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#$Date: 2024-07-05 19:04:12 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293020 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/59/7715980.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_7715980
loop_
_publ_author_name
'Zender, Elena'
'Valverde, Danillo'
'Neubaur, Robert'
'Karger, Sebastian'
'Virovets, Alexander'
'Bolte, Michael'
'Lerner, Hans-Wolfram'
'Olivier, Yoann'
'Wagner, Matthias'
_publ_section_title
;
 Borylation and rearrangement reactions of azasilaanthracenes to afford
 B,N-doped nanographenes.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9294
_journal_page_last               9300
_journal_paper_doi               10.1039/d4dt01166j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C34 H32 N2 Si2'
_chemical_formula_sum            'C34 H32 N2 Si2'
_chemical_formula_weight         524.79
_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     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-06 deposited with the CCDC.	2024-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.866(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.900(3)
_cell_length_b                   12.1623(7)
_cell_length_c                   15.9963(11)
_cell_measurement_reflns_used    4769
_cell_measurement_temperature    238(2)
_cell_measurement_theta_max      26.8410
_cell_measurement_theta_min      3.1520
_cell_volume                     5830.5(9)
_computing_cell_refinement       'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'CrysAlisPro 1.171.42.43a (Rigaku OD, 2022)'
_computing_publication_material  'IUCr PublCIF online service'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. M. Sheldrick, 2015)'
_diffrn_ambient_temperature      238(2)
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate (34 cm diameter)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21123
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         2.508
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.43a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_description       'elongated plate (plank)'
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5517
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0537
_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)+(0.0648P)²+3.8455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4002
_reflns_number_total             5517
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01166j3.cif
_cod_data_source_block           wa3275
_cod_depositor_comments
'Adding full bibliography for 7715973--7715981.cif.'
_cod_original_cell_volume        5830.4(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7715980
_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   0.930
_shelx_estimated_absorpt_t_max   0.985
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
Si1 Si 0.57923(2) 0.27882(6) 0.64392(5) 0.0415(2) Uani 1 1 d . . . . .
Si2 Si 0.90112(2) 0.28498(7) 0.76131(5) 0.0509(2) Uani 1 1 d . . . . .
N1 N 0.65927(6) 0.43499(16) 0.66774(13) 0.0360(4) Uani 1 1 d . . . . .
N2 N 0.81182(6) 0.41593(17) 0.71635(13) 0.0378(5) Uani 1 1 d . . . . .
C1 C 0.57742(13) 0.1364(3) 0.6013(3) 0.0798(10) Uani 1 1 d . . . . .
H1A H 0.602242 0.124840 0.587941 0.120 Uiso 1 1 calc R U . . .
H1B H 0.549573 0.124769 0.544089 0.120 Uiso 1 1 calc R U . . .
H1C H 0.579513 0.084889 0.649508 0.120 Uiso 1 1 calc R U . . .
C2 C 0.53040(9) 0.3003(3) 0.6656(2) 0.0763(10) Uani 1 1 d . . . . .
H2A H 0.529711 0.242938 0.706978 0.115 Uiso 1 1 calc R U . . .
H2B H 0.503150 0.297807 0.605908 0.115 Uiso 1 1 calc R U . . .
H2C H 0.532890 0.371430 0.695098 0.115 Uiso 1 1 calc R U . . .
C3 C 0.91221(12) 0.1342(3) 0.7812(3) 0.0796(10) Uani 1 1 d . . . . .
H3A H 0.930651 0.120262 0.848139 0.119 Uiso 1 1 calc R U . . .
H3B H 0.927584 0.108868 0.746626 0.119 Uiso 1 1 calc R U . . .
H3C H 0.884151 0.095124 0.759056 0.119 Uiso 1 1 calc R U . . .
C4 C 0.95182(11) 0.3549(4) 0.7732(3) 0.0974(14) Uani 1 1 d . . . . .
H4A H 0.945342 0.431984 0.757148 0.146 Uiso 1 1 calc R U . . .
H4B H 0.961422 0.321067 0.730813 0.146 Uiso 1 1 calc R U . . .
H4C H 0.975332 0.348304 0.837852 0.146 Uiso 1 1 calc R U . . .
C11 C 0.66347(7) 0.38402(19) 0.75094(15) 0.0332(5) Uani 1 1 d . . . . .
C12 C 0.63165(7) 0.31006(19) 0.75160(16) 0.0363(5) Uani 1 1 d . . . . .
C13 C 0.63965(9) 0.2638(2) 0.83798(18) 0.0465(6) Uani 1 1 d . . . . .
H13 H 0.618460 0.214611 0.838895 0.056 Uiso 1 1 calc R U . . .
C14 C 0.67705(9) 0.2866(2) 0.92188(18) 0.0498(7) Uani 1 1 d . . . . .
H14 H 0.681502 0.253208 0.978617 0.060 Uiso 1 1 calc R U . . .
C15 C 0.70758(9) 0.3593(2) 0.92051(17) 0.0465(6) Uani 1 1 d . . . . .
H15 H 0.733310 0.376134 0.977081 0.056 Uiso 1 1 calc R U . . .
C16 C 0.70110(8) 0.4081(2) 0.83743(16) 0.0416(6) Uani 1 1 d . . . . .
H16 H 0.722313 0.458659 0.838512 0.050 Uiso 1 1 calc R U . . .
C21 C 0.62041(7) 0.43792(19) 0.57843(16) 0.0363(5) Uani 1 1 d . . . . .
C22 C 0.58169(7) 0.3783(2) 0.56009(17) 0.0416(6) Uani 1 1 d . . . . .
C23 C 0.54483(9) 0.3898(3) 0.4709(2) 0.0615(8) Uani 1 1 d . . . . .
H23 H 0.518649 0.350812 0.457926 0.074 Uiso 1 1 calc R U . . .
C24 C 0.54503(10) 0.4552(3) 0.4012(2) 0.0730(9) Uani 1 1 d . . . . .
H24 H 0.519385 0.462247 0.342366 0.088 Uiso 1 1 calc R U . . .
C25 C 0.58344(10) 0.5100(3) 0.4194(2) 0.0637(8) Uani 1 1 d . . . . .
H25 H 0.584302 0.554329 0.372131 0.076 Uiso 1 1 calc R U . . .
C26 C 0.62085(9) 0.5010(2) 0.50579(17) 0.0487(6) Uani 1 1 d . . . . .
H26 H 0.647117 0.537938 0.516189 0.058 Uiso 1 1 calc R U . . .
C31 C 0.69829(7) 0.49111(19) 0.67574(15) 0.0330(5) Uani 1 1 d . . . . .
C32 C 0.73455(7) 0.43004(19) 0.68593(15) 0.0346(5) Uani 1 1 d . . . . .
H32 H 0.732968 0.352851 0.684996 0.042 Uiso 1 1 calc R U . . .
C33 C 0.77312(7) 0.48106(19) 0.69749(15) 0.0343(5) Uani 1 1 d . . . . .
C34 C 0.77493(8) 0.5949(2) 0.69486(16) 0.0388(5) Uani 1 1 d . . . . .
H34 H 0.800780 0.630141 0.700694 0.047 Uiso 1 1 calc R U . . .
C35 C 0.73850(8) 0.6559(2) 0.68363(16) 0.0397(5) Uani 1 1 d . . . . .
H35 H 0.739470 0.732997 0.680829 0.048 Uiso 1 1 calc R U . . .
C36 C 0.70058(8) 0.6052(2) 0.67643(16) 0.0386(5) Uani 1 1 d . . . . .
H36 H 0.676487 0.647539 0.672033 0.046 Uiso 1 1 calc R U . . .
C41 C 0.84218(7) 0.39878(19) 0.81305(16) 0.0358(5) Uani 1 1 d . . . . .
C42 C 0.88275(8) 0.3425(2) 0.84355(17) 0.0432(6) Uani 1 1 d . . . . .
C43 C 0.91051(9) 0.3322(3) 0.94080(19) 0.0559(7) Uani 1 1 d . . . . .
H43 H 0.937549 0.293888 0.961505 0.067 Uiso 1 1 calc R U . . .
C44 C 0.90029(9) 0.3753(3) 1.00755(19) 0.0601(8) Uani 1 1 d . . . . .
H44 H 0.920012 0.367546 1.072398 0.072 Uiso 1 1 calc R U . . .
C45 C 0.86040(9) 0.4302(2) 0.97711(18) 0.0505(7) Uani 1 1 d . . . . .
H45 H 0.852693 0.460632 1.021511 0.061 Uiso 1 1 calc R U . . .
C46 C 0.83162(8) 0.4406(2) 0.88149(16) 0.0416(6) Uani 1 1 d . . . . .
H46 H 0.804218 0.476872 0.862024 0.050 Uiso 1 1 calc R U . . .
C51 C 0.81519(7) 0.37349(19) 0.63737(16) 0.0365(5) Uani 1 1 d . . . . .
C52 C 0.85274(8) 0.3153(2) 0.64578(18) 0.0418(6) Uani 1 1 d . . . . .
C53 C 0.85288(9) 0.2793(2) 0.56286(19) 0.0508(7) Uani 1 1 d . . . . .
H53 H 0.877991 0.240993 0.567934 0.061 Uiso 1 1 calc R U . . .
C54 C 0.81807(10) 0.2973(2) 0.47463(19) 0.0523(7) Uani 1 1 d . . . . .
H54 H 0.819451 0.272983 0.420267 0.063 Uiso 1 1 calc R U . . .
C55 C 0.78115(9) 0.3516(2) 0.46744(18) 0.0481(6) Uani 1 1 d . . . . .
H55 H 0.756651 0.362662 0.407457 0.058 Uiso 1 1 calc R U . . .
C56 C 0.77931(8) 0.3903(2) 0.54670(17) 0.0421(6) Uani 1 1 d . . . . .
H56 H 0.753836 0.428277 0.539959 0.051 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'
Si Si 0.0817 0.0704 '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
C22 Si1 C12 101.13(11) . . ?
C22 Si1 C1 110.64(15) . . ?
C12 Si1 C1 112.81(14) . . ?
C22 Si1 C2 113.02(15) . . ?
C12 Si1 C2 110.46(13) . . ?
C1 Si1 C2 108.70(17) . . ?
C42 Si2 C4 111.23(16) . . ?
C42 Si2 C52 101.60(11) . . ?
C4 Si2 C52 111.09(16) . . ?
C42 Si2 C3 111.12(14) . . ?
C4 Si2 C3 109.32(19) . . ?
C52 Si2 C3 112.34(15) . . ?
C11 N1 C21 126.57(18) . . ?
C11 N1 C31 116.11(17) . . ?
C21 N1 C31 117.31(18) . . ?
C41 N2 C51 126.82(18) . . ?
C41 N2 C33 115.84(18) . . ?
C51 N2 C33 117.32(18) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C16 C11 C12 118.1(2) . . ?
C16 C11 N1 118.7(2) . . ?
C12 C11 N1 123.14(19) . . ?
C13 C12 C11 118.0(2) . . ?
C13 C12 Si1 119.82(18) . . ?
C11 C12 Si1 122.08(17) . . ?
C14 C13 C12 123.2(2) . . ?
C14 C13 H13 118.4 . . ?
C12 C13 H13 118.4 . . ?
C15 C14 C13 118.3(2) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C14 C15 C16 120.9(2) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C11 121.5(2) . . ?
C15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
C26 C21 C22 118.8(2) . . ?
C26 C21 N1 119.0(2) . . ?
C22 C21 N1 122.3(2) . . ?
C23 C22 C21 117.7(2) . . ?
C23 C22 Si1 119.2(2) . . ?
C21 C22 Si1 122.97(17) . . ?
C24 C23 C22 123.1(3) . . ?
C24 C23 H23 118.5 . . ?
C22 C23 H23 118.5 . . ?
C25 C24 C23 118.4(3) . . ?
C25 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
C24 C25 C26 121.0(3) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C25 C26 C21 121.0(3) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C32 C31 C36 119.6(2) . . ?
C32 C31 N1 119.1(2) . . ?
C36 C31 N1 121.3(2) . . ?
C31 C32 C33 120.7(2) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 119.8(2) . . ?
C32 C33 N2 119.7(2) . . ?
C34 C33 N2 120.5(2) . . ?
C35 C34 C33 119.4(2) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.8(2) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C31 119.5(2) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.2 . . ?
C46 C41 C42 118.3(2) . . ?
C46 C41 N2 118.7(2) . . ?
C42 C41 N2 123.0(2) . . ?
C43 C42 C41 118.1(2) . . ?
C43 C42 Si2 119.09(19) . . ?
C41 C42 Si2 122.81(18) . . ?
C44 C43 C42 123.3(2) . . ?
C44 C43 H43 118.3 . . ?
C42 C43 H43 118.3 . . ?
C43 C44 C45 118.3(2) . . ?
C43 C44 H44 120.9 . . ?
C45 C44 H44 120.9 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.8(2) . . ?
C45 C46 H46 119.1 . . ?
C41 C46 H46 119.1 . . ?
C56 C51 C52 118.7(2) . . ?
C56 C51 N2 118.4(2) . . ?
C52 C51 N2 123.0(2) . . ?
C53 C52 C51 118.1(2) . . ?
C53 C52 Si2 119.45(19) . . ?
C51 C52 Si2 122.48(18) . . ?
C54 C53 C52 123.0(2) . . ?
C54 C53 H53 118.5 . . ?
C52 C53 H53 118.5 . . ?
C53 C54 C55 118.4(2) . . ?
C53 C54 H54 120.8 . . ?
C55 C54 H54 120.8 . . ?
C54 C55 C56 121.2(2) . . ?
C54 C55 H55 119.4 . . ?
C56 C55 H55 119.4 . . ?
C55 C56 C51 120.6(2) . . ?
C55 C56 H56 119.7 . . ?
C51 C56 H56 119.7 . . ?
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
Si1 C22 1.837(3) . ?
Si1 C12 1.846(2) . ?
Si1 C1 1.853(3) . ?
Si1 C2 1.861(3) . ?
Si2 C42 1.836(3) . ?
Si2 C4 1.846(3) . ?
Si2 C52 1.846(3) . ?
Si2 C3 1.869(4) . ?
N1 C11 1.414(3) . ?
N1 C21 1.421(3) . ?
N1 C31 1.440(3) . ?
N2 C41 1.417(3) . ?
N2 C51 1.418(3) . ?
N2 C33 1.439(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C11 C16 1.406(3) . ?
C11 C12 1.408(3) . ?
C12 C13 1.396(3) . ?
C13 C14 1.377(4) . ?
C13 H13 0.9400 . ?
C14 C15 1.369(4) . ?
C14 H14 0.9400 . ?
C15 C16 1.376(3) . ?
C15 H15 0.9400 . ?
C16 H16 0.9400 . ?
C21 C26 1.398(3) . ?
C21 C22 1.405(3) . ?
C22 C23 1.397(3) . ?
C23 C24 1.372(4) . ?
C23 H23 0.9400 . ?
C24 C25 1.367(4) . ?
C24 H24 0.9400 . ?
C25 C26 1.376(4) . ?
C25 H25 0.9400 . ?
C26 H26 0.9400 . ?
C31 C32 1.379(3) . ?
C31 C36 1.389(3) . ?
C32 C33 1.379(3) . ?
C32 H32 0.9400 . ?
C33 C34 1.388(3) . ?
C34 C35 1.379(3) . ?
C34 H34 0.9400 . ?
C35 C36 1.381(3) . ?
C35 H35 0.9400 . ?
C36 H36 0.9400 . ?
C41 C46 1.397(3) . ?
C41 C42 1.404(3) . ?
C42 C43 1.397(4) . ?
C43 C44 1.371(4) . ?
C43 H43 0.9400 . ?
C44 C45 1.377(4) . ?
C44 H44 0.9400 . ?
C45 C46 1.383(3) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C51 C56 1.406(3) . ?
C51 C52 1.407(3) . ?
C52 C53 1.399(3) . ?
C53 C54 1.369(4) . ?
C53 H53 0.9400 . ?
C54 C55 1.372(4) . ?
C54 H54 0.9400 . ?
C55 C56 1.381(3) . ?
C55 H55 0.9400 . ?
C56 H56 0.9400 . ?
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
C21 N1 C11 C16 -167.0(2) . . . . ?
C31 N1 C11 C16 11.8(3) . . . . ?
C21 N1 C11 C12 12.9(3) . . . . ?
C31 N1 C11 C12 -168.4(2) . . . . ?
C16 C11 C12 C13 -0.9(3) . . . . ?
N1 C11 C12 C13 179.2(2) . . . . ?
C16 C11 C12 Si1 176.06(17) . . . . ?
N1 C11 C12 Si1 -3.8(3) . . . . ?
C22 Si1 C12 C13 169.9(2) . . . . ?
C1 Si1 C12 C13 -71.9(2) . . . . ?
C2 Si1 C12 C13 49.9(3) . . . . ?
C22 Si1 C12 C11 -7.0(2) . . . . ?
C1 Si1 C12 C11 111.2(2) . . . . ?
C2 Si1 C12 C11 -126.9(2) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
Si1 C12 C13 C14 -177.3(2) . . . . ?
C12 C13 C14 C15 0.8(4) . . . . ?
C13 C14 C15 C16 -0.1(4) . . . . ?
C14 C15 C16 C11 -1.0(4) . . . . ?
C12 C11 C16 C15 1.5(4) . . . . ?
N1 C11 C16 C15 -178.6(2) . . . . ?
C11 N1 C21 C26 174.0(2) . . . . ?
C31 N1 C21 C26 -4.7(3) . . . . ?
C11 N1 C21 C22 -6.9(3) . . . . ?
C31 N1 C21 C22 174.4(2) . . . . ?
C26 C21 C22 C23 -2.9(4) . . . . ?
N1 C21 C22 C23 177.9(2) . . . . ?
C26 C21 C22 Si1 171.86(19) . . . . ?
N1 C21 C22 Si1 -7.3(3) . . . . ?
C12 Si1 C22 C23 -172.9(2) . . . . ?
C1 Si1 C22 C23 67.4(3) . . . . ?
C2 Si1 C22 C23 -54.8(3) . . . . ?
C12 Si1 C22 C21 12.4(2) . . . . ?
C1 Si1 C22 C21 -107.4(2) . . . . ?
C2 Si1 C22 C21 130.5(2) . . . . ?
C21 C22 C23 C24 0.5(5) . . . . ?
Si1 C22 C23 C24 -174.5(3) . . . . ?
C22 C23 C24 C25 1.4(5) . . . . ?
C23 C24 C25 C26 -0.9(5) . . . . ?
C24 C25 C26 C21 -1.6(5) . . . . ?
C22 C21 C26 C25 3.5(4) . . . . ?
N1 C21 C26 C25 -177.3(2) . . . . ?
C11 N1 C31 C32 71.2(3) . . . . ?
C21 N1 C31 C32 -110.0(2) . . . . ?
C11 N1 C31 C36 -106.7(2) . . . . ?
C21 N1 C31 C36 72.1(3) . . . . ?
C36 C31 C32 C33 0.5(3) . . . . ?
N1 C31 C32 C33 -177.46(19) . . . . ?
C31 C32 C33 C34 -2.8(3) . . . . ?
C31 C32 C33 N2 174.51(19) . . . . ?
C41 N2 C33 C32 -91.7(3) . . . . ?
C51 N2 C33 C32 86.7(3) . . . . ?
C41 N2 C33 C34 85.5(3) . . . . ?
C51 N2 C33 C34 -96.0(3) . . . . ?
C32 C33 C34 C35 2.0(3) . . . . ?
N2 C33 C34 C35 -175.2(2) . . . . ?
C33 C34 C35 C36 1.0(3) . . . . ?
C34 C35 C36 C31 -3.3(3) . . . . ?
C32 C31 C36 C35 2.5(3) . . . . ?
N1 C31 C36 C35 -179.6(2) . . . . ?
C51 N2 C41 C46 -175.3(2) . . . . ?
C33 N2 C41 C46 3.0(3) . . . . ?
C51 N2 C41 C42 5.4(4) . . . . ?
C33 N2 C41 C42 -176.3(2) . . . . ?
C46 C41 C42 C43 -0.5(4) . . . . ?
N2 C41 C42 C43 178.8(2) . . . . ?
C46 C41 C42 Si2 -179.14(18) . . . . ?
N2 C41 C42 Si2 0.2(3) . . . . ?
C4 Si2 C42 C43 -63.8(3) . . . . ?
C52 Si2 C42 C43 177.9(2) . . . . ?
C3 Si2 C42 C43 58.2(3) . . . . ?
C4 Si2 C42 C41 114.8(3) . . . . ?
C52 Si2 C42 C41 -3.5(2) . . . . ?
C3 Si2 C42 C41 -123.2(2) . . . . ?
C41 C42 C43 C44 -0.7(4) . . . . ?
Si2 C42 C43 C44 178.0(2) . . . . ?
C42 C43 C44 C45 0.9(5) . . . . ?
C43 C44 C45 C46 0.2(4) . . . . ?
C44 C45 C46 C41 -1.5(4) . . . . ?
C42 C41 C46 C45 1.6(4) . . . . ?
N2 C41 C46 C45 -177.8(2) . . . . ?
C41 N2 C51 C56 173.5(2) . . . . ?
C33 N2 C51 C56 -4.7(3) . . . . ?
C41 N2 C51 C52 -6.4(4) . . . . ?
C33 N2 C51 C52 175.4(2) . . . . ?
C56 C51 C52 C53 1.5(3) . . . . ?
N2 C51 C52 C53 -178.6(2) . . . . ?
C56 C51 C52 Si2 -178.28(18) . . . . ?
N2 C51 C52 Si2 1.6(3) . . . . ?
C42 Si2 C52 C53 -177.2(2) . . . . ?
C4 Si2 C52 C53 64.4(3) . . . . ?
C3 Si2 C52 C53 -58.4(2) . . . . ?
C42 Si2 C52 C51 2.6(2) . . . . ?
C4 Si2 C52 C51 -115.8(2) . . . . ?
C3 Si2 C52 C51 121.4(2) . . . . ?
C51 C52 C53 C54 -0.6(4) . . . . ?
Si2 C52 C53 C54 179.2(2) . . . . ?
C52 C53 C54 C55 -1.0(4) . . . . ?
C53 C54 C55 C56 1.8(4) . . . . ?
C54 C55 C56 C51 -1.0(4) . . . . ?
C52 C51 C56 C55 -0.8(4) . . . . ?
N2 C51 C56 C55 179.3(2) . . . . ?
