#------------------------------------------------------------------------------
#$Date: 2025-07-06 20:11:59 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/81/7718123.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_7718123
loop_
_publ_author_name
'Quek, Timothy'
'Chumsaeng, Phongnarin'
'Phomphrai, Khamphee'
_publ_section_title
;
 Heteroleptic phenoxyimino tin(ii) bis(trimethylsilyl)amides for the
 synthesis of poly(diester-alt-ethers) from cyclohexene oxide and succinic
 anhydride
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              5143
_journal_page_last               5152
_journal_paper_doi               10.1039/D4DT03514C
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C29 H48 N2 O Si2 Sn'
_chemical_formula_sum            'C29 H48 N2 O Si2 Sn'
_chemical_formula_weight         615.56
_chemical_name_systematic        C29H48ON2Si2Sn
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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     dual
_audit_creation_date             2021-05-22
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                100.519(3)
_cell_angle_beta                 103.382(4)
_cell_angle_gamma                105.443(3)
_cell_formula_units_Z            2
_cell_length_a                   10.5871(13)
_cell_length_b                   12.1261(14)
_cell_length_c                   13.7342(17)
_cell_measurement_reflns_used    9369
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.97
_cell_volume                     1596.4(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            65884
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_min         2.065
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6821
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0864 before and 0.0492 after correction.
The Ratio of minimum to maximum transmission is 0.9142.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       needle
_exptl_crystal_F_000             644
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         9325
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0172
_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)+(0.0180P)²+0.6625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0450
_refine_ls_wR_factor_ref         0.0455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8958
_reflns_number_total             9325
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03514c2.cif
_cod_data_source_block           p-1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7718121--7718126.cif.'
_cod_database_code               7718123
_shelx_shelxl_version_number     2018/3
_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_max   0.807
_shelx_estimated_absorpt_t_min   0.744
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C7(H7), C20(H20), C19(H19), C18(H18)
2.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C11(H11A,H11B,
 H11C), C12(H12A,H12B,H12C), C10(H10A,H10B,H10C), C23(H23A,H23B,H23C), C22(H22A,
 H22B,H22C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C),
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Sn1 Sn 0.20853(2) 0.61997(2) 0.40790(2) 0.01161(2) Uani 1 1 d . . . . .
Si1 Si 0.03742(3) 0.81276(3) 0.37853(2) 0.01610(6) Uani 1 1 d . . . . .
Si2 Si 0.04274(3) 0.64441(3) 0.18700(2) 0.01365(6) Uani 1 1 d . . . . .
O1 O 0.27002(8) 0.74982(7) 0.54780(6) 0.01380(14) Uani 1 1 d . . . . .
N1 N 0.43061(9) 0.72164(8) 0.41079(7) 0.01130(15) Uani 1 1 d . . . . .
N2 N 0.09992(9) 0.70855(8) 0.31941(7) 0.01417(16) Uani 1 1 d . . . . .
C1 C 0.38433(10) 0.76730(9) 0.62252(8) 0.01060(17) Uani 1 1 d . . . . .
C6 C 0.38358(10) 0.78242(9) 0.72805(8) 0.01136(17) Uani 1 1 d . . . . .
C9 C 0.25209(11) 0.77897(10) 0.75797(8) 0.01508(19) Uani 1 1 d . . . . .
C13 C 0.27397(13) 0.79318(13) 0.87475(9) 0.0238(2) Uani 1 1 d . . . . .
H13A H 0.187457 0.789834 0.890321 0.036 Uiso 1 1 calc R U . . .
H13B H 0.343516 0.869694 0.913460 0.036 Uiso 1 1 calc R U . . .
H13C H 0.304908 0.729091 0.894943 0.036 Uiso 1 1 calc R U . . .
C14 C 0.13916(12) 0.65971(11) 0.70158(10) 0.0218(2) Uani 1 1 d . . . . .
H14A H 0.169190 0.595417 0.722238 0.033 Uiso 1 1 calc R U . . .
H14B H 0.121165 0.647936 0.626519 0.033 Uiso 1 1 calc R U . . .
H14C H 0.055124 0.659742 0.720042 0.033 Uiso 1 1 calc R U . . .
C15 C 0.20509(12) 0.88206(11) 0.73024(9) 0.0197(2) Uani 1 1 d . . . . .
H15A H 0.120411 0.879858 0.748452 0.029 Uiso 1 1 calc R U . . .
H15B H 0.188269 0.874423 0.655709 0.029 Uiso 1 1 calc R U . . .
H15C H 0.276683 0.957493 0.768930 0.029 Uiso 1 1 calc R U . . .
C5 C 0.50613(11) 0.80119(9) 0.80282(8) 0.01229(18) Uani 1 1 d . . . . .
H5 H 0.504697 0.809471 0.872648 0.015 Uiso 1 1 calc R U . . .
C4 C 0.63230(10) 0.80883(9) 0.78274(8) 0.01159(17) Uani 1 1 d . . . . .
C8 C 0.75829(11) 0.82429(10) 0.87154(8) 0.01440(19) Uani 1 1 d . . . . .
C11 C 0.78495(14) 0.93395(12) 0.95922(10) 0.0255(3) Uani 1 1 d . . . . .
H11A H 0.800334 1.004553 0.932615 0.038 Uiso 1 1 calc R U . . .
H11B H 0.866224 0.942839 1.015404 0.038 Uiso 1 1 calc R U . . .
H11C H 0.705319 0.924478 0.985604 0.038 Uiso 1 1 calc R U . . .
C12 C 0.73203(12) 0.71428(11) 0.91386(10) 0.0219(2) Uani 1 1 d . . . . .
H12A H 0.650160 0.704438 0.937501 0.033 Uiso 1 1 calc R U . . .
H12B H 0.811326 0.724056 0.972117 0.033 Uiso 1 1 calc R U . . .
H12C H 0.717852 0.644081 0.858984 0.033 Uiso 1 1 calc R U . . .
C10 C 0.88674(12) 0.83736(12) 0.83583(9) 0.0232(2) Uani 1 1 d . . . . .
H10A H 0.872855 0.765842 0.782510 0.035 Uiso 1 1 calc R U . . .
H10B H 0.965436 0.848344 0.895004 0.035 Uiso 1 1 calc R U . . .
H10C H 0.904255 0.906276 0.807086 0.035 Uiso 1 1 calc R U . . .
C3 C 0.63235(10) 0.79845(9) 0.68110(8) 0.01194(17) Uani 1 1 d . . . . .
H3 H 0.716197 0.806732 0.664674 0.014 Uiso 1 1 calc R U . . .
C2 C 0.51049(10) 0.77575(9) 0.60075(7) 0.01072(17) Uani 1 1 d . . . . .
C7 C 0.52659(10) 0.76482(9) 0.49786(8) 0.01178(17) Uani 1 1 d . . . . .
H7 H 0.617708 0.792457 0.494137 0.014 Uiso 1 1 calc R U . . .
C16 C 0.46937(10) 0.71085(9) 0.31674(8) 0.01331(18) Uani 1 1 d . . . . .
C21 C 0.50322(11) 0.61023(10) 0.28008(9) 0.0180(2) Uani 1 1 d . . . . .
C23 C 0.51381(14) 0.52106(11) 0.34228(11) 0.0246(2) Uani 1 1 d . . . . .
H23A H 0.586466 0.559550 0.408149 0.037 Uiso 1 1 calc R U . . .
H23B H 0.535630 0.456208 0.303159 0.037 Uiso 1 1 calc R U . . .
H23C H 0.426229 0.489403 0.356004 0.037 Uiso 1 1 calc R U . . .
C20 C 0.52671(13) 0.59544(13) 0.18335(10) 0.0270(3) Uani 1 1 d . . . . .
H20 H 0.549222 0.527816 0.156101 0.032 Uiso 1 1 calc R U . . .
C19 C 0.51774(14) 0.67751(15) 0.12671(10) 0.0323(3) Uani 1 1 d . . . . .
H19 H 0.531581 0.664812 0.060186 0.039 Uiso 1 1 calc R U . . .
C18 C 0.48865(13) 0.77842(13) 0.16626(10) 0.0269(3) Uani 1 1 d . . . . .
H18 H 0.485449 0.835377 0.127353 0.032 Uiso 1 1 calc R U . . .
C17 C 0.46403(11) 0.79742(10) 0.26242(8) 0.0174(2) Uani 1 1 d . . . . .
C22 C 0.43405(13) 0.90683(11) 0.30746(10) 0.0223(2) Uani 1 1 d . . . . .
H22A H 0.426060 0.953607 0.256567 0.033 Uiso 1 1 calc R U . . .
H22B H 0.508773 0.954293 0.370193 0.033 Uiso 1 1 calc R U . . .
H22C H 0.347775 0.883922 0.324976 0.033 Uiso 1 1 calc R U . . .
C24 C -0.06273(13) 0.74910(12) 0.46274(11) 0.0249(2) Uani 1 1 d . . . . .
H24A H -0.143532 0.682311 0.419545 0.037 Uiso 1 1 calc R U . . .
H24B H -0.092074 0.810161 0.499670 0.037 Uiso 1 1 calc R U . . .
H24C H -0.004918 0.721555 0.513016 0.037 Uiso 1 1 calc R U . . .
C25 C 0.17913(14) 0.95244(10) 0.45494(10) 0.0231(2) Uani 1 1 d . . . . .
H25A H 0.252740 0.933212 0.499199 0.035 Uiso 1 1 calc R U . . .
H25B H 0.143939 1.003061 0.498242 0.035 Uiso 1 1 calc R U . . .
H25C H 0.215042 0.994308 0.407463 0.035 Uiso 1 1 calc R U . . .
C26 C -0.08518(16) 0.85874(13) 0.28471(11) 0.0321(3) Uani 1 1 d . . . . .
H26A H -0.043214 0.883322 0.232299 0.048 Uiso 1 1 calc R U . . .
H26B H -0.106440 0.925050 0.322133 0.048 Uiso 1 1 calc R U . . .
H26C H -0.169856 0.791819 0.250769 0.048 Uiso 1 1 calc R U . . .
C27 C -0.14884(12) 0.57479(11) 0.13556(9) 0.0200(2) Uani 1 1 d . . . . .
H27A H -0.182844 0.536767 0.185769 0.030 Uiso 1 1 calc R U . . .
H27B H -0.172602 0.515270 0.069773 0.030 Uiso 1 1 calc R U . . .
H27C H -0.190952 0.636022 0.124303 0.030 Uiso 1 1 calc R U . . .
C28 C 0.09810(13) 0.75234(11) 0.11126(9) 0.0223(2) Uani 1 1 d . . . . .
H28A H 0.063885 0.819080 0.126778 0.033 Uiso 1 1 calc R U . . .
H28B H 0.060879 0.712856 0.036983 0.033 Uiso 1 1 calc R U . . .
H28C H 0.198489 0.781555 0.130413 0.033 Uiso 1 1 calc R U . . .
C29 C 0.11743(12) 0.52340(11) 0.15486(9) 0.0204(2) Uani 1 1 d . . . . .
H29A H 0.217775 0.556014 0.179258 0.031 Uiso 1 1 calc R U . . .
H29B H 0.087204 0.489590 0.079629 0.031 Uiso 1 1 calc R U . . .
H29C H 0.086343 0.461363 0.188885 0.031 Uiso 1 1 calc R U . . .
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'
Si Si 0.0817 0.0704 '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 Sn1 N1 79.92(3) . . ?
O1 Sn1 N2 95.60(3) . . ?
N2 Sn1 N1 99.19(3) . . ?
N2 Si1 C24 109.94(5) . . ?
N2 Si1 C25 111.32(5) . . ?
N2 Si1 C26 113.75(6) . . ?
C24 Si1 C26 105.17(7) . . ?
C25 Si1 C24 110.94(6) . . ?
C25 Si1 C26 105.51(7) . . ?
N2 Si2 C27 113.14(5) . . ?
N2 Si2 C28 112.44(5) . . ?
N2 Si2 C29 110.05(5) . . ?
C28 Si2 C27 108.28(5) . . ?
C28 Si2 C29 105.99(6) . . ?
C29 Si2 C27 106.54(6) . . ?
C1 O1 Sn1 122.32(6) . . ?
C7 N1 Sn1 119.64(7) . . ?
C7 N1 C16 118.20(9) . . ?
C16 N1 Sn1 120.26(6) . . ?
Si1 N2 Sn1 120.54(5) . . ?
Si2 N2 Sn1 114.87(5) . . ?
Si2 N2 Si1 122.64(5) . . ?
O1 C1 C6 120.41(9) . . ?
O1 C1 C2 121.38(9) . . ?
C2 C1 C6 118.16(9) . . ?
C1 C6 C9 121.11(9) . . ?
C5 C6 C1 117.88(9) . . ?
C5 C6 C9 121.00(9) . . ?
C6 C9 C13 112.20(9) . . ?
C6 C9 C14 110.48(9) . . ?
C6 C9 C15 109.03(9) . . ?
C13 C9 C14 107.02(9) . . ?
C13 C9 C15 107.55(9) . . ?
C14 C9 C15 110.52(9) . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C5 H5 117.6 . . ?
C6 C5 C4 124.83(9) . . ?
C4 C5 H5 117.6 . . ?
C5 C4 C8 119.54(9) . . ?
C3 C4 C5 116.55(9) . . ?
C3 C4 C8 123.89(9) . . ?
C4 C8 C11 110.45(9) . . ?
C4 C8 C12 108.71(9) . . ?
C4 C8 C10 111.89(9) . . ?
C12 C8 C11 108.88(10) . . ?
C10 C8 C11 108.69(10) . . ?
C10 C8 C12 108.14(10) . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C4 C3 H3 119.2 . . ?
C4 C3 C2 121.52(9) . . ?
C2 C3 H3 119.2 . . ?
C1 C2 C7 123.97(9) . . ?
C3 C2 C1 120.98(9) . . ?
C3 C2 C7 115.04(9) . . ?
N1 C7 C2 127.03(9) . . ?
N1 C7 H7 116.5 . . ?
C2 C7 H7 116.5 . . ?
C21 C16 N1 118.40(9) . . ?
C17 C16 N1 118.83(10) . . ?
C17 C16 C21 122.66(10) . . ?
C16 C21 C23 121.49(10) . . ?
C20 C21 C16 117.45(11) . . ?
C20 C21 C23 121.06(11) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C20 H20 119.5 . . ?
C19 C20 C21 121.01(12) . . ?
C19 C20 H20 119.5 . . ?
C20 C19 H19 119.8 . . ?
C20 C19 C18 120.42(11) . . ?
C18 C19 H19 119.8 . . ?
C19 C18 H18 119.6 . . ?
C19 C18 C17 120.87(12) . . ?
C17 C18 H18 119.6 . . ?
C16 C17 C22 120.67(10) . . ?
C18 C17 C16 117.51(11) . . ?
C18 C17 C22 121.81(11) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
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
Sn1 O1 2.0893(8) . ?
Sn1 N1 2.3334(9) . ?
Sn1 N2 2.1072(9) . ?
Si1 N2 1.7358(10) . ?
Si1 C24 1.8749(13) . ?
Si1 C25 1.8681(13) . ?
Si1 C26 1.8787(13) . ?
Si2 N2 1.7326(10) . ?
Si2 C27 1.8795(12) . ?
Si2 C28 1.8733(12) . ?
Si2 C29 1.8751(12) . ?
O1 C1 1.3311(12) . ?
N1 C7 1.2892(13) . ?
N1 C16 1.4375(13) . ?
C1 C6 1.4295(14) . ?
C1 C2 1.4167(14) . ?
C6 C9 1.5325(14) . ?
C6 C5 1.3894(14) . ?
C9 C13 1.5368(16) . ?
C9 C14 1.5369(17) . ?
C9 C15 1.5404(15) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C4 1.4081(14) . ?
C4 C8 1.5271(14) . ?
C4 C3 1.3787(14) . ?
C8 C11 1.5350(16) . ?
C8 C12 1.5347(16) . ?
C8 C10 1.5288(16) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C2 1.4139(14) . ?
C2 C7 1.4487(14) . ?
C7 H7 0.9500 . ?
C16 C21 1.4010(15) . ?
C16 C17 1.3998(15) . ?
C21 C23 1.5064(18) . ?
C21 C20 1.3960(16) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C20 H20 0.9500 . ?
C20 C19 1.380(2) . ?
C19 H19 0.9500 . ?
C19 C18 1.387(2) . ?
C18 H18 0.9500 . ?
C18 C17 1.3948(16) . ?
C17 C22 1.5030(17) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
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
Sn1 O1 C1 C6 -134.88(8) . . . . ?
Sn1 O1 C1 C2 47.43(12) . . . . ?
Sn1 N1 C7 C2 -11.14(14) . . . . ?
Sn1 N1 C16 C21 -80.13(11) . . . . ?
Sn1 N1 C16 C17 96.18(10) . . . . ?
O1 C1 C6 C9 0.00(15) . . . . ?
O1 C1 C6 C5 -179.57(9) . . . . ?
O1 C1 C2 C3 177.77(9) . . . . ?
O1 C1 C2 C7 -0.90(15) . . . . ?
N1 C16 C21 C23 -6.39(16) . . . . ?
N1 C16 C21 C20 173.53(10) . . . . ?
N1 C16 C17 C18 -173.62(10) . . . . ?
N1 C16 C17 C22 6.92(15) . . . . ?
C1 C6 C9 C13 178.17(10) . . . . ?
C1 C6 C9 C14 58.84(12) . . . . ?
C1 C6 C9 C15 -62.81(13) . . . . ?
C1 C6 C5 C4 1.34(15) . . . . ?
C1 C2 C7 N1 -16.26(17) . . . . ?
C6 C1 C2 C3 0.03(14) . . . . ?
C6 C1 C2 C7 -178.64(9) . . . . ?
C6 C5 C4 C8 -177.31(10) . . . . ?
C6 C5 C4 C3 1.01(15) . . . . ?
C9 C6 C5 C4 -178.23(10) . . . . ?
C5 C6 C9 C13 -2.28(14) . . . . ?
C5 C6 C9 C14 -121.61(11) . . . . ?
C5 C6 C9 C15 116.75(11) . . . . ?
C5 C4 C8 C11 -55.74(13) . . . . ?
C5 C4 C8 C12 63.66(13) . . . . ?
C5 C4 C8 C10 -176.98(10) . . . . ?
C5 C4 C3 C2 -2.87(15) . . . . ?
C4 C3 C2 C1 2.42(15) . . . . ?
C4 C3 C2 C7 -178.79(9) . . . . ?
C8 C4 C3 C2 175.37(9) . . . . ?
C3 C4 C8 C11 126.07(11) . . . . ?
C3 C4 C8 C12 -114.53(11) . . . . ?
C3 C4 C8 C10 4.83(15) . . . . ?
C3 C2 C7 N1 165.00(10) . . . . ?
C2 C1 C6 C9 177.76(9) . . . . ?
C2 C1 C6 C5 -1.81(14) . . . . ?
C7 N1 C16 C21 84.13(12) . . . . ?
C7 N1 C16 C17 -99.56(12) . . . . ?
C16 N1 C7 C2 -175.50(10) . . . . ?
C16 C21 C20 C19 0.45(18) . . . . ?
C21 C16 C17 C18 2.52(16) . . . . ?
C21 C16 C17 C22 -176.94(10) . . . . ?
C21 C20 C19 C18 1.7(2) . . . . ?
C23 C21 C20 C19 -179.63(12) . . . . ?
C20 C19 C18 C17 -1.9(2) . . . . ?
C19 C18 C17 C16 -0.23(18) . . . . ?
C19 C18 C17 C22 179.22(12) . . . . ?
C17 C16 C21 C23 177.46(11) . . . . ?
C17 C16 C21 C20 -2.63(16) . . . . ?
C24 Si1 N2 Sn1 -50.81(7) . . . . ?
C24 Si1 N2 Si2 112.49(7) . . . . ?
C25 Si1 N2 Sn1 72.54(7) . . . . ?
C25 Si1 N2 Si2 -124.16(7) . . . . ?
C26 Si1 N2 Sn1 -168.43(7) . . . . ?
C26 Si1 N2 Si2 -5.13(9) . . . . ?
C27 Si2 N2 Sn1 110.25(6) . . . . ?
C27 Si2 N2 Si1 -53.91(8) . . . . ?
C28 Si2 N2 Sn1 -126.69(6) . . . . ?
C28 Si2 N2 Si1 69.14(8) . . . . ?
C29 Si2 N2 Sn1 -8.79(7) . . . . ?
C29 Si2 N2 Si1 -172.96(6) . . . . ?
