#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/45/4104518.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_4104518
loop_
_publ_author_name
'Yun Xiong'
'Shenglai Yao'
'Matthias Driess'
_publ_contact_author_address
;Technische Universitaet Berlin
Institute of Chemistry: Metalorganics and Inorganic Materials 
Sekretariat C2  Strasse des 17. Juni 135
10623 Berlin Germany
;
_publ_contact_author_email       matthias.driess@tu-berlin.de
_publ_contact_author_fax         +49(0)30-314-29732
_publ_contact_author_name        'Matthias Driess'
_publ_contact_author_phone       +49(0)30-314-29731
_publ_section_title
;
 An Isolable NHC-Supported Silanone
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7562
_journal_page_last               7563
_journal_paper_doi               10.1021/ja9031049
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C46.5 H64 N4 O Si'
_chemical_formula_weight         723.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.280(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.6511(9)
_cell_length_b                   15.6914(4)
_cell_length_c                   24.5387(8)
_cell_measurement_reflns_used    10918
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.3885
_cell_measurement_theta_min      3.0732
_cell_volume                     8652.2(5)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S Sapphire'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            25696
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         7611
_refine_ls_number_restraints     185
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0490
_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)+(0.0620P)²+6.1980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                5692
_reflns_number_total             7611
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9031049_si_002_1.cif
_cod_data_source_block           Compound3
_cod_original_formula_sum        'C46.50 H64 N4 O Si'
_cod_database_code               4104518
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.18357(2) 0.24449(4) 0.60010(2) 0.02138(15) Uani 1 1 d . . .
O1 O 0.17593(6) 0.30186(9) 0.54648(6) 0.0271(3) Uani 1 1 d . . .
N1 N 0.19266(7) 0.29224(10) 0.66753(7) 0.0231(4) Uani 1 1 d . . .
C1 C 0.16659(10) 0.31556(15) 0.75161(10) 0.0353(5) Uani 1 1 d . . .
H1A H 0.1925 0.3634 0.7639 0.042 Uiso 1 1 calc R . .
H1B H 0.1445 0.2991 0.7738 0.042 Uiso 1 1 calc R . .
N2 N 0.12534(7) 0.17278(11) 0.58788(7) 0.0233(4) Uani 1 1 d . . .
C2 C 0.16112(9) 0.27091(13) 0.70236(9) 0.0257(5) Uani 1 1 d . . .
N3 N 0.27108(7) 0.10194(11) 0.64349(7) 0.0243(4) Uani 1 1 d . . .
C3 C 0.12178(9) 0.19772(13) 0.68339(9) 0.0265(5) Uani 1 1 d . . .
H3 H 0.1064 0.1784 0.7109 0.032 Uiso 1 1 calc R . .
N4 N 0.29716(7) 0.19773(11) 0.59676(7) 0.0234(4) Uani 1 1 d . . .
C4 C 0.10423(9) 0.15355(13) 0.63192(9) 0.0255(5) Uani 1 1 d . . .
C5 C 0.06314(10) 0.07898(15) 0.62005(10) 0.0350(5) Uani 1 1 d . . .
H5A H 0.0498 0.0738 0.6524 0.053 Uiso 1 1 calc R . .
H5B H 0.0841 0.0269 0.6180 0.053 Uiso 1 1 calc R . .
H5C H 0.0286 0.0874 0.5820 0.053 Uiso 1 1 calc R . .
C6 C 0.23474(9) 0.36204(13) 0.68851(9) 0.0268(5) Uani 1 1 d . . .
C7 C 0.21886(10) 0.44250(14) 0.66153(10) 0.0309(5) Uani 1 1 d . . .
C8 C 0.26089(12) 0.50802(15) 0.68181(11) 0.0409(6) Uani 1 1 d . . .
H8 H 0.2511 0.5627 0.6639 0.049 Uiso 1 1 calc R . .
C9 C 0.31608(12) 0.49494(17) 0.72716(12) 0.0453(7) Uani 1 1 d . . .
H9 H 0.3441 0.5402 0.7401 0.054 Uiso 1 1 calc R . .
C10 C 0.33072(11) 0.41625(17) 0.75374(11) 0.0419(6) Uani 1 1 d . . .
H10 H 0.3689 0.4080 0.7853 0.050 Uiso 1 1 calc R . .
C11 C 0.29102(10) 0.34829(15) 0.73554(10) 0.0325(5) Uani 1 1 d . . .
C12 C 0.30996(10) 0.26333(15) 0.76739(10) 0.0357(5) Uani 1 1 d . . .
H12 H 0.2766 0.2219 0.7484 0.043 Uiso 1 1 calc R . .
C13 C 0.36497(11) 0.22830(17) 0.76106(11) 0.0451(6) Uani 1 1 d . . .
H13A H 0.3578 0.2270 0.7187 0.068 Uiso 1 1 calc R . .
H13B H 0.3732 0.1704 0.7775 0.068 Uiso 1 1 calc R . .
H13C H 0.3992 0.2650 0.7830 0.068 Uiso 1 1 calc R . .
C14 C 0.32205(12) 0.2712(2) 0.83395(11) 0.0532(7) Uani 1 1 d . . .
H14A H 0.3551 0.3109 0.8536 0.080 Uiso 1 1 calc R . .
H14B H 0.3325 0.2151 0.8530 0.080 Uiso 1 1 calc R . .
H14C H 0.2863 0.2926 0.8375 0.080 Uiso 1 1 calc R . .
C15 C 0.15708(11) 0.46196(14) 0.61426(10) 0.0362(6) Uani 1 1 d . . .
H15 H 0.1369 0.4063 0.5987 0.043 Uiso 1 1 calc R . .
C16 C 0.12096(14) 0.5087(2) 0.64288(13) 0.0643(9) Uani 1 1 d . . .
H16A H 0.1399 0.5634 0.6590 0.096 Uiso 1 1 calc R . .
H16B H 0.1193 0.4739 0.6753 0.096 Uiso 1 1 calc R . .
H16C H 0.0805 0.5187 0.6127 0.096 Uiso 1 1 calc R . .
C17 C 0.15766(15) 0.51161(18) 0.56147(12) 0.0567(8) Uani 1 1 d . . .
H17A H 0.1745 0.5683 0.5748 0.085 Uiso 1 1 calc R . .
H17B H 0.1169 0.5173 0.5309 0.085 Uiso 1 1 calc R . .
H17C H 0.1819 0.4813 0.5446 0.085 Uiso 1 1 calc R . .
C18 C 0.08469(9) 0.15805(13) 0.52579(9) 0.0258(5) Uani 1 1 d . . .
C19 C 0.03726(9) 0.21546(14) 0.49804(9) 0.0303(5) Uani 1 1 d . . .
C20 C -0.00032(10) 0.20155(16) 0.43816(10) 0.0400(6) Uani 1 1 d . . .
H20 H -0.0327 0.2394 0.4187 0.048 Uiso 1 1 calc R . .
C21 C 0.00837(11) 0.13439(17) 0.40671(10) 0.0425(6) Uani 1 1 d . . .
H21 H -0.0174 0.1268 0.3658 0.051 Uiso 1 1 calc R . .
C22 C 0.05438(11) 0.07820(16) 0.43461(10) 0.0374(6) Uani 1 1 d . . .
H22 H 0.0599 0.0318 0.4126 0.045 Uiso 1 1 calc R . .
C23 C 0.09312(9) 0.08809(14) 0.49472(9) 0.0286(5) Uani 1 1 d . . .
C24 C 0.14142(10) 0.02236(14) 0.52390(10) 0.0310(5) Uani 1 1 d . . .
H24 H 0.1607 0.0357 0.5676 0.037 Uiso 1 1 calc R . .
C25 C 0.11582(12) -0.06810(15) 0.51730(12) 0.0457(6) Uani 1 1 d . . .
H25A H 0.0844 -0.0694 0.5320 0.068 Uiso 1 1 calc R . .
H25B H 0.1475 -0.1079 0.5406 0.068 Uiso 1 1 calc R . .
H25C H 0.0992 -0.0848 0.4751 0.068 Uiso 1 1 calc R . .
C26 C 0.18971(11) 0.02592(16) 0.50008(11) 0.0411(6) Uani 1 1 d . . .
H26A H 0.1719 0.0148 0.4570 0.062 Uiso 1 1 calc R . .
H26B H 0.2201 -0.0173 0.5203 0.062 Uiso 1 1 calc R . .
H26C H 0.2081 0.0825 0.5077 0.062 Uiso 1 1 calc R . .
C27 C 0.02521(10) 0.28982(14) 0.53083(10) 0.0341(5) Uani 1 1 d . . .
H27 H 0.0600 0.2953 0.5703 0.041 Uiso 1 1 calc R . .
C28 C 0.01894(12) 0.37386(16) 0.49739(12) 0.0478(7) Uani 1 1 d . . .
H28A H 0.0549 0.3840 0.4906 0.072 Uiso 1 1 calc R . .
H28B H 0.0136 0.4205 0.5212 0.072 Uiso 1 1 calc R . .
H28C H -0.0157 0.3709 0.4589 0.072 Uiso 1 1 calc R . .
C29 C -0.03013(12) 0.27396(19) 0.54296(14) 0.0572(8) Uani 1 1 d . . .
H29A H -0.0648 0.2662 0.5049 0.086 Uiso 1 1 calc R . .
H29B H -0.0368 0.3230 0.5642 0.086 Uiso 1 1 calc R . .
H29C H -0.0242 0.2226 0.5675 0.086 Uiso 1 1 calc R . .
C30 C 0.25520(9) 0.17938(13) 0.61745(8) 0.0224(4) Uani 1 1 d . . .
C31 C 0.32130(9) 0.07137(14) 0.63786(9) 0.0268(5) Uani 1 1 d . . .
C32 C 0.33766(9) 0.13201(14) 0.60851(9) 0.0265(5) Uani 1 1 d . . .
C33 C 0.24377(10) 0.05821(14) 0.67849(9) 0.0301(5) Uani 1 1 d . . .
H33A H 0.2102 0.0919 0.6781 0.045 Uiso 1 1 calc R . .
H33B H 0.2733 0.0514 0.7198 0.045 Uiso 1 1 calc R . .
H33C H 0.2296 0.0020 0.6610 0.045 Uiso 1 1 calc R . .
C34 C 0.34662(10) -0.01431(15) 0.66000(11) 0.0376(6) Uani 1 1 d . . .
H34A H 0.3811 -0.0243 0.6507 0.056 Uiso 1 1 calc R . .
H34B H 0.3164 -0.0580 0.6405 0.056 Uiso 1 1 calc R . .
H34C H 0.3590 -0.0171 0.7034 0.056 Uiso 1 1 calc R . .
C35 C 0.38743(10) 0.13534(16) 0.58903(10) 0.0368(6) Uani 1 1 d . . .
H35A H 0.4095 0.0815 0.5992 0.055 Uiso 1 1 calc R . .
H35B H 0.4142 0.1824 0.6094 0.055 Uiso 1 1 calc R . .
H35C H 0.3713 0.1443 0.5457 0.055 Uiso 1 1 calc R . .
C36 C 0.30362(10) 0.27897(14) 0.56992(10) 0.0304(5) Uani 1 1 d . . .
H36A H 0.2669 0.3122 0.5584 0.046 Uiso 1 1 calc R . .
H36B H 0.3113 0.2675 0.5345 0.046 Uiso 1 1 calc R . .
H36C H 0.3370 0.3113 0.5991 0.046 Uiso 1 1 calc R . .
C37 C 0.0000 0.3575(5) 0.2500 0.112(2) Uani 1 2 d S . .
H37A H 0.0250 0.3367 0.2304 0.168 Uiso 0.50 1 calc PR . .
H37B H -0.0408 0.3367 0.2283 0.168 Uiso 0.50 1 calc PR . .
H37C H 0.0158 0.3367 0.2913 0.168 Uiso 0.50 1 calc PR . .
C38 C 0.0000 0.4499(4) 0.2500 0.0752(15) Uani 1 2 d S . .
C39 C 0.01292(14) 0.4933(4) 0.20775(17) 0.0990(15) Uani 1 1 d . . .
H39 H 0.0214 0.4636 0.1784 0.119 Uiso 1 1 calc R . .
C40 C 0.0130(2) 0.5795(5) 0.2097(4) 0.172(4) Uani 1 1 d . . .
H40 H 0.0229 0.6081 0.1809 0.207 Uiso 1 1 calc R . .
C41 C 0.0000 0.6318(8) 0.2500 0.209(9) Uani 1 2 d S . .
H41 H 0.0000 0.6924 0.2500 0.251 Uiso 1 2 calc SR . .
C42 C 0.1542(5) 0.7587(8) 0.4046(5) 0.141(4) Uani 0.50 1 d PDU A -1
H42A H 0.1569 0.8023 0.3773 0.212 Uiso 0.50 1 calc PR A -1
H42B H 0.1191 0.7695 0.4128 0.212 Uiso 0.50 1 calc PR A -1
H42C H 0.1508 0.7023 0.3864 0.212 Uiso 0.50 1 calc PR A -1
C43 C 0.2093(5) 0.7617(6) 0.4623(4) 0.108(3) Uani 0.50 1 d PDU A -1
C44 C 0.2139(6) 0.7149(7) 0.5082(5) 0.139(4) Uani 0.50 1 d PDU A -1
H44 H 0.1810 0.6806 0.5054 0.167 Uiso 0.50 1 calc PR A -1
C45 C 0.2644(6) 0.7138(7) 0.5599(5) 0.145(4) Uani 0.50 1 d PDU A -1
H45 H 0.2678 0.6768 0.5917 0.174 Uiso 0.50 1 calc PR A -1
C43A C 0.3101(6) 0.7674(8) 0.5647(6) 0.133(4) Uani 0.50 1 d PDU A -1
H43A H 0.3465 0.7663 0.5996 0.160 Uiso 0.50 1 calc PR A -1
C44A C 0.3035(5) 0.8193(6) 0.5218(5) 0.116(3) Uani 0.50 1 d PDU A -1
H44A H 0.3345 0.8583 0.5261 0.139 Uiso 0.50 1 calc PR A -1
C45A C 0.2513(5) 0.8194(6) 0.4687(5) 0.112(3) Uani 0.50 1 d PDU A -1
H45A H 0.2460 0.8597 0.4379 0.135 Uiso 0.50 1 calc PR A -1
C46 C 0.0789(6) -0.1308(11) 0.3242(5) 0.214(5) Uani 0.50 1 d PDU B -2
H46A H 0.1120 -0.0960 0.3513 0.321 Uiso 0.50 1 calc PR B -2
H46B H 0.0936 -0.1708 0.3027 0.321 Uiso 0.50 1 calc PR B -2
H46C H 0.0614 -0.1628 0.3473 0.321 Uiso 0.50 1 calc PR B -2
C47 C 0.0373(5) -0.0800(7) 0.2847(4) 0.151(3) Uani 0.50 1 d PDU B -2
C48 C 0.0509(6) 0.0083(7) 0.2925(6) 0.159(4) Uani 0.50 1 d PDU B -2
H48 H 0.0884 0.0245 0.3224 0.190 Uiso 0.50 1 calc PR B -2
C49 C 0.0141(4) 0.0706(7) 0.2602(5) 0.150(3) Uani 0.50 1 d PDU B -2
H49 H 0.0246 0.1291 0.2673 0.179 Uiso 0.50 1 calc PR B -2
C50 C -0.0408(5) 0.0444(7) 0.2153(5) 0.138(3) Uani 0.50 1 d PDU B -2
H50 H -0.0686 0.0861 0.1920 0.166 Uiso 0.50 1 calc PR B -2
C51 C -0.0549(4) -0.0420(7) 0.2047(5) 0.132(3) Uani 0.50 1 d PDU B -2
H51 H -0.0917 -0.0574 0.1732 0.159 Uiso 0.50 1 calc PR B -2
C52 C -0.0172(4) -0.1066(7) 0.2386(4) 0.144(3) Uani 0.50 1 d PDU B -2
H52 H -0.0275 -0.1651 0.2311 0.172 Uiso 0.50 1 calc PR B -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'
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
O1 Si1 N1 118.81(8) . .
O1 Si1 N2 115.21(8) . .
N1 Si1 N2 102.42(8) . .
O1 Si1 C30 106.09(8) . .
N1 Si1 C30 105.61(8) . .
N2 Si1 C30 108.00(9) . .
C2 N1 C6 117.12(16) . .
C2 N1 Si1 125.75(14) . .
C6 N1 Si1 117.09(13) . .
C4 N2 C18 117.07(16) . .
C4 N2 Si1 122.75(13) . .
C18 N2 Si1 116.36(13) . .
C1 C2 N1 122.68(19) . .
C1 C2 C3 120.25(19) . .
N1 C2 C3 117.07(17) . .
C30 N3 C31 111.13(17) . .
C30 N3 C33 125.79(17) . .
C31 N3 C33 122.82(17) . .
C4 C3 C2 128.54(19) . .
C30 N4 C32 111.12(17) . .
C30 N4 C36 126.15(17) . .
C32 N4 C36 122.53(17) . .
C3 C4 N2 122.04(19) . .
C3 C4 C5 121.07(19) . .
N2 C4 C5 116.84(18) . .
C7 C6 C11 120.9(2) . .
C7 C6 N1 119.45(19) . .
C11 C6 N1 119.66(19) . .
C8 C7 C6 118.1(2) . .
C8 C7 C15 119.2(2) . .
C6 C7 C15 122.6(2) . .
C9 C8 C7 121.4(2) . .
C8 C9 C10 119.9(2) . .
C9 C10 C11 121.6(2) . .
C10 C11 C6 118.1(2) . .
C10 C11 C12 118.8(2) . .
C6 C11 C12 123.1(2) . .
C11 C12 C13 111.2(2) . .
C11 C12 C14 111.1(2) . .
C13 C12 C14 110.10(19) . .
C17 C15 C7 113.4(2) . .
C17 C15 C16 111.0(2) . .
C7 C15 C16 109.6(2) . .
C23 C18 C19 121.16(19) . .
C23 C18 N2 120.11(18) . .
C19 C18 N2 118.73(18) . .
C20 C19 C18 117.9(2) . .
C20 C19 C27 119.3(2) . .
C18 C19 C27 122.72(19) . .
C21 C20 C19 121.5(2) . .
C20 C21 C22 119.9(2) . .
C21 C22 C23 121.3(2) . .
C22 C23 C18 118.2(2) . .
C22 C23 C24 119.1(2) . .
C18 C23 C24 122.72(18) . .
C23 C24 C26 112.28(18) . .
C23 C24 C25 111.77(19) . .
C26 C24 C25 110.16(19) . .
C19 C27 C28 112.2(2) . .
C19 C27 C29 111.3(2) . .
C28 C27 C29 110.1(2) . .
N3 C30 N4 104.47(17) . .
N3 C30 Si1 129.81(15) . .
N4 C30 Si1 125.03(15) . .
C32 C31 N3 106.50(18) . .
C32 C31 C34 131.2(2) . .
N3 C31 C34 122.27(19) . .
C31 C32 N4 106.77(17) . .
C31 C32 C35 131.4(2) . .
N4 C32 C35 121.81(19) . .
C39 C38 C39 121.0(7) 2 .
C39 C38 C37 119.5(3) 2 .
C39 C38 C37 119.5(3) . .
C40 C39 C38 117.6(6) . .
C39 C40 C41 127.3(10) . .
C40 C41 C40 109.3(12) . 2
C44 C43 C45A 119.5(8) . .
C44 C43 C42 121.1(9) . .
C45A C43 C42 119.1(8) . .
C43 C44 C45 122.0(9) . .
C44 C45 C43A 118.5(8) . .
C44A C43A C45 119.5(9) . .
C43A C44A C45A 121.3(8) . .
C43 C45A C44A 118.4(7) . .
C46 C47 C52 126.3(10) . .
C46 C47 C48 114.5(10) . .
C52 C47 C48 119.2(9) . .
C49 C48 C47 124.4(10) . .
C48 C49 C50 116.5(9) . .
C51 C50 C49 121.0(9) . .
C52 C51 C50 122.7(9) . .
C51 C52 C47 116.2(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.5406(15) .
Si1 N1 1.7449(17) .
Si1 N2 1.7499(17) .
Si1 C30 1.930(2) .
N1 C2 1.412(3) .
N1 C6 1.450(3) .
C1 C2 1.355(3) .
N2 C4 1.411(2) .
N2 C18 1.457(3) .
C2 C3 1.451(3) .
N3 C30 1.354(3) .
N3 C31 1.386(3) .
N3 C33 1.462(3) .
C3 C4 1.347(3) .
N4 C30 1.357(3) .
N4 C32 1.381(3) .
N4 C36 1.473(3) .
C4 C5 1.496(3) .
C6 C7 1.405(3) .
C6 C11 1.409(3) .
C7 C8 1.398(3) .
C7 C15 1.518(3) .
C8 C9 1.373(4) .
C9 C10 1.374(4) .
C10 C11 1.391(3) .
C11 C12 1.519(3) .
C12 C13 1.529(3) .
C12 C14 1.540(3) .
C15 C17 1.517(3) .
C15 C16 1.529(3) .
C18 C23 1.400(3) .
C18 C19 1.410(3) .
C19 C20 1.395(3) .
C19 C27 1.514(3) .
C20 C21 1.374(4) .
C21 C22 1.376(3) .
C22 C23 1.398(3) .
C23 C24 1.514(3) .
C24 C26 1.528(3) .
C24 C25 1.535(3) .
C27 C28 1.527(3) .
C27 C29 1.531(3) .
C31 C32 1.351(3) .
C31 C34 1.488(3) .
C32 C35 1.489(3) .
C37 C38 1.449(8) .
C38 C39 1.383(5) 2
C38 C39 1.383(5) .
C39 C40 1.353(8) .
C40 C41 1.420(8) .
C41 C40 1.420(8) 2
C42 C43 1.506(9) .
C43 C44 1.309(10) .
C43 C45A 1.337(10) .
C44 C45 1.364(11) .
C45 C43A 1.373(11) .
C43A C44A 1.287(10) .
C44A C45A 1.406(10) .
C46 C47 1.345(15) .
C47 C52 1.418(11) .
C47 C48 1.420(11) .
C48 C49 1.347(10) .
C49 C50 1.409(11) .
C50 C51 1.397(11) .
C51 C52 1.395(10) .
