#------------------------------------------------------------------------------
#$Date: 2022-11-17 02:04:32 +0200 (Thu, 17 Nov 2022) $
#$Revision: 279338 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/17/7711799.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_7711799
loop_
_publ_author_name
'Singh, Vivek Kumar'
'Joshi, Prakash Chandra'
'Kumar, Hemant'
'Siwatch, Rahul Kumar'
'Jha, Chandan Kumar'
'Nagendran, Selvarajan'
_publ_section_title
;
 Stannylene cyanide and its use as a cyanosilylation catalyst.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16906
_journal_page_last               16914
_journal_paper_doi               10.1039/d2dt02721f
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C21 H41 N3 Si2 Sn'
_chemical_formula_sum            'C21 H41 N3 Si2 Sn'
_chemical_formula_weight         510.461
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_audit_creation_date             2021-06-25
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2022-03-11 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                96.817(3)
_cell_angle_beta                 105.219(2)
_cell_angle_gamma                107.753(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6894(4)
_cell_length_b                   11.1113(5)
_cell_length_c                   15.0434(7)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.54
_cell_volume                     1303.18(11)
_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  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.9994
_diffrn_reflns_Laue_measured_fraction_max 0.9960
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33549
_diffrn_reflns_point_group_measured_fraction_full 0.9994
_diffrn_reflns_point_group_measured_fraction_max 0.9960
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.97
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.083
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0952 before and 0.0536 after correction.
The Ratio of minimum to maximum transmission is 0.8270.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_description       block
_exptl_crystal_F_000             532.0
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.6988
_refine_diff_density_min         -0.6799
_refine_diff_density_rms         0.0853
_refine_ls_d_res_high            0.7486
_refine_ls_d_res_low             10.3318
_refine_ls_goodness_of_fit_ref   1.0547
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    60
_refine_ls_number_parameters     254
_refine_ls_number_reflns         6500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0547
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0224P)²+1.2228P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0631
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                5915
_reflns_number_total             6526
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d2dt02721f2.cif
_cod_data_source_block           VS107_SNNTMS_0m_a
_cod_database_code               7711799
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b), C12(H12a,H12b)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C2(H2), C3(H3)
2.d Idealised Me refined as rotating group:
 C17(H17a,H17b,H17c), C20(H20a,H20b,H20c), C14(H14a,H14b,H14c), C16(H16a,H16b,
 H16c), C10(H10a,H10b,H10c), C15(H15a,H15b,H15c), C18(H18a,H18b,H18c), C11(H11a,
 H11b,H11c), C19(H19a,H19b,H19c), C21(H21a,H21b,H21c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
Sn1 Sn 0.588546(17) 0.344569(13) 0.698476(9) 0.02062(5) Uani 1.000000 .
Si1 Si 0.26050(7) 0.25940(5) 0.79770(4) 0.02063(11) Uani 1.000000 .
Si2 Si 0.57541(9) 0.19556(7) 0.86894(5) 0.03343(15) Uani 1.000000 .
N2 N 0.3882(2) 0.34584(16) 0.57419(11) 0.0196(3) Uani 1.000000 .
N1 N 0.5472(2) 0.52572(16) 0.72730(12) 0.0217(3) Uani 1.000000 .
N3 N 0.4575(2) 0.26176(17) 0.79145(12) 0.0215(3) Uani 1.000000 .
C1 C 0.4328(2) 0.55304(19) 0.66277(14) 0.0207(4) Uani 1.000000 .
C7 C 0.3515(2) 0.45424(19) 0.57275(14) 0.0194(4) Uani 1.000000 .
C6 C 0.2464(3) 0.4725(2) 0.48991(14) 0.0235(4) Uani 1.000000 .
H6 H 0.2165(3) 0.4058(2) 0.43607(14) 0.0282(5) Uiso 1.000000 R
C5 C 0.1781(3) 0.5685(2) 0.47137(15) 0.0260(4) Uani 1.000000 .
H5 H 0.1127(3) 0.5571(2) 0.40751(15) 0.0312(5) Uiso 1.000000 R
C17 C 0.1159(3) 0.2793(2) 0.68822(16) 0.0290(5) Uani 1.000000 .
H17a H 0.1609(12) 0.3679(5) 0.6797(7) 0.0436(7) Uiso 1.000000 GR
H17b H 0.1092(17) 0.2181(11) 0.6336(2) 0.0436(7) Uiso 1.000000 GR
H17c H 0.0020(6) 0.2624(16) 0.6942(5) 0.0436(7) Uiso 1.000000 GR
C4 C 0.1904(3) 0.6773(2) 0.53120(17) 0.0294(5) Uani 1.000000 .
H4 H 0.1301(3) 0.7299(2) 0.50507(17) 0.0352(5) Uiso 1.000000 R
C8 C 0.6438(3) 0.6139(2) 0.81973(14) 0.0246(4) Uani 1.000000 .
H8a H 0.5651(3) 0.6461(2) 0.84414(14) 0.0295(5) Uiso 1.000000 R
H8b H 0.6888(3) 0.5646(2) 0.86418(14) 0.0295(5) Uiso 1.000000 R
C2 C 0.3891(3) 0.6642(2) 0.68185(16) 0.0274(4) Uani 1.000000 .
H2 H 0.4427(3) 0.7122(2) 0.74513(16) 0.0329(5) Uiso 1.000000 R
C12 C 0.3169(3) 0.24574(19) 0.48676(14) 0.0233(4) Uani 1.000000 .
H12a H 0.1914(3) 0.22026(19) 0.46620(14) 0.0279(5) Uiso 1.000000 R
H12b H 0.3572(3) 0.28371(19) 0.43712(14) 0.0279(5) Uiso 1.000000 R
C20 C 0.5628(3) 0.2230(3) 0.99104(16) 0.0342(5) Uani 1.000000 .
H20a H 0.609(2) 0.3161(3) 1.0186(5) 0.0513(8) Uiso 1.000000 GR
H20b H 0.4437(4) 0.1877(16) 0.9891(2) 0.0513(8) Uiso 1.000000 GR
H20c H 0.6292(19) 0.1796(15) 1.0296(4) 0.0513(8) Uiso 1.000000 GR
C3 C 0.2831(3) 0.7166(2) 0.62605(17) 0.0314(5) Uani 1.000000 .
H3 H 0.2727(3) 0.7913(2) 0.65815(17) 0.0377(6) Uiso 1.000000 R
C13 C 0.3622(3) 0.1245(2) 0.49416(15) 0.0244(4) Uani 1.000000 .
H13 H 0.4887(3) 0.1513(2) 0.52180(15) 0.0293(5) Uiso 1.000000 R
C14 C 0.2796(3) 0.0447(2) 0.55632(16) 0.0299(5) Uani 1.000000 .
H14a H 0.3143(17) 0.0983(5) 0.6197(4) 0.0448(7) Uiso 1.000000 GR
H14b H 0.1554(3) 0.0148(14) 0.5289(7) 0.0448(7) Uiso 1.000000 GR
H14c H 0.3162(17) -0.0303(9) 0.5602(10) 0.0448(7) Uiso 1.000000 GR
C9 C 0.7926(3) 0.7302(2) 0.81788(15) 0.0280(4) Uani 1.000000 .
H9 H 0.7487(3) 0.7735(2) 0.76741(15) 0.0335(5) Uiso 1.000000 R
C16 C 0.1372(3) 0.0996(2) 0.81796(17) 0.0336(5) Uani 1.000000 .
H16a H 0.119(2) 0.0301(3) 0.7656(7) 0.0504(8) Uiso 1.000000 GR
H16b H 0.2012(11) 0.0848(8) 0.8771(7) 0.0504(8) Uiso 1.000000 GR
H16c H 0.0267(10) 0.1007(7) 0.8217(13) 0.0504(8) Uiso 1.000000 GR
C10 C 0.8613(3) 0.8265(2) 0.91271(16) 0.0331(5) Uani 1.000000 .
H10a H 0.7723(8) 0.8587(13) 0.9222(6) 0.0497(7) Uiso 1.000000 GR
H10b H 0.896(2) 0.7833(5) 0.96360(19) 0.0497(7) Uiso 1.000000 GR
H10c H 0.9599(14) 0.8992(9) 0.9132(5) 0.0497(7) Uiso 1.000000 GR
C15 C 0.3080(3) 0.0426(2) 0.39466(16) 0.0314(5) Uani 1.000000 .
H15a H 0.1854(5) 0.0204(14) 0.3649(5) 0.0471(7) Uiso 1.000000 GR
H15b H 0.3701(17) 0.0917(7) 0.3572(4) 0.0471(7) Uiso 1.000000 GR
H15c H 0.334(2) -0.0370(8) 0.39812(18) 0.0471(7) Uiso 1.000000 GR
C18 C 0.2815(3) 0.3922(2) 0.89425(18) 0.0342(5) Uani 1.000000 .
H18a H 0.351(2) 0.3841(11) 0.9546(3) 0.0512(8) Uiso 1.000000 GR
H18b H 0.336(2) 0.4762(2) 0.8811(7) 0.0512(8) Uiso 1.000000 GR
H18c H 0.1683(3) 0.3858(11) 0.8976(9) 0.0512(8) Uiso 1.000000 GR
C11 C 0.9327(3) 0.6888(3) 0.79603(18) 0.0398(6) Uani 1.000000 .
H11a H 0.9807(18) 0.6496(18) 0.8464(7) 0.0597(9) Uiso 1.000000 GR
H11b H 0.8851(6) 0.6255(15) 0.7358(7) 0.0597(9) Uiso 1.000000 GR
H11c H 1.0225(12) 0.7646(4) 0.7918(14) 0.0597(9) Uiso 1.000000 GR
C19 C 0.5086(7) 0.0152(4) 0.8263(2) 0.0831(15) Uani 1.000000 .
H19a H 0.3894(14) -0.0263(5) 0.823(2) 0.125(2) Uiso 1.000000 GR
H19b H 0.521(4) -0.0032(4) 0.7637(10) 0.125(2) Uiso 1.000000 GR
H19c H 0.581(3) -0.0186(6) 0.8704(12) 0.125(2) Uiso 1.000000 GR
C21 C 0.8062(4) 0.2650(6) 0.8843(3) 0.116(2) Uani 1.000000 .
H21a H 0.8242(7) 0.252(4) 0.8227(5) 0.174(3) Uiso 1.000000 GR
H21b H 0.8486(12) 0.3580(10) 0.912(3) 0.174(3) Uiso 1.000000 GR
H21c H 0.8677(8) 0.222(3) 0.926(2) 0.174(3) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Si 0.08192 0.07060 6.29150 3.03530 1.98910 1.54100 2.43860 32.33370 0.67850
81.69370 1.14069998264
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Sn -0.62110 1.42230 19.18890 19.10050 4.45850 2.46630 5.83030 0.50310 26.89090
83.95710 4.78210020065
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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 Sn1 N2 73.14(6) . . ?
N3 Sn1 N2 105.42(6) . . ?
N3 Sn1 N1 93.26(6) . . ?
C17 Si1 N3 115.15(9) . . ?
C16 Si1 N3 110.86(10) . . ?
C16 Si1 C17 104.37(10) . . ?
C18 Si1 N3 111.59(10) . . ?
C18 Si1 C17 105.43(11) . . ?
C18 Si1 C16 108.98(12) . . ?
C20 Si2 N3 114.66(10) . . ?
C19 Si2 N3 111.57(13) . . ?
C19 Si2 C20 106.83(14) . . ?
C21 Si2 N3 112.02(13) . . ?
C21 Si2 C20 104.37(17) . . ?
C21 Si2 C19 106.8(3) . . ?
C7 N2 Sn1 117.39(13) . . ?
C12 N2 Sn1 123.53(12) . . ?
C12 N2 C7 118.03(16) . . ?
C1 N1 Sn1 119.75(13) . . ?
C8 N1 Sn1 118.52(13) . . ?
C8 N1 C1 121.71(17) . . ?
Si1 N3 Sn1 128.00(9) . . ?
Si2 N3 Sn1 112.09(8) . . ?
Si2 N3 Si1 119.88(10) . . ?
C7 C1 N1 114.00(17) . . ?
C2 C1 N1 121.77(19) . . ?
C2 C1 C7 124.16(18) . . ?
C1 C7 N2 115.05(17) . . ?
C6 C7 N2 121.41(18) . . ?
C6 C7 C1 123.52(18) . . ?
H6 C6 C7 113.51(11) . . ?
C5 C6 C7 133.0(2) . . ?
C5 C6 H6 113.51(13) . . ?
H5 C5 C6 114.97(13) . . ?
C4 C5 C6 130.1(2) . . ?
C4 C5 H5 114.97(13) . . ?
H17a C17 Si1 109.5 . . ?
H17b C17 Si1 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 Si1 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
H4 C4 C5 117.25(13) . . ?
C3 C4 C5 125.5(2) . . ?
C3 C4 H4 117.25(13) . . ?
H8a C8 N1 108.73(11) . . ?
H8b C8 N1 108.73(11) . . ?
H8b C8 H8a 107.6 . . ?
C9 C8 N1 114.08(17) . . ?
C9 C8 H8a 108.73(12) . . ?
C9 C8 H8b 108.73(12) . . ?
H2 C2 C1 113.74(12) . . ?
C3 C2 C1 132.5(2) . . ?
C3 C2 H2 113.74(13) . . ?
H12a C12 N2 108.51(10) . . ?
H12b C12 N2 108.51(10) . . ?
H12b C12 H12a 107.5 . . ?
C13 C12 N2 115.03(16) . . ?
C13 C12 H12a 108.51(11) . . ?
C13 C12 H12b 108.51(11) . . ?
H20a C20 Si2 109.5 . . ?
H20b C20 Si2 109.5 . . ?
H20b C20 H20a 109.5 . . ?
H20c C20 Si2 109.5 . . ?
H20c C20 H20a 109.5 . . ?
H20c C20 H20b 109.5 . . ?
C2 C3 C4 130.2(2) . . ?
H3 C3 C4 114.90(13) . . ?
H3 C3 C2 114.90(13) . . ?
H13 C13 C12 108.40(11) . . ?
C14 C13 C12 113.11(17) . . ?
C14 C13 H13 108.40(12) . . ?
C15 C13 C12 108.30(17) . . ?
C15 C13 H13 108.40(12) . . ?
C15 C13 C14 110.12(18) . . ?
H14a C14 C13 109.5 . . ?
H14b C14 C13 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 C13 109.5 . . ?
H14c C14 H14a 109.5 . . ?
H14c C14 H14b 109.5 . . ?
H9 C9 C8 108.41(11) . . ?
C10 C9 C8 108.99(18) . . ?
C10 C9 H9 108.41(13) . . ?
C11 C9 C8 111.60(19) . . ?
C11 C9 H9 108.41(13) . . ?
C11 C9 C10 110.94(19) . . ?
H16a C16 Si1 109.5 . . ?
H16b C16 Si1 109.5 . . ?
H16b C16 H16a 109.5 . . ?
H16c C16 Si1 109.5 . . ?
H16c C16 H16a 109.5 . . ?
H16c C16 H16b 109.5 . . ?
H10a C10 C9 109.5 . . ?
H10b C10 C9 109.5 . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 C9 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
H15a C15 C13 109.5 . . ?
H15b C15 C13 109.5 . . ?
H15b C15 H15a 109.5 . . ?
H15c C15 C13 109.5 . . ?
H15c C15 H15a 109.5 . . ?
H15c C15 H15b 109.5 . . ?
H18a C18 Si1 109.5 . . ?
H18b C18 Si1 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 Si1 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?
H11a C11 C9 109.5 . . ?
H11b C11 C9 109.5 . . ?
H11b C11 H11a 109.5 . . ?
H11c C11 C9 109.5 . . ?
H11c C11 H11a 109.5 . . ?
H11c C11 H11b 109.5 . . ?
H19a C19 Si2 109.5 . . ?
H19b C19 Si2 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 Si2 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H21a C21 Si2 109.5 . . ?
H21b C21 Si2 109.5 . . ?
H21b C21 H21a 109.5 . . ?
H21c C21 Si2 109.5 . . ?
H21c C21 H21a 109.5 . . ?
H21c C21 H21b 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 N2 2.1999(16) . ?
Sn1 N1 2.1641(17) . ?
Sn1 N3 2.1454(16) . ?
Si1 N3 1.7313(17) . ?
Si1 C17 1.873(2) . ?
Si1 C16 1.879(2) . ?
Si1 C18 1.873(2) . ?
Si2 N3 1.7279(17) . ?
Si2 C20 1.863(2) . ?
Si2 C19 1.885(3) . ?
Si2 C21 1.855(3) . ?
N2 C7 1.338(2) . ?
N2 C12 1.468(2) . ?
N1 C1 1.331(3) . ?
N1 C8 1.470(3) . ?
C1 C7 1.487(3) . ?
C1 C2 1.418(3) . ?
C7 C6 1.416(3) . ?
C6 H6 0.9500 . ?
C6 C5 1.392(3) . ?
C5 H5 0.9500 . ?
C5 C4 1.377(3) . ?
C17 H17a 0.9800 . ?
C17 H17b 0.9800 . ?
C17 H17c 0.9800 . ?
C4 H4 0.9500 . ?
C4 C3 1.382(3) . ?
C8 H8a 0.9900 . ?
C8 H8b 0.9900 . ?
C8 C9 1.533(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(3) . ?
C12 H12a 0.9900 . ?
C12 H12b 0.9900 . ?
C12 C13 1.523(3) . ?
C20 H20a 0.9800 . ?
C20 H20b 0.9800 . ?
C20 H20c 0.9800 . ?
C3 H3 0.9500 . ?
C13 H13 1.0000 . ?
C13 C14 1.529(3) . ?
C13 C15 1.528(3) . ?
C14 H14a 0.9800 . ?
C14 H14b 0.9800 . ?
C14 H14c 0.9800 . ?
C9 H9 1.0000 . ?
C9 C10 1.529(3) . ?
C9 C11 1.523(3) . ?
C16 H16a 0.9800 . ?
C16 H16b 0.9800 . ?
C16 H16c 0.9800 . ?
C10 H10a 0.9800 . ?
C10 H10b 0.9800 . ?
C10 H10c 0.9800 . ?
C15 H15a 0.9800 . ?
C15 H15b 0.9800 . ?
C15 H15c 0.9800 . ?
C18 H18a 0.9800 . ?
C18 H18b 0.9800 . ?
C18 H18c 0.9800 . ?
C11 H11a 0.9800 . ?
C11 H11b 0.9800 . ?
C11 H11c 0.9800 . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
C21 H21a 0.9800 . ?
C21 H21b 0.9800 . ?
C21 H21c 0.9800 . ?
