11) 0.4338(3) 0.8928(3) 0.0570(11) Uani 1 1 d . . .
H29 H 0.4259 0.4153 0.9456 0.068 Uiso 1 1 calc R . .
C30 C 0.41073(11) 0.3701(3) 0.8343(2) 0.0492(10) Uani 1 1 d . . .
H30 H 0.4211 0.3075 0.8466 0.059 Uiso 1 1 calc R . .
C31 C 0.39261(9) 0.3978(3) 0.7573(2) 0.0406(9) Uani 1 1 d . . .
C32 C 0.38687(9) 0.3360(3) 0.6913(2) 0.0395(9) Uani 1 1 d . . .
C33 C 0.39847(9) 0.2428(2) 0.6823(2) 0.0379(9) Uani 1 1 d . . .
C34 C 0.42085(10) 0.1752(3) 0.7440(2) 0.0424(9) Uani 1 1 d . . .
C35 C 0.45703(12) 0.1656(4) 0.7641(3) 0.0869(18) Uani 1 1 d . . .
H35 H 0.4690 0.2037 0.7392 0.104 Uiso 1 1 calc R . .
C36 C 0.47683(14) 0.0995(5) 0.8215(4) 0.116(3) Uani 1 1 d . . .
H36 H 0.5022 0.0931 0.8348 0.139 Uiso 1 1 calc R . .
C37 C 0.46099(19) 0.0454(4) 0.8578(3) 0.091(2) Uani 1 1 d . . .
H37 H 0.4751 0.0040 0.8992 0.109 Uiso 1 1 calc R . .
C38 C 0.42521(18) 0.0501(3) 0.8355(3) 0.0817(16) Uani 1 1 d . . .
H38 H 0.4134 0.0081 0.8582 0.098 Uiso 1 1 calc R . .
C39 C 0.40509(13) 0.1150(3) 0.7798(3) 0.0650(13) Uani 1 1 d . . .
H39 H 0.3796 0.1182 0.7657 0.078 Uiso 1 1 calc R . .
C40 C 0.38360(9) 0.2235(2) 0.6019(2) 0.0369(9) Uani 1 1 d . . .
C41 C 0.38663(10) 0.1319(2) 0.5646(2) 0.0386(9) Uani 1 1 d . . .
C42 C 0.41829(11) 0.1080(3) 0.5552(3) 0.0565(11) Uani 1 1 d . . .
H42 H 0.4384 0.1511 0.5730 0.068 Uiso 1 1 calc R . .
C43 C 0.42097(13) 0.0221(3) 0.5202(3) 0.0693(14) Uani 1 1 d . . .
H43 H 0.4430 0.0058 0.5153 0.083 Uiso 1 1 calc R . .
C44 C 0.39181(15) -0.0395(3) 0.4927(3) 0.0696(14) Uani 1 1 d . . .
H44 H 0.3936 -0.0978 0.4677 0.084 Uiso 1 1 calc R . .
C45 C 0.36026(13) -0.0177(3) 0.5009(3) 0.0637(13) Uani 1 1 d . . .
H45 H 0.3401 -0.0604 0.4819 0.076 Uiso 1 1 calc R . .
C46 C 0.35791(11) 0.0676(3) 0.5374(3) 0.0500(11) Uani 1 1 d . . .
H46 H 0.3361 0.0821 0.5439 0.060 Uiso 1 1 calc R . .
C47 C 0.36340(9) 0.3059(2) 0.5653(2) 0.0397(9) Uani 1 1 d . . .
C48 C 0.34257(9) 0.3303(2) 0.4841(2) 0.0368(9) Uani 1 1 d . . .
C49 C 0.34183(10) 0.2758(3) 0.4210(2) 0.0438(9) Uani 1 1 d . . .
H49 H 0.3555 0.2179 0.4292 0.053 Uiso 1 1 calc R . .
C50 C 0.32105(11) 0.3065(3) 0.3467(2) 0.0502(10) Uani 1 1 d . . .
H50 H 0.3201 0.2696 0.3032 0.060 Uiso 1 1 calc R . .
C51 C 0.30167(11) 0.3911(3) 0.3360(3) 0.0538(11) Uani 1 1 d . . .
H51 H 0.2868 0.4130 0.2853 0.065 Uiso 1 1 calc R . .
C52 C 0.30442(11) 0.4431(3) 0.4006(3) 0.0501(10) Uani 1 1 d . . .
H52 H 0.2920 0.5031 0.3932 0.060 Uiso 1 1 calc R . .
N1 N 0.29733(8) 0.48345(19) 0.60825(18) 0.0383(7) Uani 1 1 d . . .
N2 N 0.32730(7) 0.65612(19) 0.65120(18) 0.0377(7) Uani 1 1 d . . .
N3 N 0.39654(9) 0.7077(2) 0.6815(2) 0.0616(10) Uani 1 1 d . . .
N4 N 0.37896(8) 0.4885(2) 0.73945(19) 0.0421(8) Uani 1 1 d . . .
N5 N 0.36543(8) 0.3732(2) 0.62037(18) 0.0411(7) Uani 1 1 d . . .
N6 N 0.32358(8) 0.4138(2) 0.47325(19) 0.0452(8) Uani 1 1 d . . .
Sn1 Sn 0.354052(7) 0.534260(17) 0.605629(16) 0.04206(11) 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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 123.0(3) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 118.1(3) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 120.5(3) . . ?
N1 C5 C6 115.4(3) . . ?
C4 C5 C6 124.1(3) . . ?
N2 C6 C7 109.9(3) . . ?
N2 C6 C5 116.4(3) . . ?
C7 C6 C5 133.7(3) . . ?
C14 C7 C6 106.6(3) . . ?
C14 C7 C8 126.1(3) . . ?
C6 C7 C8 127.3(3) . . ?
C9 C8 C13 118.1(3) . . ?
C9 C8 C7 121.3(3) . . ?
C13 C8 C7 120.6(3) . . ?
C10 C9 C8 120.8(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.4(4) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 120.0(4) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C8 120.9(4) . . ?
C12 C13 H13 119.5 . . ?
C8 C13 H13 119.5 . . ?
C7 C14 C21 106.4(3) . . ?
C7 C14 C15 125.6(3) . . ?
C21 C14 C15 128.0(3) . . ?
C16 C15 C20 117.8(3) . . ?
C16 C15 C14 120.8(3) . . ?
C20 C15 C14 121.4(3) . . ?
C17 C16 C15 121.0(4) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 120.7(4) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 119.4(4) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C20 120.6(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C15 120.6(4) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
N2 C21 C14 109.4(3) . . ?
N2 C21 C22 118.5(3) . . ?
C14 C21 C22 132.0(3) . . ?
N3 C22 C23 120.8(3) . . ?
N3 C22 C21 115.5(3) . . ?
C23 C22 C21 123.6(3) . . ?
C24 C23 C22 119.1(4) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C24 117.5(4) . . ?
C26 C25 H25 121.2 . . ?
C24 C25 H25 121.2 . . ?
N3 C26 C25 124.7(4) . . ?
N3 C26 H26 117.6 . . ?
C25 C26 H26 117.6 . . ?
N4 C27 C28 123.8(4) . . ?
N4 C27 H27 118.1 . . ?
C28 C27 H27 118.1 . . ?
C27 C28 C29 117.9(4) . . ?
C27 C28 H28 121.1 . . ?
C29 C28 H28 121.1 . . ?
C28 C29 C30 119.8(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
N4 C31 C30 120.4(4) . . ?
N4 C31 C32 115.2(3) . . ?
C30 C31 C32 124.4(3) . . ?
N5 C32 C33 110.0(3) . . ?
N5 C32 C31 115.7(3) . . ?
C33 C32 C31 134.3(3) . . ?
C32 C33 C40 106.4(3) . . ?
C32 C33 C34 127.9(4) . . ?
C40 C33 C34 125.7(3) . . ?
C35 C34 C39 116.9(4) . . ?
C35 C34 C33 122.1(4) . . ?
C39 C34 C33 120.9(3) . . ?
C34 C35 C36 120.0(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 121.6(5) . . ?
C37 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C36 C37 C38 118.9(5) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C37 C38 C39 120.6(5) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C34 C39 C38 121.8(5) . . ?
C34 C39 H39 119.1 . . ?
C38 C39 H39 119.1 . . ?
C47 C40 C33 106.5(3) . . ?
C47 C40 C41 127.2(3) . . ?
C33 C40 C41 126.2(3) . . ?
C46 C41 C42 117.8(3) . . ?
C46 C41 C40 121.2(3) . . ?
C42 C41 C40 121.0(3) . . ?
C41 C42 C43 120.7(4) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C44 C43 C42 120.1(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 119.3(4) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C41 C46 C45 121.6(4) . . ?
C41 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
N5 C47 C40 109.5(3) . . ?
N5 C47 C48 117.8(3) . . ?
C40 C47 C48 132.7(3) . . ?
N6 C48 C49 120.8(3) . . ?
N6 C48 C47 114.3(3) . . ?
C49 C48 C47 124.8(3) . . ?
C50 C49 C48 119.5(4) . . ?
C50 C49 H49 120.3 . . ?
C48 C49 H49 120.3 . . ?
C51 C50 C49 119.4(4) . . ?
C51 C50 H50 120.3 . . ?
C49 C50 H50 120.3 . . ?
C50 C51 C52 118.3(4) . . ?
C50 C51 H51 120.9 . . ?
C52 C51 H51 120.9 . . ?
N6 C52 C51 123.5(4) . . ?
N6 C52 H52 118.3 . . ?
C51 C52 H52 118.3 . . ?
C5 N1 C1 118.7(3) . . ?
C5 N1 Sn1 117.9(2) . . ?
C1 N1 Sn1 123.3(2) . . ?
C6 N2 C21 107.7(3) . . ?
C6 N2 Sn1 117.6(2) . . ?
C21 N2 Sn1 129.8(2) . . ?
C26 N3 C22 117.9(3) . . ?
C27 N4 C31 118.4(4) . . ?
C27 N4 Sn1 123.8(3) . . ?
C31 N4 Sn1 117.7(2) . . ?
C32 N5 C47 107.6(3) . . ?
C32 N5 Sn1 120.5(2) . . ?
C47 N5 Sn1 128.9(2) . . ?
C52 N6 C48 118.4(3) . . ?
N5 Sn1 N2 139.94(11) . . ?
N5 Sn1 N4 68.34(11) . . ?
N2 Sn1 N4 82.60(10) . . ?
N5 Sn1 N1 81.63(10) . . ?
N2 Sn1 N1 68.36(9) . . ?
N4 Sn1 N1 84.72(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.351(4) . ?
C1 C2 1.377(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.381(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.373(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(5) . ?
C4 H4 0.9500 . ?
C5 N1 1.353(4) . ?
C5 C6 1.454(5) . ?
C6 N2 1.361(4) . ?
C6 C7 1.407(5) . ?
C7 C14 1.398(5) . ?
C7 C8 1.487(5) . ?
C8 C9 1.387(5) . ?
C8 C13 1.392(5) . ?
C9 C10 1.377(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(5) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C21 1.417(5) . ?
C14 C15 1.487(5) . ?
C15 C16 1.381(5) . ?
C15 C20 1.392(5) . ?
C16 C17 1.385(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.358(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.381(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 N2 1.362(4) . ?
C21 C22 1.464(5) . ?
C22 N3 1.344(5) . ?
C22 C23 1.403(5) . ?
C23 C24 1.379(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.368(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.369(6) . ?
C25 H25 0.9500 . ?
C26 N3 1.334(5) . ?
C26 H26 0.9500 . ?
C27 N4 1.336(5) . ?
C27 C28 1.369(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.375(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.389(5) . ?
C30 H30 0.9500 . ?
C31 N4 1.359(5) . ?
C31 C32 1.446(5) . ?
C32 N5 1.367(4) . ?
C32 C33 1.405(5) . ?
C33 C40 1.410(5) . ?
C33 C34 1.484(5) . ?
C34 C35 1.351(6) . ?
C34 C39 1.369(6) . ?
C35 C36 1.396(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.330(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.325(8) . ?
C37 H37 0.9500 . ?
C38 C39 1.373(6) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C47 1.412(5) . ?
C40 C41 1.477(5) . ?
C41 C46 1.384(5) . ?
C41 C42 1.385(5) . ?
C42 C43 1.383(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.372(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.364(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.386(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 N5 1.369(5) . ?
C47 C48 1.456(5) . ?
C48 N6 1.356(4) . ?
C48 C49 1.393(5) . ?
C49 C50 1.378(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.377(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.375(6) . ?
C51 H51 0.9500 . ?
C52 N6 1.334(5) . ?
C52 H52 0.9500 . ?
N1 Sn1 2.394(3) . ?
N2 Sn1 2.334(3) . ?
N4 Sn1 2.389(3) . ?
N5 Sn1 2.275(3) . ?
