#------------------------------------------------------------------------------
#$Date: 2019-03-21 01:10:13 +0200 (Thu, 21 Mar 2019) $
#$Revision: 214227 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/31/7123158.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_7123158
loop_
_publ_author_name
'Roesky, Herbert W.'
'Sinhababu, Soumen'
'Kundu, Subrata'
'Siddiqui, Mujahuddin M.'
'Paesch, Alexander N.'
'Herbst-Irmer, Regine'
'Stalke, Dietmar'
'Frenking, Gernot'
'Saha, Pinaki'
'Zhao, Lili'
'Schwederski, Brigitte'
'Kaim, Wolfgang'
_publ_section_title
;
 Cyclic Alkyl(amino) Carbene Stabilized Biradical of Dimethylsilicon and
 Dimethylsiliconchloride Radical: Synthesized from Me2SiCl2 - an Important
 Feedstock Material
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC01448A
_journal_year                    2019
_chemical_formula_moiety         'C42 H68 N2 Si'
_chemical_formula_sum            'C42 H68 N2 Si'
_chemical_formula_weight         629.07
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-01-29 deposited with the CCDC.    2019-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.62(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.167(3)
_cell_length_b                   9.999(2)
_cell_length_c                   22.554(3)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.255
_cell_volume                     7638(2)
_computing_cell_refinement       'SAINT V8.30C'
_computing_data_collection       'APEX2 v2012.2'
_computing_data_reduction        'SAINT V8.30C'
_computing_molecular_graphics    'XP Version 5.1'
_computing_publication_material  'XP Version 5.1'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            90538
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.369
_diffrn_reflns_theta_min         1.202
_diffrn_source                   'INCOATEC Microsource'
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_description       plate
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.197
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.052
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6994
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0350P)²+8.2606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0863
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6199
_reflns_number_total             6994
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc01448a2.cif
_cod_data_source_block           sad_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (4
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (6
times).

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7123158
_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.
;
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
Si1 Si 0.36988(2) 0.21612(3) 0.40116(2) 0.01346(9) Uani 1 1 d . .
N1 N 0.38320(3) 0.46382(10) 0.33887(5) 0.0149(2) Uani 1 1 d . .
C3 C 0.44016(3) 0.40095(13) 0.41876(6) 0.0169(3) Uani 1 1 d . .
C2 C 0.39830(3) 0.36058(12) 0.38094(5) 0.0148(2) Uani 1 1 d . .
C4 C 0.44867(4) 0.52715(13) 0.38528(6) 0.0180(3) Uani 1 1 d . .
H4A H 0.464394 0.591860 0.415252 0.022 Uiso 1 1 calc R U
H4B H 0.463707 0.503464 0.355442 0.022 Uiso 1 1 calc R U
C5 C 0.40863(4) 0.58811(13) 0.35172(6) 0.0174(3) Uani 1 1 d . .
C8 C 0.41077(4) 0.66128(14) 0.29346(6) 0.0225(3) Uani 1 1 d . .
H8A H 0.429088 0.736790 0.304464 0.034 Uiso 1 1 calc R U
H8B H 0.384478 0.694432 0.271787 0.034 Uiso 1 1 calc R U
H8C H 0.420132 0.599703 0.266643 0.034 Uiso 1 1 calc R U
C7 C 0.44233(4) 0.42834(14) 0.48657(6) 0.0207(3) Uani 1 1 d . .
H7A H 0.469638 0.448901 0.509122 0.031 Uiso 1 1 calc R U
H7B H 0.433390 0.349100 0.504588 0.031 Uiso 1 1 calc R U
H7C H 0.425337 0.504500 0.489290 0.031 Uiso 1 1 calc R U
C6 C 0.47164(4) 0.29480(13) 0.41734(6) 0.0219(3) Uani 1 1 d . .
H6A H 0.466311 0.213279 0.437859 0.033 Uiso 1 1 calc R U
H6B H 0.497832 0.329209 0.438737 0.033 Uiso 1 1 calc R U
H6C H 0.470806 0.274361 0.374510 0.033 Uiso 1 1 calc R U
C9 C 0.39467(4) 0.68686(13) 0.39371(6) 0.0201(3) Uani 1 1 d . .
H9A H 0.416056 0.749420 0.412014 0.030 Uiso 1 1 calc R U
H9B H 0.387295 0.637402 0.426454 0.030 Uiso 1 1 calc R U
H9C H 0.371747 0.736711 0.369417 0.030 Uiso 1 1 calc R U
C10 C 0.35817(4) 0.43855(12) 0.27762(5) 0.0160(3) Uani 1 1 d . .
C11 C 0.32191(4) 0.50737(13) 0.25630(6) 0.0178(3) Uani 1 1 d . .
C12 C 0.29878(4) 0.48335(14) 0.19653(6) 0.0223(3) Uani 1 1 d . .
H12 H 0.274600 0.530364 0.181717 0.027 Uiso 1 1 calc R U
C13 C 0.31020(4) 0.39287(14) 0.15842(6) 0.0234(3) Uani 1 1 d . .
H13 H 0.293833 0.376974 0.118079 0.028 Uiso 1 1 calc R U
C14 C 0.34552(4) 0.32568(14) 0.17928(6) 0.0216(3) Uani 1 1 d . .
H14 H 0.353217 0.263520 0.152833 0.026 Uiso 1 1 calc R U
C15 C 0.37023(4) 0.34668(13) 0.23823(6) 0.0189(3) Uani 1 1 d . .
C16 C 0.30524(4) 0.60292(13) 0.29566(6) 0.0197(3) Uani 1 1 d . .
H16 H 0.324005 0.605137 0.337758 0.024 Uiso 1 1 calc R U
C17 C 0.26492(4) 0.55484(15) 0.30197(6) 0.0249(3) Uani 1 1 d . .
H17A H 0.256682 0.611324 0.331794 0.037 Uiso 1 1 calc R U
H17B H 0.267118 0.461854 0.316226 0.037 Uiso 1 1 calc R U
H17C H 0.245299 0.560733 0.261904 0.037 Uiso 1 1 calc R U
C19 C 0.40905(4) 0.27027(15) 0.25593(6) 0.0274(3) Uani 1 1 d . .
H19 H 0.419770 0.276280 0.301661 0.033 Uiso 1 1 calc R U
C20 C 0.40424(5) 0.12177(16) 0.23886(7) 0.0357(4) Uani 1 1 d . .
H20A H 0.382892 0.083637 0.253866 0.054 Uiso 1 1 calc R U
H20B H 0.428935 0.074467 0.257780 0.054 Uiso 1 1 calc R U
H20C H 0.397815 0.112190 0.194008 0.054 Uiso 1 1 calc R U
C1B C 0.32540(4) 0.18644(13) 0.33438(6) 0.0196(3) Uani 1 1 d . .
H1BA H 0.311542 0.271222 0.322074 0.029 Uiso 1 1 calc R U
H1BB H 0.307634 0.123002 0.346553 0.029 Uiso 1 1 calc R U
H1BC H 0.333839 0.149615 0.299701 0.029 Uiso 1 1 calc R U
N1A N 0.37229(3) 0.18780(10) 0.53254(5) 0.0147(2) Uani 1 1 d . .
C21 C 0.43966(4) 0.33184(18) 0.22698(8) 0.0388(4) Uani 1 1 d . .
H21A H 0.463826 0.277978 0.237921 0.058 Uiso 1 1 calc R U
H21B H 0.445670 0.423212 0.242366 0.058 Uiso 1 1 calc R U
H21C H 0.429072 0.333748 0.182103 0.058 Uiso 1 1 calc R U
C2B C 0.40126(4) 0.06197(13) 0.40867(6) 0.0188(3) Uani 1 1 d . .
H2BA H 0.384963 -0.017276 0.409212 0.028 Uiso 1 1 calc R U
H2BB H 0.422492 0.066258 0.447044 0.028 Uiso 1 1 calc R U
H2BC H 0.412727 0.056427 0.373657 0.028 Uiso 1 1 calc R U
C3A C 0.32069(4) 0.33411(13) 0.47848(6) 0.0173(3) Uani 1 1 d . .
C4A C 0.31994(4) 0.32041(13) 0.54609(6) 0.0204(3) Uani 1 1 d . .
H4AA H 0.315193 0.408613 0.562722 0.024 Uiso 1 1 calc R U
H4AB H 0.298577 0.258756 0.549390 0.024 Uiso 1 1 calc R U
C5A C 0.36016(4) 0.26510(13) 0.58220(6) 0.0184(3) Uani 1 1 d . .
C6A C 0.27949(4) 0.29897(14) 0.43630(6) 0.0214(3) Uani 1 1 d . .
H6AA H 0.259704 0.358636 0.445460 0.032 Uiso 1 1 calc R U
H6AB H 0.273069 0.206069 0.443522 0.032 Uiso 1 1 calc R U
H6AC H 0.279570 0.309918 0.393151 0.032 Uiso 1 1 calc R U
C7A C 0.32989(4) 0.47815(13) 0.46303(6) 0.0222(3) Uani 1 1 d . .
H7AA H 0.354854 0.506920 0.491403 0.033 Uiso 1 1 calc R U
H7AB H 0.308587 0.537541 0.467159 0.033 Uiso 1 1 calc R U
H7AC H 0.332106 0.481848 0.420662 0.033 Uiso 1 1 calc R U
C8A C 0.35574(4) 0.17602(14) 0.63494(6) 0.0236(3) Uani 1 1 d . .
H8AA H 0.345261 0.228942 0.663557 0.035 Uiso 1 1 calc R U
H8AB H 0.381570 0.139428 0.656735 0.035 Uiso 1 1 calc R U
H8AC H 0.337538 0.102533 0.618367 0.035 Uiso 1 1 calc R U
C9A C 0.38927(4) 0.37851(13) 0.60866(6) 0.0219(3) Uani 1 1 d . .
H9AA H 0.413958 0.340426 0.634161 0.033 Uiso 1 1 calc R U
H9AB H 0.377739 0.437554 0.633869 0.033 Uiso 1 1 calc R U
H9AC H 0.394692 0.429890 0.574842 0.033 Uiso 1 1 calc R U
C10A C 0.38632(4) 0.05161(12) 0.54389(5) 0.0147(2) Uani 1 1 d . .
C11A C 0.42632(4) 0.02506(13) 0.57431(5) 0.0164(3) Uani 1 1 d . .
C12A C 0.43902(4) -0.10737(13) 0.58326(6) 0.0198(3) Uani 1 1 d . .
H12A H 0.465883 -0.125188 0.603720 0.024 Uiso 1 1 calc R U
C13A C 0.41366(4) -0.21318(13) 0.56323(6) 0.0212(3) Uani 1 1 d . .
H13A H 0.423098 -0.302595 0.568499 0.025 Uiso 1 1 calc R U
C14A C 0.37429(4) -0.18715(13) 0.53538(6) 0.0194(3) Uani 1 1 d . .
H14A H 0.356633 -0.259886 0.522340 0.023 Uiso 1 1 calc R U
C15A C 0.35985(4) -0.05691(13) 0.52594(5) 0.0166(3) Uani 1 1 d . .
C16A C 0.45718(4) 0.13335(13) 0.59760(6) 0.0190(3) Uani 1 1 d . .
H16A H 0.445027 0.221743 0.582652 0.023 Uiso 1 1 calc R U
C17A C 0.49346(4) 0.11395(14) 0.57312(6) 0.0247(3) Uani 1 1 d . .
H17D H 0.508097 0.034631 0.592245 0.037 Uiso 1 1 calc R U
H17E H 0.510540 0.192818 0.583119 0.037 Uiso 1 1 calc R U
H17F H 0.484947 0.102014 0.528361 0.037 Uiso 1 1 calc R U
C18A C 0.47067(4) 0.13724(15) 0.66835(6) 0.0276(3) Uani 1 1 d . .
H18A H 0.483632 0.052631 0.683901 0.041 Uiso 1 1 calc R U
H18B H 0.447696 0.150374 0.684464 0.041 Uiso 1 1 calc R U
H18C H 0.489289 0.211203 0.681766 0.041 Uiso 1 1 calc R U
C19A C 0.31566(4) -0.04123(13) 0.49735(6) 0.0213(3) Uani 1 1 d . .
H19A H 0.309369 0.056486 0.494679 0.026 Uiso 1 1 calc R U
C20A C 0.30320(4) -0.09916(15) 0.43208(6) 0.0289(3) Uani 1 1 d . .
H20D H 0.306497 -0.196523 0.433999 0.043 Uiso 1 1 calc R U
H20E H 0.319694 -0.060752 0.407619 0.043 Uiso 1 1 calc R U
H20F H 0.275452 -0.077255 0.412869 0.043 Uiso 1 1 calc R U
C21A C 0.29139(4) -0.10787(14) 0.53658(7) 0.0275(3) Uani 1 1 d . .
H21D H 0.299568 -0.072002 0.578541 0.041 Uiso 1 1 calc R U
H21E H 0.295856 -0.204695 0.537703 0.041 Uiso 1 1 calc R U
H21F H 0.263283 -0.089419 0.518518 0.041 Uiso 1 1 calc R U
C2A C 0.35270(3) 0.23358(12) 0.47297(5) 0.0145(2) Uani 1 1 d . .
C18 C 0.30076(4) 0.74636(14) 0.27032(6) 0.0255(3) Uani 1 1 d . .
H18D H 0.326676 0.780762 0.269322 0.038 Uiso 1 1 calc R U
H18E H 0.289738 0.803390 0.296912 0.038 Uiso 1 1 calc R U
H18F H 0.283010 0.746438 0.228550 0.038 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_publ_flag
C2B Si1 C1B 106.55(6) y
C2B Si1 C2 108.33(6) y
C1B Si1 C2 107.98(6) y
C2B Si1 C2A 108.40(6) y
C1B Si1 C2A 108.27(6) y
C2 Si1 C2A 116.86(5) y
C2 N1 C10 122.58(10) ?
C2 N1 C5 112.18(9) ?
C10 N1 C5 120.19(9) ?
C7 C3 C6 107.49(10) ?
C7 C3 C4 112.21(10) ?
C6 C3 C4 108.57(10) ?
C7 C3 C2 112.43(10) ?
C6 C3 C2 113.09(10) ?
C4 C3 C2 103.04(10) ?
N1 C2 C3 108.17(10) ?
N1 C2 Si1 126.77(8) ?
C3 C2 Si1 123.84(9) ?
C5 C4 C3 107.07(10) ?
N1 C5 C8 113.16(10) ?
N1 C5 C4 100.65(9) ?
C8 C5 C4 111.36(10) ?
N1 C5 C9 112.05(10) ?
C8 C5 C9 108.73(11) ?
C4 C5 C9 110.74(10) ?
C11 C10 C15 119.73(11) ?
C11 C10 N1 120.06(11) ?
C15 C10 N1 120.20(11) ?
C12 C11 C10 118.85(12) ?
C12 C11 C16 117.06(11) ?
C10 C11 C16 124.03(11) ?
C13 C12 C11 121.52(12) ?
C14 C13 C12 119.57(12) ?
C13 C14 C15 121.66(13) ?
C14 C15 C10 118.65(12) ?
C14 C15 C19 117.36(12) ?
C10 C15 C19 123.99(11) ?
C11 C16 C18 112.66(11) ?
C11 C16 C17 111.48(11) ?
C18 C16 C17 108.73(11) ?
C15 C19 C21 111.75(12) ?
C15 C19 C20 112.97(12) ?
C21 C19 C20 108.99(12) ?
C2A N1A C10A 121.97(10) ?
C2A N1A C5A 112.10(10) ?
C10A N1A C5A 120.00(10) ?
C7A C3A C4A 111.66(11) ?
C7A C3A C2A 113.00(10) ?
C4A C3A C2A 103.29(10) ?
C7A C3A C6A 107.07(10) ?
C4A C3A C6A 109.07(10) ?
C2A C3A C6A 112.77(10) ?
C5A C4A C3A 107.40(10) ?
N1A C5A C8A 112.75(10) ?
N1A C5A C4A 101.22(10) ?
C8A C5A C4A 110.56(11) ?
N1A C5A C9A 111.92(10) ?
C8A C5A C9A 108.96(11) ?
C4A C5A C9A 111.29(11) ?
C11A C10A C15A 119.10(11) ?
C11A C10A N1A 120.63(11) ?
C15A C10A N1A 120.25(10) ?
C12A C11A C10A 119.09(11) ?
C12A C11A C16A 117.04(11) ?
C10A C11A C16A 123.87(11) ?
C13A C12A C11A 121.83(12) ?
C12A C13A C14A 118.99(12) ?
C13A C14A C15A 121.64(12) ?
C14A C15A C10A 119.23(11) ?
C14A C15A C19A 116.71(11) ?
C10A C15A C19A 124.05(11) ?
C11A C16A C17A 111.76(11) ?
C11A C16A C18A 111.60(11) ?
C17A C16A C18A 108.83(11) ?
C15A C19A C20A 111.31(11) ?
C15A C19A C21A 111.92(11) ?
C20A C19A C21A 109.26(11) ?
N1A C2A C3A 108.39(10) ?
N1A C2A Si1 126.97(9) ?
C3A C2A Si1 122.75(9) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Si1 C2B 1.8768(13) y
Si1 C1B 1.8800(13) y
Si1 C2 1.8814(13) y
Si1 C2A 1.8829(13) y
N1 C2 1.4059(16) ?
N1 C10 1.4464(15) ?
N1 C5 1.5126(15) ?
C3 C7 1.5352(17) ?
C3 C6 1.5403(17) ?
C3 C4 1.5409(17) ?
C3 C2 1.5430(16) ?
C4 C5 1.5341(17) ?
C5 C8 1.5235(18) ?
C5 C9 1.5373(18) ?
C10 C11 1.4144(17) ?
C10 C15 1.4199(18) ?
C11 C12 1.3951(18) ?
C11 C16 1.5247(18) ?
C12 C13 1.380(2) ?
C13 C14 1.3786(19) ?
C14 C15 1.3945(18) ?
C15 C19 1.5210(18) ?
C16 C18 1.5363(18) ?
C16 C17 1.5397(18) ?
C19 C21 1.530(2) ?
C19 C20 1.532(2) ?
N1A C2A 1.4109(15) ?
N1A C10A 1.4475(16) ?
N1A C5A 1.5137(15) ?
C3A C7A 1.5366(18) ?
C3A C4A 1.5385(18) ?
C3A C2A 1.5389(17) ?
C3A C6A 1.5444(17) ?
C4A C5A 1.5328(18) ?
C5A C8A 1.5271(18) ?
C5A C9A 1.5367(18) ?
C10A C11A 1.4143(17) ?
C10A C15A 1.4159(17) ?
C11A C12A 1.3947(18) ?
C11A C16A 1.5228(17) ?
C12A C13A 1.3791(19) ?
C13A C14A 1.3824(18) ?
C14A C15A 1.3931(18) ?
C15A C19A 1.5219(17) ?
C16A C17A 1.5329(18) ?
C16A C18A 1.5378(18) ?
C19A C20A 1.5320(19) ?
C19A C21A 1.5368(19) ?
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
C10 N1 C2 C3 144.34(11)
C5 N1 C2 C3 -10.48(13)
C10 N1 C2 Si1 -48.03(16)
C5 N1 C2 Si1 157.15(9)
C7 C3 C2 N1 112.13(11)
C6 C3 C2 N1 -125.90(11)
C4 C3 C2 N1 -8.89(12)
C7 C3 C2 Si1 -55.95(14)
C6 C3 C2 Si1 66.02(13)
C4 C3 C2 Si1 -176.98(9)
C2B Si1 C2 N1 139.91(10)
C1B Si1 C2 N1 24.89(12)
C2A Si1 C2 N1 -97.37(11)
C2B Si1 C2 C3 -54.27(11)
C1B Si1 C2 C3 -169.29(10)
C2A Si1 C2 C3 68.45(11)
C7 C3 C4 C5 -96.65(12)
C6 C3 C4 C5 144.69(10)
C2 C3 C4 C5 24.52(12)
C2 N1 C5 C8 144.01(11)
C10 N1 C5 C8 -11.49(15)
C2 N1 C5 C4 25.09(12)
C10 N1 C5 C4 -130.41(11)
C2 N1 C5 C9 -92.62(12)
C10 N1 C5 C9 111.88(12)
C3 C4 C5 N1 -29.71(12)
C3 C4 C5 C8 -149.93(11)
C3 C4 C5 C9 88.96(12)
C2 N1 C10 C11 129.01(12)
C5 N1 C10 C11 -78.10(15)
C2 N1 C10 C15 -52.27(16)
C5 N1 C10 C15 100.62(14)
C15 C10 C11 C12 -0.19(18)
N1 C10 C11 C12 178.53(11)
C15 C10 C11 C16 176.97(12)
N1 C10 C11 C16 -4.30(18)
C10 C11 C12 C13 1.0(2)
C16 C11 C12 C13 -176.34(12)
C11 C12 C13 C14 -0.9(2)
C12 C13 C14 C15 0.0(2)
C13 C14 C15 C10 0.8(2)
C13 C14 C15 C19 -178.31(13)
C11 C10 C15 C14 -0.69(18)
N1 C10 C15 C14 -179.42(11)
C11 C10 C15 C19 178.36(12)
N1 C10 C15 C19 -0.37(19)
C12 C11 C16 C18 -64.89(15)
C10 C11 C16 C18 117.90(13)
C12 C11 C16 C17 57.68(15)
C10 C11 C16 C17 -119.53(13)
C14 C15 C19 C21 76.88(16)
C10 C15 C19 C21 -102.18(15)
C14 C15 C19 C20 -46.47(17)
C10 C15 C19 C20 134.47(13)
C7A C3A C4A C5A -98.28(12)
C2A C3A C4A C5A 23.44(13)
C6A C3A C4A C5A 143.60(11)
C2A N1A C5A C8A 140.51(11)
C10A N1A C5A C8A -12.93(15)
C2A N1A C5A C4A 22.37(12)
C10A N1A C5A C4A -131.06(11)
C2A N1A C5A C9A -96.23(12)
C10A N1A C5A C9A 110.33(12)
C3A C4A C5A N1A -27.56(12)
C3A C4A C5A C8A -147.27(11)
C3A C4A C5A C9A 91.50(12)
C2A N1A C10A C11A 125.12(12)
C5A N1A C10A C11A -84.12(14)
C2A N1A C10A C15A -56.44(16)
C5A N1A C10A C15A 94.32(13)
C15A C10A C11A C12A 2.96(17)
N1A C10A C11A C12A -178.58(11)
C15A C10A C11A C16A -177.94(11)
N1A C10A C11A C16A 0.51(18)
C10A C11A C12A C13A 0.04(19)
C16A C11A C12A C13A -179.11(12)
C11A C12A C13A C14A -2.2(2)
C12A C13A C14A C15A 1.4(2)
C13A C14A C15A C10A 1.64(19)
C13A C14A C15A C19A -177.42(12)
C11A C10A C15A C14A -3.78(17)
N1A C10A C15A C14A 177.76(11)
C11A C10A C15A C19A 175.21(11)
N1A C10A C15A C19A -3.25(18)
C12A C11A C16A C17A 52.68(15)
C10A C11A C16A C17A -126.44(13)
C12A C11A C16A C18A -69.45(15)
C10A C11A C16A C18A 111.44(14)
C14A C15A C19A C20A -63.46(15)
C10A C15A C19A C20A 117.53(13)
C14A C15A C19A C21A 59.14(15)
C10A C15A C19A C21A -119.88(13)
C10A N1A C2A C3A 144.47(10)
C5A N1A C2A C3A -8.36(13)
C10A N1A C2A Si1 -50.99(15)
C5A N1A C2A Si1 156.18(9)
C7A C3A C2A N1A 111.36(12)
C4A C3A C2A N1A -9.46(12)
C6A C3A C2A N1A -127.05(11)
C7A C3A C2A Si1 -53.97(14)
C4A C3A C2A Si1 -174.79(8)
C6A C3A C2A Si1 67.62(13)
C2B Si1 C2A N1A 28.40(12)
C1B Si1 C2A N1A 143.61(10)
C2 Si1 C2A N1A -94.28(11)
C2B Si1 C2A C3A -169.10(9)
C1B Si1 C2A C3A -53.90(11)
C2 Si1 C2A C3A 68.22(11)
