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#$Date: 2024-10-06 08:43:49 +0300 (Sun, 06 Oct 2024) $
#$Revision: 295124 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/35/7133593.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_7133593
loop_
_publ_author_name
'Evans, Matthew J.'
'Parr, Joseph M.'
'Nguyen, Dat T.'
'Jones, Cameron'
_publ_section_title
;
 An isolable stannaimine and its cycloaddition/metathesis reactions with
 carbon dioxide.
;
_journal_issue                   75
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10350
_journal_page_last               10353
_journal_paper_doi               10.1039/d4cc04006f
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C24 H42 N2 O Si2 Sn'
_chemical_formula_weight         549.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     fmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-06 deposited with the CCDC.	2024-08-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.035(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.4081(3)
_cell_length_b                   9.85020(10)
_cell_length_c                   24.8391(4)
_cell_measurement_reflns_used    24531
_cell_measurement_temperature    122.97(19)
_cell_measurement_theta_max      79.2840
_cell_measurement_theta_min      3.9730
_cell_volume                     5101.44(15)
_computing_cell_refinement       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'w\ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            31925
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.851
_diffrn_reflns_theta_min         3.996
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    8.997
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.95a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_description       plate
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5476
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0254
_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)+(0.0403P)²+7.9601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0679
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5356
_reflns_number_total             5476
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc04006f2.cif
_cod_data_source_block           cj1685
_cod_depositor_comments
'Adding full bibliography for 7133593--7133605.cif.'
_cod_original_cell_volume        5101.44(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7133593
_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_min   0.123
_shelx_estimated_absorpt_t_max   0.173
loop_
_space_group_symop_operation_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_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 0.63510(7) 0.23692(14) 0.53086(7) 0.0167(3) Uani 0.70(2) 1 d D . P A 1
Sn2 Sn 0.6301(3) 0.2421(4) 0.5286(2) 0.0291(7) Uani 0.30(2) 1 d D . P A 2
Si1 Si 0.66633(2) 0.42039(5) 0.65263(2) 0.01559(10) Uani 1 1 d . . . . .
Si2 Si 0.70156(2) 0.54184(5) 0.55679(2) 0.01596(10) Uani 1 1 d . . . . .
O1 O 0.70868(6) 0.47862(13) 0.62046(6) 0.0200(3) Uani 1 1 d . . . . .
N1 N 0.62145(7) 0.29106(16) 0.60568(6) 0.0144(3) Uani 1 1 d D . . . .
N2 N 0.66673(7) 0.41257(15) 0.50525(7) 0.0165(3) Uani 1 1 d D . . . .
C1 C 0.58571(8) 0.18991(18) 0.62308(7) 0.0141(3) Uani 1 1 d . . . . .
C2 C 0.62748(9) 0.06503(19) 0.65322(9) 0.0226(4) Uani 1 1 d . . . . .
H2A H 0.666517 0.094003 0.689507 0.027 Uiso 1 1 calc R U . . .
H2B H 0.641035 0.022254 0.624808 0.027 Uiso 1 1 calc R U . . .
C3 C 0.56345(11) 0.25263(19) 0.66705(10) 0.0225(4) Uani 1 1 d . . . . .
H3A H 0.601229 0.285913 0.703450 0.027 Uiso 1 1 calc R U . . .
H3B H 0.535250 0.331258 0.647487 0.027 Uiso 1 1 calc R U . . .
C4 C 0.52462(9) 0.1413(2) 0.56760(8) 0.0213(4) Uani 1 1 d . . . . .
H4A H 0.496573 0.220244 0.548145 0.026 Uiso 1 1 calc R U . . .
H4B H 0.536602 0.099884 0.537853 0.026 Uiso 1 1 calc R U . . .
C5 C 0.59063(10) -0.0393(2) 0.67162(10) 0.0302(5) Uani 1 1 d . . . . .
H5 H 0.618754 -0.119291 0.691171 0.036 Uiso 1 1 calc R U . . .
C6 C 0.48768(9) 0.0368(2) 0.58595(9) 0.0251(4) Uani 1 1 d . . . . .
H6 H 0.448703 0.006419 0.549120 0.030 Uiso 1 1 calc R U . . .
C7 C 0.52702(11) 0.1490(2) 0.68591(10) 0.0305(5) Uani 1 1 d . . . . .
H7 H 0.513899 0.192669 0.714930 0.037 Uiso 1 1 calc R U . . .
C8 C 0.57029(12) 0.0276(3) 0.71648(10) 0.0372(5) Uani 1 1 d . . . . .
H8A H 0.546981 -0.039002 0.729045 0.045 Uiso 1 1 calc R U . . .
H8B H 0.608739 0.058011 0.752987 0.045 Uiso 1 1 calc R U . . .
C9 C 0.46730(10) 0.1011(2) 0.63034(11) 0.0304(4) Uani 1 1 d . . . . .
H9A H 0.443764 0.033941 0.642365 0.036 Uiso 1 1 calc R U . . .
H9B H 0.438490 0.179047 0.611047 0.036 Uiso 1 1 calc R U . . .
C10 C 0.53085(10) -0.0854(2) 0.61514(11) 0.0297(4) Uani 1 1 d . . . . .
H10A H 0.543667 -0.127453 0.586071 0.036 Uiso 1 1 calc R U . . .
H10B H 0.507253 -0.153972 0.626388 0.036 Uiso 1 1 calc R U . . .
C11 C 0.72696(9) 0.3656(2) 0.72962(8) 0.0244(4) Uani 1 1 d . . . . .
H11A H 0.755316 0.297111 0.725863 0.037 Uiso 1 1 calc R U . . .
H11B H 0.704947 0.326713 0.751462 0.037 Uiso 1 1 calc R U . . .
H11C H 0.752397 0.444156 0.751900 0.037 Uiso 1 1 calc R U . . .
C12 C 0.61785(10) 0.5644(2) 0.65931(10) 0.0266(4) Uani 1 1 d . . . . .
H12A H 0.645666 0.643328 0.676796 0.040 Uiso 1 1 calc R U . . .
H12B H 0.598653 0.537457 0.685484 0.040 Uiso 1 1 calc R U . . .
H12C H 0.583818 0.587785 0.619150 0.040 Uiso 1 1 calc R U . . .
C13 C 0.78532(9) 0.5883(2) 0.57373(9) 0.0232(4) Uani 1 1 d . . . . .
H13A H 0.805052 0.640141 0.611517 0.035 Uiso 1 1 calc R U . . .
H13B H 0.784680 0.643734 0.540690 0.035 Uiso 1 1 calc R U . . .
H13C H 0.810226 0.505579 0.577892 0.035 Uiso 1 1 calc R U . . .
C14 C 0.65210(10) 0.7001(2) 0.53930(9) 0.0258(4) Uani 1 1 d . . . . .
H14A H 0.608804 0.677425 0.533193 0.039 Uiso 1 1 calc R U . . .
H14B H 0.649656 0.741776 0.502485 0.039 Uiso 1 1 calc R U . . .
H14C H 0.671950 0.763945 0.573055 0.039 Uiso 1 1 calc R U . . .
C15 C 0.65289(8) 0.41787(18) 0.44046(8) 0.0157(3) Uani 1 1 d . . . . .
C16 C 0.69703(9) 0.5206(2) 0.43063(9) 0.0229(4) Uani 1 1 d . . . . .
H16A H 0.691588 0.611212 0.444884 0.028 Uiso 1 1 calc R U . . .
H16B H 0.742284 0.492718 0.454878 0.028 Uiso 1 1 calc R U . . .
C17 C 0.66354(10) 0.2790(2) 0.41742(9) 0.0204(4) Uani 1 1 d . . . . .
H17A H 0.708574 0.250147 0.442018 0.024 Uiso 1 1 calc R U . . .
H17B H 0.635406 0.210283 0.422330 0.024 Uiso 1 1 calc R U . . .
C18 C 0.58281(9) 0.4604(2) 0.40063(8) 0.0207(4) Uani 1 1 d . . . . .
H18A H 0.575072 0.550209 0.413946 0.025 Uiso 1 1 calc R U . . .
H18B H 0.553786 0.393967 0.405566 0.025 Uiso 1 1 calc R U . . .
C19 C 0.68191(10) 0.5297(2) 0.36348(9) 0.0257(4) Uani 1 1 d . . . . .
H19 H 0.710756 0.598156 0.358577 0.031 Uiso 1 1 calc R U . . .
C20 C 0.56761(9) 0.4678(2) 0.33349(9) 0.0245(4) Uani 1 1 d . . . . .
H20 H 0.521872 0.495435 0.308728 0.029 Uiso 1 1 calc R U . . .
C21 C 0.64890(10) 0.2863(2) 0.35030(9) 0.0227(4) Uani 1 1 d . . . . .
H21 H 0.656095 0.195160 0.336677 0.027 Uiso 1 1 calc R U . . .
C22 C 0.69276(10) 0.3908(2) 0.34241(9) 0.0264(4) Uani 1 1 d . . . . .
H22A H 0.738118 0.363413 0.366377 0.032 Uiso 1 1 calc R U . . .
H22B H 0.683393 0.395566 0.299366 0.032 Uiso 1 1 calc R U . . .
C23 C 0.61179(11) 0.5725(2) 0.32584(9) 0.0281(4) Uani 1 1 d . . . . .
H23A H 0.604729 0.662854 0.339256 0.034 Uiso 1 1 calc R U . . .
H23B H 0.601828 0.579062 0.282693 0.034 Uiso 1 1 calc R U . . .
C24 C 0.57871(9) 0.3284(2) 0.31263(8) 0.0242(4) Uani 1 1 d . . . . .
H24A H 0.568406 0.332325 0.269340 0.029 Uiso 1 1 calc R U . . .
H24B H 0.550186 0.260499 0.317436 0.029 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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
N2 Sn1 N1 106.10(8) . . ?
N1 Sn2 N2 107.15(16) . . ?
O1 Si1 N1 104.32(7) . . ?
O1 Si1 C11 104.74(8) . . ?
N1 Si1 C11 115.11(9) . . ?
O1 Si1 C12 107.73(9) . . ?
N1 Si1 C12 114.36(9) . . ?
C11 Si1 C12 109.71(10) . . ?
O1 Si2 N2 104.04(7) . . ?
O1 Si2 C13 103.92(8) . . ?
N2 Si2 C13 116.25(9) . . ?
O1 Si2 C14 108.78(8) . . ?
N2 Si2 C14 114.12(9) . . ?
C13 Si2 C14 108.88(10) . . ?
Si1 O1 Si2 142.03(9) . . ?
C1 N1 Si1 123.32(11) . . ?
C1 N1 Sn2 114.65(14) . . ?
Si1 N1 Sn2 120.77(13) . . ?
C1 N1 Sn1 114.88(11) . . ?
Si1 N1 Sn1 119.79(9) . . ?
C15 N2 Si2 124.93(12) . . ?
C15 N2 Sn2 114.42(14) . . ?
Si2 N2 Sn2 120.25(12) . . ?
C15 N2 Sn1 115.08(11) . . ?
Si2 N2 Sn1 119.87(9) . . ?
N1 C1 C3 110.76(14) . . ?
N1 C1 C2 111.14(14) . . ?
C3 C1 C2 108.74(15) . . ?
N1 C1 C4 111.34(14) . . ?
C3 C1 C4 106.45(15) . . ?
C2 C1 C4 108.24(15) . . ?
C1 C2 C5 111.14(15) . . ?
C1 C2 H2A 109.4 . . ?
C5 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C5 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C7 C3 C1 111.39(15) . . ?
C7 C3 H3A 109.4 . . ?
C1 C3 H3A 109.4 . . ?
C7 C3 H3B 109.4 . . ?
C1 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C6 C4 C1 111.10(15) . . ?
C6 C4 H4A 109.4 . . ?
C1 C4 H4A 109.4 . . ?
C6 C4 H4B 109.4 . . ?
C1 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C10 C5 C2 109.15(17) . . ?
C10 C5 C8 109.52(18) . . ?
C2 C5 C8 109.15(18) . . ?
C10 C5 H5 109.7 . . ?
C2 C5 H5 109.7 . . ?
C8 C5 H5 109.7 . . ?
C9 C6 C10 109.97(18) . . ?
C9 C6 C4 109.77(17) . . ?
C10 C6 C4 109.16(16) . . ?
C9 C6 H6 109.3 . . ?
C10 C6 H6 109.3 . . ?
C4 C6 H6 109.3 . . ?
C9 C7 C8 109.59(19) . . ?
C9 C7 C3 109.73(18) . . ?
C8 C7 C3 109.75(18) . . ?
C9 C7 H7 109.3 . . ?
C8 C7 H7 109.3 . . ?
C3 C7 H7 109.3 . . ?
C7 C8 C5 109.11(17) . . ?
C7 C8 H8A 109.9 . . ?
C5 C8 H8A 109.9 . . ?
C7 C8 H8B 109.9 . . ?
C5 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
C6 C9 C7 108.89(16) . . ?
C6 C9 H9A 109.9 . . ?
C7 C9 H9A 109.9 . . ?
C6 C9 H9B 109.9 . . ?
C7 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C6 C10 C5 109.47(17) . . ?
C6 C10 H10A 109.8 . . ?
C5 C10 H10A 109.8 . . ?
C6 C10 H10B 109.8 . . ?
C5 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C18 110.39(14) . . ?
N2 C15 C16 111.18(14) . . ?
C18 C15 C16 108.35(15) . . ?
N2 C15 C17 112.09(14) . . ?
C18 C15 C17 107.85(15) . . ?
C16 C15 C17 106.81(15) . . ?
C19 C16 C15 111.63(15) . . ?
C19 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C19 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C21 C17 C15 111.41(15) . . ?
C21 C17 H17A 109.3 . . ?
C15 C17 H17A 109.3 . . ?
C21 C17 H17B 109.3 . . ?
C15 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C15 C18 C20 111.29(15) . . ?
C15 C18 H18A 109.4 . . ?
C20 C18 H18A 109.4 . . ?
C15 C18 H18B 109.4 . . ?
C20 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C22 C19 C23 109.64(17) . . ?
C22 C19 C16 109.03(17) . . ?
C23 C19 C16 109.35(17) . . ?
C22 C19 H19 109.6 . . ?
C23 C19 H19 109.6 . . ?
C16 C19 H19 109.6 . . ?
C24 C20 C23 109.50(17) . . ?
C24 C20 C18 109.41(16) . . ?
C23 C20 C18 109.24(16) . . ?
C24 C20 H20 109.6 . . ?
C23 C20 H20 109.6 . . ?
C18 C20 H20 109.6 . . ?
C22 C21 C24 109.59(16) . . ?
C22 C21 C17 109.72(17) . . ?
C24 C21 C17 108.78(16) . . ?
C22 C21 H21 109.6 . . ?
C24 C21 H21 109.6 . . ?
C17 C21 H21 109.6 . . ?
C19 C22 C21 109.50(16) . . ?
C19 C22 H22A 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C19 C22 H22B 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C20 C23 C19 109.58(16) . . ?
C20 C23 H23A 109.8 . . ?
C19 C23 H23A 109.8 . . ?
C20 C23 H23B 109.8 . . ?
C19 C23 H23B 109.8 . . ?
H23A C23 H23B 108.2 . . ?
C20 C24 C21 109.63(16) . . ?
C20 C24 H24A 109.7 . . ?
C21 C24 H24A 109.7 . . ?
C20 C24 H24B 109.7 . . ?
C21 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
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 N2 2.092(2) . ?
Sn1 N1 2.093(2) . ?
Sn2 N1 2.072(4) . ?
Sn2 N2 2.084(4) . ?
Si1 O1 1.6339(14) . ?
Si1 N1 1.7241(15) . ?
Si1 C11 1.8697(19) . ?
Si1 C12 1.870(2) . ?
Si2 O1 1.6363(14) . ?
Si2 N2 1.7252(15) . ?
Si2 C13 1.8658(19) . ?
Si2 C14 1.871(2) . ?
N1 C1 1.486(2) . ?
N2 C15 1.491(2) . ?
C1 C3 1.537(3) . ?
C1 C2 1.538(2) . ?
C1 C4 1.543(2) . ?
C2 C5 1.538(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C7 1.533(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C6 1.541(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C10 1.532(3) . ?
C5 C8 1.544(4) . ?
C5 H5 1.0000 . ?
C6 C9 1.524(3) . ?
C6 C10 1.526(3) . ?
C6 H6 1.0000 . ?
C7 C9 1.526(3) . ?
C7 C8 1.528(4) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
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 C18 1.539(2) . ?
C15 C16 1.543(2) . ?
C15 C17 1.546(3) . ?
C16 C19 1.542(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C21 1.544(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C20 1.541(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C22 1.527(3) . ?
C19 C23 1.533(3) . ?
C19 H19 1.0000 . ?
C20 C24 1.531(3) . ?
C20 C23 1.532(3) . ?
C20 H20 1.0000 . ?
C21 C22 1.528(3) . ?
C21 C24 1.533(3) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
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
N1 Si1 O1 Si2 56.33(16) . . . . ?
C11 Si1 O1 Si2 177.65(14) . . . . ?
C12 Si1 O1 Si2 -65.58(16) . . . . ?
N2 Si2 O1 Si1 -62.61(16) . . . . ?
C13 Si2 O1 Si1 175.27(14) . . . . ?
C14 Si2 O1 Si1 59.39(17) . . . . ?
O1 Si1 N1 C1 166.90(13) . . . . ?
C11 Si1 N1 C1 52.73(16) . . . . ?
C12 Si1 N1 C1 -75.67(16) . . . . ?
O1 Si1 N1 Sn2 0.4(2) . . . . ?
C11 Si1 N1 Sn2 -113.8(2) . . . . ?
C12 Si1 N1 Sn2 117.8(2) . . . . ?
O1 Si1 N1 Sn1 3.88(12) . . . . ?
C11 Si1 N1 Sn1 -110.30(11) . . . . ?
C12 Si1 N1 Sn1 121.30(11) . . . . ?
O1 Si2 N2 C15 -177.07(13) . . . . ?
C13 Si2 N2 C15 -63.51(16) . . . . ?
C14 Si2 N2 C15 64.54(16) . . . . ?
O1 Si2 N2 Sn2 10.6(3) . . . . ?
C13 Si2 N2 Sn2 124.2(3) . . . . ?
C14 Si2 N2 Sn2 -107.8(3) . . . . ?
O1 Si2 N2 Sn1 6.97(12) . . . . ?
C13 Si2 N2 Sn1 120.54(11) . . . . ?
C14 Si2 N2 Sn1 -111.42(12) . . . . ?
Si1 N1 C1 C3 30.5(2) . . . . ?
Sn2 N1 C1 C3 -162.2(2) . . . . ?
Sn1 N1 C1 C3 -165.69(13) . . . . ?
Si1 N1 C1 C2 -90.48(17) . . . . ?
Sn2 N1 C1 C2 76.8(3) . . . . ?
Sn1 N1 C1 C2 73.31(16) . . . . ?
Si1 N1 C1 C4 148.77(13) . . . . ?
Sn2 N1 C1 C4 -44.0(3) . . . . ?
Sn1 N1 C1 C4 -47.45(17) . . . . ?
N1 C1 C2 C5 179.62(16) . . . . ?
C3 C1 C2 C5 57.4(2) . . . . ?
C4 C1 C2 C5 -57.8(2) . . . . ?
N1 C1 C3 C7 -179.46(16) . . . . ?
C2 C1 C3 C7 -57.0(2) . . . . ?
C4 C1 C3 C7 59.4(2) . . . . ?
N1 C1 C4 C6 -179.85(15) . . . . ?
C3 C1 C4 C6 -59.0(2) . . . . ?
C2 C1 C4 C6 57.7(2) . . . . ?
C1 C2 C5 C10 60.0(2) . . . . ?
C1 C2 C5 C8 -59.7(2) . . . . ?
C1 C4 C6 C9 60.8(2) . . . . ?
C1 C4 C6 C10 -59.8(2) . . . . ?
C1 C3 C7 C9 -61.1(2) . . . . ?
C1 C3 C7 C8 59.3(2) . . . . ?
C9 C7 C8 C5 60.5(2) . . . . ?
C3 C7 C8 C5 -60.1(2) . . . . ?
C10 C5 C8 C7 -59.2(2) . . . . ?
C2 C5 C8 C7 60.2(2) . . . . ?
C10 C6 C9 C7 60.9(2) . . . . ?
C4 C6 C9 C7 -59.2(2) . . . . ?
C8 C7 C9 C6 -61.2(2) . . . . ?
C3 C7 C9 C6 59.4(2) . . . . ?
C9 C6 C10 C5 -60.0(2) . . . . ?
C4 C6 C10 C5 60.5(2) . . . . ?
C2 C5 C10 C6 -60.6(2) . . . . ?
C8 C5 C10 C6 58.9(2) . . . . ?
Si2 N2 C15 C18 -96.20(16) . . . . ?
Sn2 N2 C15 C18 76.5(3) . . . . ?
Sn1 N2 C15 C18 79.93(16) . . . . ?
Si2 N2 C15 C16 24.1(2) . . . . ?
Sn2 N2 C15 C16 -163.2(2) . . . . ?
Sn1 N2 C15 C16 -159.80(13) . . . . ?
Si2 N2 C15 C17 143.55(14) . . . . ?
Sn2 N2 C15 C17 -43.8(3) . . . . ?
Sn1 N2 C15 C17 -40.32(18) . . . . ?
N2 C15 C16 C19 -178.46(16) . . . . ?
C18 C15 C16 C19 -57.0(2) . . . . ?
C17 C15 C16 C19 59.0(2) . . . . ?
N2 C15 C17 C21 179.90(15) . . . . ?
C18 C15 C17 C21 58.2(2) . . . . ?
C16 C15 C17 C21 -58.1(2) . . . . ?
N2 C15 C18 C20 179.47(15) . . . . ?
C16 C15 C18 C20 57.5(2) . . . . ?
C17 C15 C18 C20 -57.8(2) . . . . ?
C15 C16 C19 C22 -61.0(2) . . . . ?
C15 C16 C19 C23 58.8(2) . . . . ?
C15 C18 C20 C24 59.8(2) . . . . ?
C15 C18 C20 C23 -60.1(2) . . . . ?
C15 C17 C21 C22 59.8(2) . . . . ?
C15 C17 C21 C24 -60.1(2) . . . . ?
C23 C19 C22 C21 -60.0(2) . . . . ?
C16 C19 C22 C21 59.7(2) . . . . ?
C24 C21 C22 C19 60.0(2) . . . . ?
C17 C21 C22 C19 -59.4(2) . . . . ?
C24 C20 C23 C19 -59.5(2) . . . . ?
C18 C20 C23 C19 60.3(2) . . . . ?
C22 C19 C23 C20 59.8(2) . . . . ?
C16 C19 C23 C20 -59.7(2) . . . . ?
C23 C20 C24 C21 59.5(2) . . . . ?
C18 C20 C24 C21 -60.2(2) . . . . ?
C22 C21 C24 C20 -59.8(2) . . . . ?
C17 C21 C24 C20 60.2(2) . . . . ?
