#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/89/4068957.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_4068957
loop_
_publ_author_name
'Yao, Shenglai'
'Xiong, Yun'
'van Wüllen, Christoph'
'Driess, Matthias'
_publ_section_title
;
 From an N-Heterocyclic Silacyclopropene to Donor-Supported
 Silacyclopropenylium Cations
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1610
_journal_paper_doi               10.1021/om801178g
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C52.5 H45.5 B F15 N2 Si'
_chemical_formula_weight         1028.31
_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
;
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                101.619(6)
_cell_angle_beta                 91.530(6)
_cell_angle_gamma                107.133(7)
_cell_formula_units_Z            2
_cell_length_a                   11.2757(9)
_cell_length_b                   12.8546(9)
_cell_length_c                   18.2049(14)
_cell_measurement_reflns_used    5239
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.3944
_cell_measurement_theta_min      2.9754
_cell_volume                     2459.5(3)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.1137
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23559
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.143
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1057
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.294
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         8657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.821
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0397
_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)+(0.0319P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                4402
_reflns_number_total             8657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801178g_si_001.cif
_cod_data_source_block           compound3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C52.50 H45.50 B F15 N2 Si'
_cod_database_code               4068957
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
Si1 Si 0.39326(6) 0.79473(5) 0.27275(4) 0.03108(18) Uani 1 1 d .
F1 F -0.23126(12) 0.34096(10) 0.34183(7) 0.0415(4) Uani 1 1 d .
N1 N 0.31105(16) 0.65606(13) 0.27139(9) 0.0238(5) Uani 1 1 d .
C1 C 0.12506(19) 0.49102(15) 0.25394(12) 0.0236(6) Uani 1 1 d .
H1A H 0.1517 0.4852 0.3048 0.028 Uiso 1 1 calc R
H1B H 0.1594 0.4418 0.2175 0.028 Uiso 1 1 calc R
B1 B -0.0286(2) 0.43745(19) 0.24181(14) 0.0240(6) Uani 1 1 d .
F2 F -0.28583(15) 0.14221(11) 0.37290(9) 0.0637(5) Uani 1 1 d .
N2 N 0.27530(16) 0.84797(13) 0.25094(9) 0.0246(5) Uani 1 1 d .
C2 C 0.1875(2) 0.60742(16) 0.24696(11) 0.0215(5) Uani 1 1 d .
F3 F -0.15748(15) -0.00121(11) 0.31867(10) 0.0732(5) Uani 1 1 d .
C3 C 0.12220(19) 0.66813(16) 0.21746(11) 0.0227(5) Uani 1 1 d .
H3 H 0.0424 0.6268 0.1921 0.027 Uiso 1 1 calc R
F4 F 0.02955(14) 0.06311(11) 0.22908(10) 0.0701(5) Uani 1 1 d .
C4 C 0.1592(2) 0.78119(17) 0.22055(12) 0.0238(5) Uani 1 1 d .
F5 F 0.08374(13) 0.25939(10) 0.19389(8) 0.0473(4) Uani 1 1 d .
C5 C 0.0690(2) 0.83369(17) 0.19440(13) 0.0324(6) Uani 1 1 d .
H5A H 0.0432 0.8774 0.2380 0.049 Uiso 1 1 calc R
H5B H -0.0042 0.7754 0.1666 0.049 Uiso 1 1 calc R
H5C H 0.1088 0.8828 0.1614 0.049 Uiso 1 1 calc R
F6 F 0.00257(13) 0.50077(10) 0.40538(7) 0.0443(4) Uani 1 1 d .
C6 C 0.3868(2) 0.58883(17) 0.29102(14) 0.0266(6) Uani 1 1 d .
F7 F -0.06734(15) 0.65785(11) 0.49585(8) 0.0633(5) Uani 1 1 d .
C7 C 0.4148(2) 0.59052(18) 0.36641(14) 0.0334(6) Uani 1 1 d .
F8 F -0.20414(14) 0.77073(11) 0.43870(9) 0.0676(5) Uani 1 1 d .
C8 C 0.4946(2) 0.5319(2) 0.38257(16) 0.0465(7) Uani 1 1 d .
H8 H 0.5151 0.5319 0.4335 0.056 Uiso 1 1 calc R
F9 F -0.25710(13) 0.72959(11) 0.28687(9) 0.0581(4) Uani 1 1 d .
C9 C 0.5442(2) 0.4740(2) 0.32612(19) 0.0514(8) Uani 1 1 d .
H9 H 0.5994 0.4354 0.3383 0.062 Uiso 1 1 calc R
F10 F -0.18429(11) 0.57871(9) 0.19511(8) 0.0365(3) Uani 1 1 d .
C10 C 0.5137(2) 0.47203(19) 0.25203(17) 0.0449(7) Uani 1 1 d .
H10 H 0.5478 0.4309 0.2136 0.054 Uiso 1 1 calc R
F11 F -0.29122(11) 0.33984(9) 0.19229(7) 0.0341(3) Uani 1 1 d .
C11 C 0.4345(2) 0.52868(18) 0.23193(14) 0.0335(6) Uani 1 1 d .
F12 F -0.40042(12) 0.26627(10) 0.05197(7) 0.0469(4) Uani 1 1 d .
C12 C 0.4046(2) 0.52297(19) 0.14913(14) 0.0410(7) Uani 1 1 d .
H12 H 0.3385 0.5595 0.1451 0.049 Uiso 1 1 calc R
F13 F -0.26108(13) 0.28145(11) -0.06760(7) 0.0519(4) Uani 1 1 d .
C13 C 0.5190(3) 0.5864(2) 0.11467(15) 0.0626(9) Uani 1 1 d .
H13A H 0.5491 0.6641 0.1427 0.094 Uiso 1 1 calc R
H13B H 0.4962 0.5840 0.0619 0.094 Uiso 1 1 calc R
H13C H 0.5850 0.5515 0.1174 0.094 Uiso 1 1 calc R
F14 F -0.00781(13) 0.37201(10) -0.04221(7) 0.0440(4) Uani 1 1 d .
C14 C 0.3542(2) 0.4017(2) 0.10390(15) 0.0612(9) Uani 1 1 d .
H14A H 0.4212 0.3672 0.1011 0.092 Uiso 1 1 calc R
H14B H 0.3232 0.4009 0.0529 0.092 Uiso 1 1 calc R
H14C H 0.2861 0.3598 0.1289 0.092 Uiso 1 1 calc R
F15 F 0.10138(11) 0.45170(10) 0.09534(7) 0.0372(4) Uani 1 1 d .
C15 C 0.3593(2) 0.6491(2) 0.43154(13) 0.0439(7) Uani 1 1 d .
H15 H 0.3044 0.6867 0.4105 0.053 Uiso 1 1 calc R
C16 C 0.2797(2) 0.5647(2) 0.47292(15) 0.0638(9) Uani 1 1 d .
H16A H 0.2205 0.5037 0.4364 0.096 Uiso 1 1 calc R
H16B H 0.2340 0.6017 0.5090 0.096 Uiso 1 1 calc R
H16C H 0.3338 0.5346 0.4998 0.096 Uiso 1 1 calc R
C17 C 0.4612(3) 0.7379(2) 0.48686(15) 0.0648(9) Uani 1 1 d .
H17A H 0.5121 0.7019 0.5110 0.097 Uiso 1 1 calc R
H17B H 0.4228 0.7790 0.5254 0.097 Uiso 1 1 calc R
H17C H 0.5142 0.7898 0.4597 0.097 Uiso 1 1 calc R
C18 C 0.2986(2) 0.96966(17) 0.27327(14) 0.0304(6) Uani 1 1 d .
C19 C 0.3580(2) 1.03730(19) 0.22545(14) 0.0386(7) Uani 1 1 d .
C20 C 0.3742(3) 1.1516(2) 0.24915(17) 0.0548(8) Uani 1 1 d .
H20 H 0.4141 1.2008 0.2185 0.066 Uiso 1 1 calc R
C21 C 0.3337(3) 1.1941(2) 0.31551(17) 0.0576(9) Uani 1 1 d .
H21 H 0.3440 1.2718 0.3295 0.069 Uiso 1 1 calc R
C22 C 0.2785(3) 1.12556(19) 0.36187(15) 0.0495(8) Uani 1 1 d .
H22 H 0.2527 1.1568 0.4082 0.059 Uiso 1 1 calc R
C23 C 0.2596(2) 1.01105(18) 0.34226(14) 0.0349(6) Uani 1 1 d .
C24 C 0.2028(3) 0.9380(2) 0.39585(14) 0.0432(7) Uani 1 1 d .
H24 H 0.1885 0.8586 0.3695 0.052 Uiso 1 1 calc R
C25 C 0.0781(3) 0.9502(2) 0.41874(17) 0.0721(10) Uani 1 1 d .
H25A H 0.0897 1.0273 0.4453 0.108 Uiso 1 1 calc R
H25B H 0.0443 0.8996 0.4520 0.108 Uiso 1 1 calc R
H25C H 0.0200 0.9317 0.3737 0.108 Uiso 1 1 calc R
C26 C 0.2922(3) 0.9626(3) 0.46571(16) 0.0743(10) Uani 1 1 d .
H26A H 0.3726 0.9551 0.4506 0.112 Uiso 1 1 calc R
H26B H 0.2575 0.9098 0.4974 0.112 Uiso 1 1 calc R
H26C H 0.3041 1.0389 0.4941 0.112 Uiso 1 1 calc R
C27 C 0.4049(3) 0.9937(2) 0.15196(14) 0.0497(8) Uani 1 1 d .
H27 H 0.3881 0.9115 0.1463 0.060 Uiso 1 1 calc R
C28 C 0.5457(3) 1.0464(2) 0.15204(16) 0.0647(9) Uani 1 1 d .
H28A H 0.5644 1.1264 0.1540 0.097 Uiso 1 1 calc R
H28B H 0.5743 1.0109 0.1061 0.097 Uiso 1 1 calc R
H28C H 0.5886 1.0356 0.1961 0.097 Uiso 1 1 calc R
C29 C 0.3365(3) 1.0118(2) 0.08441(16) 0.0738(10) Uani 1 1 d .
H29A H 0.2465 0.9799 0.0858 0.111 Uiso 1 1 calc R
H29B H 0.3623 0.9751 0.0378 0.111 Uiso 1 1 calc R
H29C H 0.3569 1.0919 0.0863 0.111 Uiso 1 1 calc R
C30 C 0.5498(2) 0.8444(2) 0.25653(19) 0.0531(8) Uani 1 1 d .
H30 H 0.6088 0.8476 0.2201 0.064 Uiso 1 1 calc R
C31 C 0.5319(2) 0.87488(19) 0.32860(17) 0.0473(7) Uani 1 1 d .
H31 H 0.5692 0.9140 0.3777 0.057 Uiso 1 1 calc R
C32 C -0.0063(2) 0.23776(19) 0.24187(14) 0.0352(6) Uani 1 1 d .
C33 C -0.0343(2) 0.13323(19) 0.25823(16) 0.0432(7) Uani 1 1 d .
C34 C -0.1273(3) 0.1013(2) 0.30280(17) 0.0493(8) Uani 1 1 d .
C35 C -0.1911(2) 0.1738(2) 0.33009(15) 0.0418(7) Uani 1 1 d .
C36 C -0.1604(2) 0.27745(18) 0.31300(13) 0.0316(6) Uani 1 1 d .
C37 C -0.0621(2) 0.55574(18) 0.37226(14) 0.0319(6) Uani 1 1 d .
C38 C -0.0978(2) 0.6361(2) 0.42108(15) 0.0406(7) Uani 1 1 d .
C39 C -0.1658(2) 0.69370(19) 0.39210(17) 0.0426(7) Uani 1 1 d .
C40 C -0.1926(2) 0.67166(19) 0.31605(16) 0.0372(7) Uani 1 1 d .
C41 C -0.1544(2) 0.59166(17) 0.26986(14) 0.0286(6) Uani 1 1 d .
C42 C -0.08724(19) 0.52863(16) 0.29449(13) 0.0232(5) Uani 1 1 d .
C43 C -0.0887(2) 0.40010(16) 0.15269(13) 0.0235(6) Uani 1 1 d .
C44 C -0.0248(2) 0.40442(17) 0.08943(13) 0.0269(6) Uani 1 1 d .
C45 C -0.0789(2) 0.36476(18) 0.01647(14) 0.0317(6) Uani 1 1 d .
C46 C -0.2049(2) 0.31861(18) 0.00330(14) 0.0337(6) Uani 1 1 d .
C47 C -0.2756(2) 0.31116(18) 0.06401(15) 0.0323(6) Uani 1 1 d .
C48 C -0.2161(2) 0.35024(17) 0.13552(13) 0.0264(6) Uani 1 1 d .
C49 C 0.0419(8) 0.1121(6) 0.0083(4) 0.156(3) Uani 1 1 d .
H49 H 0.0676 0.1911 0.0154 0.187 Uiso 1 1 calc R
C50 C -0.0578(8) 0.0640(7) 0.0493(4) 0.164(3) Uani 1 1 d .
H50 H -0.0951 0.1093 0.0828 0.196 Uiso 1 1 calc R
C51 C -0.1012(7) -0.0590(7) 0.0380(4) 0.160(3) Uani 1 1 d .
C52 C -0.1969(9) -0.1118(11) 0.0770(6) 0.169(6) Uani 0.50 1 d P
H52A H -0.2729 -0.1477 0.0426 0.254 Uiso 0.50 1 calc PR
H52B H -0.2123 -0.0565 0.1181 0.254 Uiso 0.50 1 calc PR
H52C H -0.1731 -0.1682 0.0977 0.254 Uiso 0.50 1 calc PR
C54 C -0.0651(2) 0.31624(17) 0.26852(12) 0.0254(6) Uani 1 1 d .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
N2 Si1 N1 102.17(8) .
N2 Si1 C30 126.40(11) .
N1 Si1 C30 125.63(10) .
N2 Si1 C31 123.77(10) .
N1 Si1 C31 126.26(10) .
C30 Si1 C31 44.65(11) .
C2 N1 C6 120.41(16) .
C2 N1 Si1 124.15(14) .
C6 N1 Si1 115.13(13) .
C2 C1 B1 121.02(18) .
C1 B1 C43 114.83(19) .
C1 B1 C42 107.24(16) .
C43 B1 C42 112.70(18) .
C1 B1 C54 107.27(17) .
C43 B1 C54 102.59(16) .
C42 B1 C54 112.15(19) .
C4 N2 C18 119.07(17) .
C4 N2 Si1 122.56(14) .
C18 N2 Si1 118.08(14) .
N1 C2 C3 119.50(19) .
N1 C2 C1 119.27(18) .
C3 C2 C1 121.21(19) .
C4 C3 C2 127.8(2) .
N2 C4 C3 121.3(2) .
N2 C4 C5 118.77(18) .
C3 C4 C5 119.8(2) .
C7 C6 C11 122.2(2) .
C7 C6 N1 119.9(2) .
C11 C6 N1 117.8(2) .
C8 C7 C6 117.9(2) .
C8 C7 C15 118.4(2) .
C6 C7 C15 123.7(2) .
C9 C8 C7 121.2(3) .
C8 C9 C10 120.0(3) .
C9 C10 C11 121.8(3) .
C10 C11 C6 117.0(2) .
C10 C11 C12 119.1(2) .
C6 C11 C12 123.9(2) .
C11 C12 C13 111.3(2) .
C11 C12 C14 111.7(2) .
C13 C12 C14 109.9(2) .
C7 C15 C16 110.6(2) .
C7 C15 C17 111.2(2) .
C16 C15 C17 109.8(2) .
C23 C18 C19 123.4(2) .
C23 C18 N2 117.3(2) .
C19 C18 N2 119.3(2) .
C18 C19 C20 116.3(2) .
C18 C19 C27 123.8(2) .
C20 C19 C27 119.9(2) .
C21 C20 C19 121.6(3) .
C20 C21 C22 120.6(2) .
C21 C22 C23 121.2(3) .
C22 C23 C18 116.9(2) .
C22 C23 C24 120.0(2) .
C18 C23 C24 123.0(2) .
C23 C24 C25 112.8(2) .
C23 C24 C26 110.6(2) .
C25 C24 C26 109.8(2) .
C19 C27 C29 111.7(2) .
C19 C27 C28 111.6(2) .
C29 C27 C28 110.1(2) .
C31 C30 Si1 68.06(17) .
C30 C31 Si1 67.29(16) .
F5 C32 C54 120.1(2) .
F5 C32 C33 115.0(2) .
C54 C32 C33 124.9(2) .
F4 C33 C34 120.5(2) .
F4 C33 C32 119.8(3) .
C34 C33 C32 119.6(2) .
F3 C34 C33 120.7(3) .
F3 C34 C35 120.5(3) .
C33 C34 C35 118.8(2) .
F2 C35 C34 119.5(2) .
F2 C35 C36 120.4(2) .
C34 C35 C36 120.1(3) .
F1 C36 C35 114.8(2) .
F1 C36 C54 121.00(19) .
C35 C36 C54 124.2(2) .
F6 C37 C38 115.3(2) .
F6 C37 C42 119.4(2) .
C38 C37 C42 125.3(2) .
F7 C38 C39 120.1(2) .
F7 C38 C37 121.1(3) .
C39 C38 C37 118.8(2) .
F8 C39 C40 121.4(3) .
F8 C39 C38 120.0(3) .
C40 C39 C38 118.7(2) .
F9 C40 C39 119.1(2) .
F9 C40 C41 120.5(2) .
C39 C40 C41 120.3(2) .
F10 C41 C40 115.0(2) .
F10 C41 C42 120.3(2) .
C40 C41 C42 124.7(2) .
C41 C42 C37 112.1(2) .
C41 C42 B1 127.4(2) .
C37 C42 B1 120.3(2) .
C44 C43 C48 112.6(2) .
C44 C43 B1 127.3(2) .
C48 C43 B1 119.9(2) .
F15 C44 C43 120.9(2) .
F15 C44 C45 114.3(2) .
C43 C44 C45 124.9(2) .
F14 C45 C46 119.8(2) .
F14 C45 C44 120.4(2) .
C46 C45 C44 119.7(2) .
F13 C46 C45 121.1(2) .
F13 C46 C47 120.0(2) .
C45 C46 C47 118.9(2) .
F12 C47 C48 121.6(2) .
F12 C47 C46 119.6(2) .
C48 C47 C46 118.8(2) .
F11 C48 C47 115.5(2) .
F11 C48 C43 119.3(2) .
C47 C48 C43 125.2(2) .
C51 C49 C50 126.6(9) 2
C49 C50 C51 117.6(7) .
C49 C51 C52 123.4(11) 2
C49 C51 C50 115.8(8) 2
C52 C51 C50 120.8(11) .
C32 C54 C36 112.4(2) .
C32 C54 B1 120.8(2) .
C36 C54 B1 126.55(19) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N2 1.7358(18) .
Si1 N1 1.7449(17) .
Si1 C30 1.746(3) .
Si1 C31 1.756(3) .
F1 C36 1.347(2) .
N1 C2 1.368(2) .
N1 C6 1.465(3) .
C1 C2 1.487(3) .
C1 B1 1.656(3) .
B1 C43 1.661(3) .
B1 C42 1.664(3) .
B1 C54 1.665(3) .
F2 C35 1.353(3) .
N2 C4 1.366(2) .
N2 C18 1.476(3) .
C2 C3 1.388(3) .
F3 C34 1.352(3) .
C3 C4 1.378(3) .
F4 C33 1.350(3) .
C4 C5 1.491(3) .
F5 C32 1.360(3) .
F6 C37 1.359(3) .
C6 C7 1.395(3) .
C6 C11 1.409(3) .
F7 C38 1.347(3) .
C7 C8 1.392(3) .
C7 C15 1.524(3) .
F8 C39 1.349(2) .
C8 C9 1.375(3) .
F9 C40 1.351(3) .
C9 C10 1.376(3) .
F10 C41 1.358(2) .
C10 C11 1.392(3) .
F11 C48 1.356(2) .
C11 C12 1.518(3) .
F12 C47 1.347(2) .
C12 C13 1.533(3) .
C12 C14 1.538(3) .
F13 C46 1.351(2) .
F14 C45 1.355(3) .
F15 C44 1.364(2) .
C15 C16 1.530(3) .
C15 C17 1.530(3) .
C18 C23 1.397(3) .
C18 C19 1.398(3) .
C19 C20 1.400(3) .
C19 C27 1.515(3) .
C20 C21 1.370(4) .
C21 C22 1.372(4) .
C22 C23 1.393(3) .
C23 C24 1.514(3) .
C24 C25 1.519(3) .
C24 C26 1.522(3) .
C27 C29 1.527(3) .
C27 C28 1.531(3) .
C30 C31 1.330(3) .
C32 C54 1.381(3) .
C32 C33 1.382(3) .
C33 C34 1.361(4) .
C34 C35 1.364(3) .
C35 C36 1.376(3) .
C36 C54 1.397(3) .
C37 C38 1.383(3) .
C37 C42 1.389(3) .
C38 C39 1.373(3) .
C39 C40 1.363(3) .
C40 C41 1.372(3) .
C41 C42 1.386(3) .
C43 C44 1.376(3) .
C43 C48 1.388(3) .
C44 C45 1.377(3) .
C45 C46 1.362(3) .
C46 C47 1.382(3) .
C47 C48 1.374(3) .
C49 C51 1.300(7) 2
C49 C50 1.423(8) .
C50 C51 1.480(9) .
C51 C49 1.300(7) 2
C51 C52 1.390(10) .
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
N2 Si1 N1 C2 8.59(18) . .
C30 Si1 N1 C2 -145.75(19) . .
C31 Si1 N1 C2 158.29(19) . .
N2 Si1 N1 C6 -177.75(15) . .
C30 Si1 N1 C6 27.9(2) . .
C31 Si1 N1 C6 -28.1(2) . .
C2 C1 B1 C43 76.5(2) . .
C2 C1 B1 C42 -49.6(3) . .
C2 C1 B1 C54 -170.21(18) . .
N1 Si1 N2 C4 -15.90(19) . .
C30 Si1 N2 C4 138.2(2) . .
C31 Si1 N2 C4 -166.60(18) . .
N1 Si1 N2 C18 157.90(16) . .
C30 Si1 N2 C18 -48.0(2) . .
C31 Si1 N2 C18 7.2(2) . .
C6 N1 C2 C3 -169.9(2) . .
Si1 N1 C2 C3 3.5(3) . .
C6 N1 C2 C1 11.3(3) . .
Si1 N1 C2 C1 -175.34(14) . .
B1 C1 C2 N1 167.37(19) . .
B1 C1 C2 C3 -11.4(3) . .
N1 C2 C3 C4 -12.4(3) . .
C1 C2 C3 C4 166.4(2) . .
C18 N2 C4 C3 -162.3(2) . .
Si1 N2 C4 C3 11.4(3) . .
C18 N2 C4 C5 14.1(3) . .
Si1 N2 C4 C5 -172.12(16) . .
C2 C3 C4 N2 4.6(4) . .
C2 C3 C4 C5 -171.9(2) . .
C2 N1 C6 C7 -101.6(2) . .
Si1 N1 C6 C7 84.5(2) . .
C2 N1 C6 C11 81.8(3) . .
Si1 N1 C6 C11 -92.17(19) . .
C11 C6 C7 C8 1.2(3) . .
N1 C6 C7 C8 -175.34(19) . .
C11 C6 C7 C15 -176.4(2) . .
N1 C6 C7 C15 7.1(3) . .
C6 C7 C8 C9 -0.1(3) . .
C15 C7 C8 C9 177.7(2) . .
C7 C8 C9 C10 -0.9(4) . .
C8 C9 C10 C11 0.8(4) . .
C9 C10 C11 C6 0.2(3) . .
C9 C10 C11 C12 -180.0(2) . .
C7 C6 C11 C10 -1.3(3) . .
N1 C6 C11 C10 175.33(19) . .
C7 C6 C11 C12 178.9(2) . .
N1 C6 C11 C12 -4.5(3) . .
C10 C11 C12 C13 -69.1(3) . .
C6 C11 C12 C13 110.7(3) . .
C10 C11 C12 C14 54.1(3) . .
C6 C11 C12 C14 -126.1(2) . .
C8 C7 C15 C16 -61.2(3) . .
C6 C7 C15 C16 116.4(2) . .
C8 C7 C15 C17 61.2(3) . .
C6 C7 C15 C17 -121.2(2) . .
C4 N2 C18 C23 80.0(3) . .
Si1 N2 C18 C23 -94.0(2) . .
C4 N2 C18 C19 -100.2(3) . .
Si1 N2 C18 C19 85.8(2) . .
C23 C18 C19 C20 -1.8(4) . .
N2 C18 C19 C20 178.4(2) . .
C23 C18 C19 C27 177.6(2) . .
N2 C18 C19 C27 -2.2(4) . .
C18 C19 C20 C21 -0.1(4) . .
C27 C19 C20 C21 -179.5(3) . .
C19 C20 C21 C22 1.6(4) . .
C20 C21 C22 C23 -1.4(5) . .
C21 C22 C23 C18 -0.4(4) . .
C21 C22 C23 C24 177.7(3) . .
C19 C18 C23 C22 2.1(4) . .
N2 C18 C23 C22 -178.1(2) . .
C19 C18 C23 C24 -176.0(2) . .
N2 C18 C23 C24 3.8(3) . .
C22 C23 C24 C25 55.1(3) . .
C18 C23 C24 C25 -126.9(3) . .
C22 C23 C24 C26 -68.4(3) . .
C18 C23 C24 C26 109.7(3) . .
C18 C19 C27 C29 116.2(3) . .
C20 C19 C27 C29 -64.4(3) . .
C18 C19 C27 C28 -120.0(3) . .
C20 C19 C27 C28 59.5(3) . .
N2 Si1 C30 C31 103.67(18) . .
N1 Si1 C30 C31 -108.06(17) . .
N2 Si1 C31 C30 -109.81(17) . .
N1 Si1 C31 C30 106.59(17) . .
F5 C32 C33 F4 2.2(3) . .
C54 C32 C33 F4 -179.9(2) . .
F5 C32 C33 C34 -176.8(2) . .
C54 C32 C33 C34 1.1(4) . .
F4 C33 C34 F3 0.0(4) . .
C32 C33 C34 F3 179.0(2) . .
F4 C33 C34 C35 -178.8(2) . .
C32 C33 C34 C35 0.2(4) . .
F3 C34 C35 F2 -0.5(4) . .
C33 C34 C35 F2 178.3(2) . .
F3 C34 C35 C36 -179.4(2) . .
C33 C34 C35 C36 -0.5(4) . .
F2 C35 C36 F1 -0.1(3) . .
C34 C35 C36 F1 178.8(2) . .
F2 C35 C36 C54 -179.2(2) . .
C34 C35 C36 C54 -0.3(4) . .
F6 C37 C38 F7 1.1(3) . .
C42 C37 C38 F7 -178.9(2) . .
F6 C37 C38 C39 -178.6(2) . .
C42 C37 C38 C39 1.3(4) . .
F7 C38 C39 F8 -1.2(3) . .
C37 C38 C39 F8 178.5(2) . .
F7 C38 C39 C40 178.4(2) . .
C37 C38 C39 C40 -1.8(4) . .
F8 C39 C40 F9 1.1(3) . .
C38 C39 C40 F9 -178.6(2) . .
F8 C39 C40 C41 -178.9(2) . .
C38 C39 C40 C41 1.4(4) . .
F9 C40 C41 F10 1.3(3) . .
C39 C40 C41 F10 -178.74(19) . .
F9 C40 C41 C42 179.6(2) . .
C39 C40 C41 C42 -0.4(4) . .
F10 C41 C42 C37 178.09(18) . .
C40 C41 C42 C37 -0.1(3) . .
F10 C41 C42 B1 3.3(3) . .
C40 C41 C42 B1 -175.0(2) . .
F6 C37 C42 C41 179.62(19) . .
C38 C37 C42 C41 -0.3(3) . .
F6 C37 C42 B1 -5.1(3) . .
C38 C37 C42 B1 174.9(2) . .
C1 B1 C42 C41 111.9(2) . .
C43 B1 C42 C41 -15.5(3) . .
C54 B1 C42 C41 -130.6(2) . .
C1 B1 C42 C37 -62.6(2) . .
C43 B1 C42 C37 170.08(18) . .
C54 B1 C42 C37 54.9(3) . .
C1 B1 C43 C44 3.1(3) . .
C42 B1 C43 C44 126.3(2) . .
C54 B1 C43 C44 -112.9(2) . .
C1 B1 C43 C48 177.53(18) . .
C42 B1 C43 C48 -59.3(2) . .
C54 B1 C43 C48 61.5(2) . .
C48 C43 C44 F15 179.31(17) . .
B1 C43 C44 F15 -5.9(3) . .
C48 C43 C44 C45 0.3(3) . .
B1 C43 C44 C45 175.0(2) . .
F15 C44 C45 F14 1.5(3) . .
C43 C44 C45 F14 -179.44(19) . .
F15 C44 C45 C46 -178.11(19) . .
C43 C44 C45 C46 1.0(3) . .
F14 C45 C46 F13 -1.2(3) . .
C44 C45 C46 F13 178.4(2) . .
F14 C45 C46 C47 179.45(19) . .
C44 C45 C46 C47 -1.0(3) . .
F13 C46 C47 F12 0.3(3) . .
C45 C46 C47 F12 179.7(2) . .
F13 C46 C47 C48 -179.6(2) . .
C45 C46 C47 C48 -0.2(3) . .
F12 C47 C48 F11 0.3(3) . .
C46 C47 C48 F11 -179.75(19) . .
F12 C47 C48 C43 -178.25(19) . .
C46 C47 C48 C43 1.7(3) . .
C44 C43 C48 F11 179.84(17) . .
B1 C43 C48 F11 4.7(3) . .
C44 C43 C48 C47 -1.6(3) . .
B1 C43 C48 C47 -176.8(2) . .
C51 C49 C50 C51 -1.2(11) 2 .
C49 C50 C51 C49 1.1(10) . 2
C49 C50 C51 C52 179.1(7) . .
F5 C32 C54 C36 176.0(2) . .
C33 C32 C54 C36 -1.8(3) . .
F5 C32 C54 B1 0.8(3) . .
C33 C32 C54 B1 -177.0(2) . .
F1 C36 C54 C32 -177.63(19) . .
C35 C36 C54 C32 1.4(3) . .
F1 C36 C54 B1 -2.7(3) . .
C35 C36 C54 B1 176.3(2) . .
C1 B1 C54 C32 -50.0(3) . .
C43 B1 C54 C32 71.4(2) . .
C42 B1 C54 C32 -167.46(19) . .
C1 B1 C54 C36 135.5(2) . .
C43 B1 C54 C36 -103.1(2) . .
C42 B1 C54 C36 18.0(3) . .
