#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:53:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178539 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/45/4064597.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_4064597
loop_
_publ_author_name
'Khan, Shabana'
'Sen, Sakya S.'
'Michel, Reent'
'Kratzert, Daniel'
'Roesky, Herbert W.'
'Stalke, Dietmar'
_publ_section_title
;
 Formation of a Unsymmetrical Ring System via C--H Bond Activation of
 Diazobenzene by Stable N-Heterocyclic Chlorosilylene (PhC(NtBu)2SiCl)
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2643
_journal_paper_doi               10.1021/om200207v
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C42 H55 Cl N6 Si2, C7 H8'
_chemical_formula_sum            'C49 H63 Cl N6 Si2'
_chemical_formula_weight         827.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.310(2)
_cell_angle_beta                 97.304(2)
_cell_angle_gamma                108.196(2)
_cell_formula_units_Z            1
_cell_length_a                   9.3427(11)
_cell_length_b                   10.7563(13)
_cell_length_c                   12.2182(15)
_cell_measurement_reflns_used    9210
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.392
_cell_measurement_theta_min      2.324
_cell_volume                     1148.4(2)
_computing_cell_refinement       'SAINT V7.68A'
_computing_data_collection       'APEX2 v2010.7-0'
_computing_data_reduction        'SAINT V7.68A'
_computing_molecular_graphics    'XP in SHELXTL Version 2008/3'
_computing_publication_material  'XP in SHELXTL Version 2008/3'
_computing_structure_refinement  'SHELXL in SHELXTL Version 2008/3'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/3'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex II with D8-Goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'INCOATEC Quazar mirror optics'
_diffrn_radiation_source         'INCOATEC Mo Microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27534
_diffrn_reflns_theta_full        26.47
_diffrn_reflns_theta_max         26.47
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.176
_exptl_absorpt_correction_T_max  0.98392
_exptl_absorpt_correction_T_min  0.89511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         4737
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0150P)²+2.3944P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1357
_reflns_number_gt                4419
_reflns_number_total             4737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200207v_si_001.cif
_cod_data_source_block           p-1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064597
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6582(3) 0.1212(3) 0.2651(2) 0.0189(5) Uani 1 1 d . . .
C2 C 0.7865(3) 0.1767(3) 0.3467(2) 0.0241(6) Uani 1 1 d . . .
H2 H 0.8282 0.2697 0.3646 0.029 Uiso 1 1 calc R . .
C3 C 0.8527(3) 0.0946(3) 0.4016(2) 0.0310(7) Uani 1 1 d . . .
H3 H 0.9382 0.1318 0.4588 0.037 Uiso 1 1 calc R . .
C4 C 0.7952(4) -0.0406(3) 0.3736(3) 0.0344(7) Uani 1 1 d . . .
H4 H 0.8423 -0.0957 0.4107 0.041 Uiso 1 1 calc R . .
C5 C 0.6690(4) -0.0959(3) 0.2916(3) 0.0303(6) Uani 1 1 d . . .
H5 H 0.6301 -0.1888 0.2719 0.036 Uiso 1 1 calc R . .
C6 C 0.5997(3) -0.0155(3) 0.2382(2) 0.0228(6) Uani 1 1 d . . .
H6 H 0.5119 -0.0536 0.1831 0.027 Uiso 1 1 calc R . .
C7 C 0.5835(3) 0.2087(2) 0.2094(2) 0.0162(5) Uani 1 1 d . . .
C8 C 0.7582(3) 0.2820(2) 0.0651(2) 0.0171(5) Uani 1 1 d . . .
C9 C 0.7442(3) 0.1375(3) 0.0345(2) 0.0233(6) Uani 1 1 d . . .
H9A H 0.7797 0.1024 0.1005 0.035 Uiso 1 1 calc R . .
H9B H 0.8067 0.1316 -0.0231 0.035 Uiso 1 1 calc R . .
H9C H 0.6373 0.0863 0.0063 0.035 Uiso 1 1 calc R . .
C10 C 0.9205(3) 0.3579(3) 0.1237(2) 0.0266(6) Uani 1 1 d . . .
H10A H 0.9326 0.4519 0.1370 0.040 Uiso 1 1 calc R . .
H10B H 0.9938 0.3459 0.0767 0.040 Uiso 1 1 calc R . .
H10C H 0.9390 0.3247 0.1948 0.040 Uiso 1 1 calc R . .
C11 C 0.7278(3) 0.3389(3) -0.0434(2) 0.0252(6) Uani 1 1 d . . .
H11A H 0.6206 0.2977 -0.0770 0.038 Uiso 1 1 calc R . .
H11B H 0.7933 0.3210 -0.0950 0.038 Uiso 1 1 calc R . .
H11C H 0.7503 0.4343 -0.0278 0.038 Uiso 1 1 calc R . .
C12 C 0.3638(3) 0.1828(3) 0.3162(2) 0.0239(6) Uani 1 1 d . . .
C13 C 0.2990(4) 0.0325(3) 0.3117(3) 0.0328(7) Uani 1 1 d . . .
H13A H 0.2522 -0.0063 0.2353 0.049 Uiso 1 1 calc R . .
H13B H 0.2217 0.0098 0.3607 0.049 Uiso 1 1 calc R . .
H13C H 0.3815 -0.0021 0.3363 0.049 Uiso 1 1 calc R . .
C14 C 0.4601(4) 0.2425(3) 0.4296(2) 0.0373(7) Uani 1 1 d . . .
H14A H 0.5432 0.2054 0.4427 0.056 Uiso 1 1 calc R . .
H14B H 0.3960 0.2222 0.4877 0.056 Uiso 1 1 calc R . .
H14C H 0.5029 0.3384 0.4312 0.056 Uiso 1 1 calc R . .
C15 C 0.2285(4) 0.2348(3) 0.2989(3) 0.0363(7) Uani 1 1 d . . .
H15A H 0.2664 0.3310 0.3010 0.054 Uiso 1 1 calc R . .
H15B H 0.1667 0.2112 0.3579 0.054 Uiso 1 1 calc R . .
H15C H 0.1658 0.1956 0.2265 0.054 Uiso 1 1 calc R . .
C16 C 0.3259(3) 0.2981(2) 0.0215(2) 0.0168(5) Uani 1 1 d . . .
N1 N 0.4530(2) 0.2230(2) 0.22507(18) 0.0187(4) Uani 1 1 d . . .
N2 N 0.6442(2) 0.2945(2) 0.13802(17) 0.0152(4) Uani 1 1 d . . .
Si1 Si 0.49402(7) 0.36965(6) 0.13230(6) 0.01468(16) Uani 1 1 d . . .
H1 H 0.509(7) 0.438(7) 0.242(5) 0.018 Uiso 0.499(4) 1 d P . .
Cl1 Cl 0.51464(15) 0.50661(13) 0.27568(11) 0.0227(5) Uani 0.501(4) 1 d P . .
N3 N 0.5505(2) 0.5051(2) 0.05030(17) 0.0172(4) Uani 1 1 d . . .
C17 C 0.2103(3) 0.1758(2) 0.0070(2) 0.0186(5) Uani 1 1 d . . .
H17 H 0.2101 0.1169 0.0612 0.022 Uiso 1 1 calc R . .
C18 C 0.0968(3) 0.1390(2) -0.0842(2) 0.0218(5) Uani 1 1 d . . .
H18 H 0.0206 0.0547 -0.0935 0.026 Uiso 1 1 calc R . .
C19 C 0.6723(3) 0.6192(2) 0.0628(2) 0.0177(5) Uani 1 1 d . . .
C20 C 0.7912(3) 0.6536(2) 0.1534(2) 0.0223(6) Uani 1 1 d . . .
H20 H 0.7933 0.5949 0.2075 0.027 Uiso 1 1 calc R . .
C21 C 0.9057(3) 0.7740(3) 0.1630(2) 0.0237(6) Uani 1 1 d . . .
H21 H 0.9870 0.7977 0.2239 0.028 Uiso 1 1 calc R . .
C100 C 0.756(3) 0.410(2) 0.6499(17) 0.048(3) Uani 0.194(8) 1 d PDU A -1
H10D H 0.6719 0.4436 0.6276 0.073 Uiso 0.194(8) 1 calc PR A -1
H10E H 0.8023 0.4460 0.7270 0.073 Uiso 0.194(8) 1 calc PR A -1
H10F H 0.7174 0.3137 0.6437 0.073 Uiso 0.194(8) 1 calc PR A -1
C101 C 0.872(3) 0.4512(18) 0.5770(16) 0.035(3) Uani 0.194(8) 1 d PDU A -1
C102 C 0.858(4) 0.527(4) 0.489(3) 0.040(3) Uani 0.194(8) 1 d PDU A -1
H102 H 0.7714 0.5546 0.4753 0.048 Uiso 0.194(8) 1 calc PR A -1
C103 C 0.972(5) 0.561(5) 0.423(3) 0.048(4) Uani 0.194(8) 1 d PDU A -1
H103 H 0.9621 0.6129 0.3647 0.058 Uiso 0.194(8) 1 calc PR A -1
C104 C 1.097(4) 0.521(4) 0.442(3) 0.052(5) Uani 0.194(8) 1 d PDU A -1
H104 H 1.1719 0.5421 0.3942 0.062 Uiso 0.194(8) 1 calc PR A -1
C105 C 1.113(3) 0.452(4) 0.528(3) 0.051(5) Uani 0.194(8) 1 d PDU A -1
H105 H 1.2039 0.4296 0.5433 0.061 Uiso 0.194(8) 1 calc PR A -1
C106 C 1.003(4) 0.413(3) 0.596(2) 0.041(4) Uani 0.194(8) 1 d PDU A -1
H106 H 1.0148 0.3608 0.6537 0.049 Uiso 0.194(8) 1 calc PR A -1
C200 C 0.8155(18) 0.3729(13) 0.6502(11) 0.048(3) Uani 0.306(8) 1 d PDU A -2
H20A H 0.7188 0.3911 0.6478 0.073 Uiso 0.306(8) 1 calc PR A -2
H20B H 0.8752 0.4020 0.7249 0.073 Uiso 0.306(8) 1 calc PR A -2
H20C H 0.7948 0.2779 0.6321 0.073 Uiso 0.306(8) 1 calc PR A -2
C201 C 0.902(2) 0.4440(17) 0.5690(15) 0.035(3) Uani 0.306(8) 1 d PDU A -2
C202 C 0.851(3) 0.530(3) 0.504(2) 0.040(3) Uani 0.306(8) 1 d PDU A -2
H202 H 0.7575 0.5439 0.5126 0.048 Uiso 0.306(8) 1 calc PR A -2
C203 C 0.937(4) 0.593(3) 0.428(2) 0.048(4) Uani 0.306(8) 1 d PDU A -2
H203 H 0.9028 0.6501 0.3843 0.058 Uiso 0.306(8) 1 calc PR A -2
C204 C 1.072(3) 0.573(3) 0.415(2) 0.052(5) Uani 0.306(8) 1 d PDU A -2
H204 H 1.1292 0.6156 0.3621 0.062 Uiso 0.306(8) 1 calc PR A -2
C205 C 1.125(3) 0.492(3) 0.478(2) 0.051(5) Uani 0.306(8) 1 d PDU A -2
H205 H 1.2187 0.4799 0.4683 0.061 Uiso 0.306(8) 1 calc PR A -2
C206 C 1.043(3) 0.428(3) 0.557(2) 0.041(4) Uani 0.306(8) 1 d PDU A -2
H206 H 1.0827 0.3741 0.6017 0.049 Uiso 0.306(8) 1 calc PR A -2
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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C6 119.7(2) . .
C2 C1 C7 119.5(2) . .
C6 C1 C7 120.9(2) . .
C3 C2 C1 119.5(3) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 120.5(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 120.2(3) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 119.9(3) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C1 120.3(3) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
N1 C7 N2 107.8(2) . .
N1 C7 C1 126.5(2) . .
N2 C7 C1 125.6(2) . .
N2 C8 C10 110.3(2) . .
N2 C8 C9 111.5(2) . .
C10 C8 C9 109.3(2) . .
N2 C8 C11 109.2(2) . .
C10 C8 C11 109.1(2) . .
C9 C8 C11 107.4(2) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N1 C12 C14 111.0(2) . .
N1 C12 C15 106.7(2) . .
C14 C12 C15 109.4(3) . .
N1 C12 C13 112.0(2) . .
C14 C12 C13 110.0(3) . .
C15 C12 C13 107.6(2) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C19 118.1(2) . 2_665
C17 C16 Si1 130.3(2) . .
C19 C16 Si1 111.38(17) 2_665 .
C7 N1 C12 129.0(2) . .
C7 N1 Si1 88.81(15) . .
C12 N1 Si1 136.81(18) . .
C7 N2 C8 126.2(2) . .
C7 N2 Si1 94.14(15) . .
C8 N2 Si1 135.86(16) . .
N3 Si1 N2 105.96(10) . .
N3 Si1 C16 86.10(10) . .
N2 Si1 C16 117.48(10) . .
N3 Si1 N1 174.55(10) . .
N2 Si1 N1 69.06(9) . .
C16 Si1 N1 98.12(10) . .
N3 Si1 Cl1 90.17(8) . .
N2 Si1 Cl1 114.27(8) . .
C16 Si1 Cl1 127.06(9) . .
N1 Si1 Cl1 90.02(8) . .
N3 Si1 H1 102(3) . .
N2 Si1 H1 107(2) . .
C16 Si1 H1 131(2) . .
N1 Si1 H1 78(3) . .
Cl1 Si1 H1 13(3) . .
Si1 Cl1 H1 23(4) . .
C19 N3 N3 110.5(2) . 2_665
C19 N3 Si1 134.02(18) . .
N3 N3 Si1 115.5(2) 2_665 .
C18 C17 C16 121.4(2) . .
C18 C17 H17 119.3 . .
C16 C17 H17 119.3 . .
C17 C18 C21 119.7(2) . 2_665
C17 C18 H18 120.2 . .
C21 C18 H18 120.2 2_665 .
N3 C19 C20 122.8(2) . .
N3 C19 C16 116.5(2) . 2_665
C20 C19 C16 120.6(2) . 2_665
C21 C20 C19 119.2(2) . .
C21 C20 H20 120.4 . .
C19 C20 H20 120.4 . .
C20 C21 C18 120.8(2) . 2_665
C20 C21 H21 119.6 . .
C18 C21 H21 119.6 2_665 .
C101 C100 H10D 109.5 . .
C101 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
C101 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
C106 C101 C102 118.3(15) . .
C106 C101 C100 118.1(16) . .
C102 C101 C100 123.6(15) . .
C103 C102 C101 120.4(14) . .
C103 C102 H102 119.8 . .
C101 C102 H102 119.8 . .
C104 C103 C102 120.6(16) . .
C104 C103 H103 119.7 . .
C102 C103 H103 119.7 . .
C105 C104 C103 120(2) . .
C105 C104 H104 120.2 . .
C103 C104 H104 120.2 . .
C104 C105 C106 122.4(18) . .
C104 C105 H105 118.8 . .
C106 C105 H105 118.8 . .
C105 C106 C101 118.7(15) . .
C105 C106 H106 120.6 . .
C101 C106 H106 120.6 . .
C201 C200 H20A 109.5 . .
C201 C200 H20B 109.5 . .
H20A C200 H20B 109.5 . .
C201 C200 H20C 109.5 . .
H20A C200 H20C 109.5 . .
H20B C200 H20C 109.5 . .
C206 C201 C202 118.6(14) . .
C206 C201 C200 118.6(13) . .
C202 C201 C200 122.8(13) . .
C203 C202 C201 119.9(13) . .
C203 C202 H202 120.1 . .
C201 C202 H202 120.1 . .
C204 C203 C202 120.5(14) . .
C204 C203 H203 119.8 . .
C202 C203 H203 119.8 . .
C203 C204 C205 120.7(18) . .
C203 C204 H204 119.7 . .
C205 C204 H204 119.7 . .
C204 C205 C206 121.1(17) . .
C204 C205 H205 119.4 . .
C206 C205 H205 119.4 . .
C205 C206 C201 119.2(14) . .
C205 C206 H206 120.4 . .
C201 C206 H206 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.395(4) .
C1 C6 1.396(4) .
C1 C7 1.490(3) .
C2 C3 1.392(4) .
C2 H2 0.9500 .
C3 C4 1.382(5) .
C3 H3 0.9500 .
C4 C5 1.386(5) .
C4 H4 0.9500 .
C5 C6 1.386(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 N1 1.311(3) .
C7 N2 1.362(3) .
C8 N2 1.502(3) .
C8 C10 1.530(3) .
C8 C9 1.531(3) .
C8 C11 1.533(4) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 N1 1.485(3) .
C12 C14 1.526(4) .
C12 C15 1.532(4) .
C12 C13 1.533(4) .
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 .
C16 C17 1.399(3) .
C16 C19 1.409(3) 2_665
C16 Si1 1.855(3) .
N1 Si1 1.980(2) .
N2 Si1 1.822(2) .
Si1 N3 1.811(2) .
Si1 Cl1 2.1507(15) .
Si1 H1 1.44(7) .
Cl1 H1 0.81(7) .
N3 C19 1.372(3) .
N3 N3 1.426(4) 2_665
C17 C18 1.376(4) .
C17 H17 0.9500 .
C18 C21 1.394(4) 2_665
C18 H18 0.9500 .
C19 C20 1.401(4) .
C19 C16 1.409(3) 2_665
C20 C21 1.384(4) .
C20 H20 0.9500 .
C21 C18 1.394(4) 2_665
C21 H21 0.9500 .
C100 C101 1.47(2) .
C100 H10D 0.9800 .
C100 H10E 0.9800 .
C100 H10F 0.9800 .
C101 C106 1.407(15) .
C101 C102 1.409(12) .
C102 C103 1.388(13) .
C102 H102 0.9500 .
C103 C104 1.363(18) .
C103 H103 0.9500 .
C104 C105 1.363(17) .
C104 H104 0.9500 .
C105 C106 1.388(14) .
C105 H105 0.9500 .
C106 H106 0.9500 .
C200 C201 1.47(2) .
C200 H20A 0.9800 .
C200 H20B 0.9800 .
C200 H20C 0.9800 .
C201 C206 1.408(15) .
C201 C202 1.410(12) .
C202 C203 1.387(12) .
C202 H202 0.9500 .
C203 C204 1.362(17) .
C203 H203 0.9500 .
C204 C205 1.362(16) .
C204 H204 0.9500 .
C205 C206 1.389(13) .
C205 H205 0.9500 .
C206 H206 0.9500 .
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_4
C6 C1 C2 C3 -1.1(4) . .
C7 C1 C2 C3 177.6(2) . .
C1 C2 C3 C4 1.9(4) . .
C2 C3 C4 C5 -1.1(4) . .
C3 C4 C5 C6 -0.5(4) . .
C4 C5 C6 C1 1.3(4) . .
C2 C1 C6 C5 -0.5(4) . .
C7 C1 C6 C5 -179.2(2) . .
C2 C1 C7 N1 -106.7(3) . .
C6 C1 C7 N1 72.0(4) . .
C2 C1 C7 N2 68.9(3) . .
C6 C1 C7 N2 -112.4(3) . .
N2 C7 N1 C12 -161.1(2) . .
C1 C7 N1 C12 15.1(4) . .
N2 C7 N1 Si1 -4.02(19) . .
C1 C7 N1 Si1 172.3(2) . .
C14 C12 N1 C7 55.8(4) . .
C15 C12 N1 C7 174.9(3) . .
C13 C12 N1 C7 -67.7(3) . .
C14 C12 N1 Si1 -89.6(3) . .
C15 C12 N1 Si1 29.5(3) . .
C13 C12 N1 Si1 147.0(2) . .
N1 C7 N2 C8 -156.5(2) . .
C1 C7 N2 C8 27.2(4) . .
N1 C7 N2 Si1 4.4(2) . .
C1 C7 N2 Si1 -171.9(2) . .
C10 C8 N2 C7 -93.7(3) . .
C9 C8 N2 C7 27.9(3) . .
C11 C8 N2 C7 146.5(2) . .
C10 C8 N2 Si1 114.2(2) . .
C9 C8 N2 Si1 -124.1(2) . .
C11 C8 N2 Si1 -5.6(3) . .
C7 N2 Si1 N3 174.73(14) . .
C8 N2 Si1 N3 -27.5(2) . .
C7 N2 Si1 C16 -91.31(17) . .
C8 N2 Si1 C16 66.4(3) . .
C7 N2 Si1 N1 -2.96(14) . .
C8 N2 Si1 N1 154.8(3) . .
C7 N2 Si1 Cl1 77.13(15) . .
C8 N2 Si1 Cl1 -125.1(2) . .
C17 C16 Si1 N3 174.2(3) . .
C19 C16 Si1 N3 -0.57(18) 2_665 .
C17 C16 Si1 N2 68.3(3) . .
C19 C16 Si1 N2 -106.54(19) 2_665 .
C17 C16 Si1 N1 -2.3(3) . .
C19 C16 Si1 N1 -177.10(18) 2_665 .
C17 C16 Si1 Cl1 -98.5(2) . .
C19 C16 Si1 Cl1 86.7(2) 2_665 .
C7 N1 Si1 N3 -21.0(11) . .
C12 N1 Si1 N3 132.7(10) . .
C7 N1 Si1 N2 3.06(15) . .
C12 N1 Si1 N2 156.9(3) . .
C7 N1 Si1 C16 119.46(16) . .
C12 N1 Si1 C16 -86.7(3) . .
C7 N1 Si1 Cl1 -113.04(15) . .
C12 N1 Si1 Cl1 40.8(2) . .
N2 Si1 N3 C19 -62.1(3) . .
C16 Si1 N3 C19 -179.6(3) . .
N1 Si1 N3 C19 -38.7(12) . .
Cl1 Si1 N3 C19 53.3(2) . .
N2 Si1 N3 N3 117.8(2) . 2_665
C16 Si1 N3 N3 0.3(2) . 2_665
N1 Si1 N3 N3 141.1(10) . 2_665
Cl1 Si1 N3 N3 -126.9(2) . 2_665
C19 C16 C17 C18 -3.1(4) 2_665 .
Si1 C16 C17 C18 -177.6(2) . .
C16 C17 C18 C21 -1.4(4) . 2_665
N3 N3 C19 C20 -178.7(3) 2_665 .
Si1 N3 C19 C20 1.2(4) . .
N3 N3 C19 C16 0.6(4) 2_665 2_665
Si1 N3 C19 C16 -179.54(19) . 2_665
N3 C19 C20 C21 -176.4(2) . .
C16 C19 C20 C21 4.3(4) 2_665 .
C19 C20 C21 C18 0.3(4) . 2_665
C106 C101 C102 C103 0(3) . .
C100 C101 C102 C103 -180(2) . .
C101 C102 C103 C104 1(5) . .
C102 C103 C104 C105 -3(6) . .
C103 C104 C105 C106 4(6) . .
C104 C105 C106 C101 -3(6) . .
C102 C101 C106 C105 1(4) . .
C100 C101 C106 C105 -179(3) . .
C206 C201 C202 C203 2(2) . .
C200 C201 C202 C203 -179.3(18) . .
C201 C202 C203 C204 0(4) . .
C202 C203 C204 C205 -1(4) . .
C203 C204 C205 C206 0(4) . .
C204 C205 C206 C201 2(4) . .
C202 C201 C206 C205 -3(3) . .
C200 C201 C206 C205 178.4(18) . .
