#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/68/4316851.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_4316851
loop_
_publ_author_name
'S. M. Ibrahim Al-Rafia'
'Paul A. Lummis'
'Michael J. Ferguson'
'Robert McDonald'
'Eric Rivard'
_publ_contact_author_address
;
Department of Chemistry
University of Alberta
Edmonton
AB T6G 2G2
CANADA
;
_publ_contact_author_email       ERIVARD@UALBERTA.CA
_publ_contact_author_name        'E. Rivard'
_publ_section_title
;
 Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically
 Tunable Bis(amido)silyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9709
_journal_page_last               9717
_journal_paper_doi               10.1021/ic101485a
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C42 H46 N2 Si3'
_chemical_formula_sum            'C42 H46 N2 Si3'
_chemical_formula_weight         663.08
_chemical_name_common            'Compound 2'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.6950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5347(9)
_cell_length_b                   15.3080(13)
_cell_length_c                   12.1157(10)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.20
_cell_volume                     1815.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14514
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.163
_exptl_absorpt_correction_T_max  0.9709
_exptl_absorpt_correction_T_min  0.9429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.533
_refine_diff_density_min         -0.217
_refine_diff_density_rms         0.056
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.17(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         7441
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0349
_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)+(0.0608P)²+0.2229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                7063
_reflns_number_total             7441
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic101485a_si_001_02.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4316851
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Si1 Si 0.14831(5) 0.23210(3) 0.27332(4) 0.02220(11) Uani 1 1 d . . .
Si2 Si -0.11445(5) 0.35400(3) 0.13410(4) 0.02122(11) Uani 1 1 d . . .
Si3 Si 0.40477(5) 0.36664(3) 0.36862(4) 0.02113(11) Uani 1 1 d . . .
N1 N 0.00758(15) 0.29942(10) 0.24911(14) 0.0236(3) Uani 1 1 d . . .
H1N H -0.0052 0.3083 0.3160 0.028 Uiso 1 1 calc R . .
N2 N 0.29712(16) 0.28712(10) 0.28449(15) 0.0255(3) Uani 1 1 d . . .
H2N H 0.3266 0.2682 0.2296 0.031 Uiso 1 1 calc R . .
C1 C 0.1731(2) 0.17799(13) 0.42026(19) 0.0289(4) Uani 1 1 d . . .
H1 H 0.1580 0.2246 0.4719 0.035 Uiso 1 1 calc R . .
C2 C 0.0662(2) 0.10690(15) 0.4095(2) 0.0372(5) Uani 1 1 d . . .
H2A H 0.0838 0.0811 0.4878 0.056 Uiso 1 1 calc R . .
H2B H 0.0720 0.0614 0.3546 0.056 Uiso 1 1 calc R . .
H2C H -0.0253 0.1328 0.3793 0.056 Uiso 1 1 calc R . .
C3 C 0.3161(2) 0.14171(17) 0.4878(2) 0.0424(6) Uani 1 1 d . . .
H3A H 0.3191 0.1150 0.5622 0.064 Uiso 1 1 calc R . .
H3B H 0.3830 0.1893 0.5054 0.064 Uiso 1 1 calc R . .
H3C H 0.3381 0.0976 0.4390 0.064 Uiso 1 1 calc R . .
C4 C 0.1171(2) 0.15702(13) 0.14287(19) 0.0303(4) Uani 1 1 d . . .
H4 H 0.1272 0.1940 0.0786 0.036 Uiso 1 1 calc R . .
C5 C -0.0271(2) 0.11807(16) 0.0906(2) 0.0400(5) Uani 1 1 d . . .
H5A H -0.0339 0.0796 0.0240 0.060 Uiso 1 1 calc R . .
H5B H -0.0942 0.1653 0.0626 0.060 Uiso 1 1 calc R . .
H5C H -0.0453 0.0844 0.1520 0.060 Uiso 1 1 calc R . .
C6 C 0.2253(2) 0.08482(15) 0.1674(2) 0.0425(5) Uani 1 1 d . . .
H6A H 0.2039 0.0477 0.0969 0.064 Uiso 1 1 calc R . .
H6B H 0.2256 0.0493 0.2347 0.064 Uiso 1 1 calc R . .
H6C H 0.3156 0.1114 0.1861 0.064 Uiso 1 1 calc R . .
C11 C -0.12482(19) 0.47115(12) 0.17804(17) 0.0250(4) Uani 1 1 d . . .
C12 C -0.2422(2) 0.50606(13) 0.18847(19) 0.0307(4) Uani 1 1 d . . .
H12 H -0.3194 0.4695 0.1753 0.037 Uiso 1 1 calc R . .
C13 C -0.2485(2) 0.59362(15) 0.2179(2) 0.0383(5) Uani 1 1 d . . .
H13 H -0.3297 0.6163 0.2238 0.046 Uiso 1 1 calc R . .
C14 C -0.1372(2) 0.64726(15) 0.2384(2) 0.0418(5) Uani 1 1 d . . .
H14 H -0.1415 0.7069 0.2584 0.050 Uiso 1 1 calc R . .
C15 C -0.0191(3) 0.61408(16) 0.2299(2) 0.0446(6) Uani 1 1 d . . .
H15 H 0.0580 0.6509 0.2444 0.054 Uiso 1 1 calc R . .
C16 C -0.0128(2) 0.52729(15) 0.2004(2) 0.0372(5) Uani 1 1 d . . .
H16 H 0.0690 0.5053 0.1951 0.045 Uiso 1 1 calc R . .
C21 C -0.28833(18) 0.30383(13) 0.09812(17) 0.0238(4) Uani 1 1 d . . .
C22 C -0.4035(2) 0.33701(13) 0.00625(18) 0.0296(4) Uani 1 1 d . . .
H22 H -0.3938 0.3872 -0.0361 0.036 Uiso 1 1 calc R . .
C23 C -0.5311(2) 0.29846(16) -0.0243(2) 0.0373(5) Uani 1 1 d . . .
H23 H -0.6066 0.3209 -0.0888 0.045 Uiso 1 1 calc R . .
C24 C -0.5487(2) 0.22729(17) 0.0393(2) 0.0396(5) Uani 1 1 d . . .
H24 H -0.6361 0.2011 0.0194 0.048 Uiso 1 1 calc R . .
C25 C -0.4374(2) 0.19487(16) 0.1321(2) 0.0394(5) Uani 1 1 d . . .
H25 H -0.4490 0.1468 0.1770 0.047 Uiso 1 1 calc R . .
C26 C -0.3089(2) 0.23163(14) 0.16034(17) 0.0303(4) Uani 1 1 d . . .
H26 H -0.2335 0.2073 0.2232 0.036 Uiso 1 1 calc R . .
C31 C -0.06656(18) 0.35288(12) -0.00063(15) 0.0233(3) Uani 1 1 d . . .
C32 C -0.1602(2) 0.33218(13) -0.11546(18) 0.0294(4) Uani 1 1 d . . .
H32 H -0.2496 0.3133 -0.1250 0.035 Uiso 1 1 calc R . .
C33 C -0.1250(2) 0.33868(14) -0.21409(19) 0.0335(4) Uani 1 1 d . . .
H33 H -0.1901 0.3247 -0.2904 0.040 Uiso 1 1 calc R . .
C34 C 0.0048(2) 0.36550(14) -0.20241(19) 0.0334(4) Uani 1 1 d . . .
H34 H 0.0290 0.3703 -0.2703 0.040 Uiso 1 1 calc R . .
C35 C 0.0998(2) 0.38544(14) -0.0897(2) 0.0335(5) Uani 1 1 d . . .
H35 H 0.1894 0.4033 -0.0807 0.040 Uiso 1 1 calc R . .
C36 C 0.0640(2) 0.37934(14) 0.00821(18) 0.0315(4) Uani 1 1 d . . .
H36 H 0.1298 0.3935 0.0841 0.038 Uiso 1 1 calc R . .
C41 C 0.58656(19) 0.32859(13) 0.41466(16) 0.0236(4) Uani 1 1 d . . .
C42 C 0.6915(2) 0.38777(13) 0.42598(18) 0.0287(4) Uani 1 1 d . . .
H42 H 0.6696 0.4476 0.4080 0.034 Uiso 1 1 calc R . .
C43 C 0.8273(2) 0.36140(16) 0.46291(18) 0.0341(4) Uani 1 1 d . . .
H43 H 0.8968 0.4029 0.4695 0.041 Uiso 1 1 calc R . .
C44 C 0.8610(2) 0.27476(16) 0.48991(18) 0.0344(5) Uani 1 1 d . . .
H44 H 0.9538 0.2567 0.5164 0.041 Uiso 1 1 calc R . .
C45 C 0.7596(2) 0.21434(15) 0.47839(19) 0.0356(5) Uani 1 1 d . . .
H45 H 0.7825 0.1546 0.4962 0.043 Uiso 1 1 calc R . .
C46 C 0.6239(2) 0.24094(14) 0.44068(18) 0.0304(4) Uani 1 1 d . . .
H46 H 0.5550 0.1987 0.4324 0.037 Uiso 1 1 calc R . .
C51 C 0.38917(18) 0.46928(12) 0.27928(17) 0.0229(4) Uani 1 1 d . . .
C52 C 0.3995(2) 0.46456(13) 0.16799(19) 0.0314(4) Uani 1 1 d . . .
H52 H 0.4151 0.4094 0.1394 0.038 Uiso 1 1 calc R . .
C53 C 0.3875(2) 0.53814(15) 0.09768(19) 0.0351(5) Uani 1 1 d . . .
H53 H 0.3933 0.5330 0.0215 0.042 Uiso 1 1 calc R . .
C54 C 0.3670(2) 0.61962(15) 0.1397(2) 0.0353(5) Uani 1 1 d . . .
H54 H 0.3595 0.6704 0.0927 0.042 Uiso 1 1 calc R . .
C55 C 0.3577(2) 0.62597(14) 0.2497(2) 0.0344(5) Uani 1 1 d . . .
H55 H 0.3437 0.6814 0.2787 0.041 Uiso 1 1 calc R . .
C56 C 0.3688(2) 0.55171(13) 0.31873(18) 0.0289(4) Uani 1 1 d . . .
H56 H 0.3623 0.5573 0.3946 0.035 Uiso 1 1 calc R . .
C61 C 0.3661(2) 0.39753(13) 0.50290(17) 0.0267(4) Uani 1 1 d . . .
C62 C 0.4717(2) 0.41210(19) 0.6129(2) 0.0450(6) Uani 1 1 d . . .
H62 H 0.5626 0.3971 0.6223 0.054 Uiso 1 1 calc R . .
C63 C 0.4472(3) 0.4479(2) 0.7091(2) 0.0556(7) Uani 1 1 d . . .
H63 H 0.5212 0.4590 0.7817 0.067 Uiso 1 1 calc R . .
C64 C 0.3159(3) 0.46712(19) 0.6984(2) 0.0488(6) Uani 1 1 d . . .
H64 H 0.2982 0.4891 0.7646 0.059 Uiso 1 1 calc R . .
C65 C 0.2103(2) 0.45442(16) 0.5915(2) 0.0397(5) Uani 1 1 d . . .
H65 H 0.1194 0.4679 0.5839 0.048 Uiso 1 1 calc R . .
C66 C 0.2354(2) 0.42196(14) 0.4943(2) 0.0327(5) Uani 1 1 d . . .
H66 H 0.1616 0.4163 0.4201 0.039 Uiso 1 1 calc R . .
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
N1 Si1 N2 114.43(8) . . ?
N1 Si1 C4 110.30(8) . . ?
N2 Si1 C4 103.49(9) . . ?
N1 Si1 C1 103.33(8) . . ?
N2 Si1 C1 109.38(9) . . ?
C4 Si1 C1 116.31(9) . . ?
N1 Si2 C31 109.79(8) . . ?
N1 Si2 C21 111.14(8) . . ?
C31 Si2 C21 110.24(8) . . ?
N1 Si2 C11 109.67(8) . . ?
C31 Si2 C11 108.44(8) . . ?
C21 Si2 C11 107.48(8) . . ?
N2 Si3 C61 112.67(9) . . ?
N2 Si3 C41 109.48(8) . . ?
C61 Si3 C41 110.16(8) . . ?
N2 Si3 C51 110.63(8) . . ?
C61 Si3 C51 106.70(9) . . ?
C41 Si3 C51 107.02(8) . . ?
Si2 N1 Si1 139.33(10) . . ?
Si3 N2 Si1 140.09(11) . . ?
C3 C1 C2 109.54(18) . . ?
C3 C1 Si1 115.35(14) . . ?
C2 C1 Si1 112.87(15) . . ?
C5 C4 C6 110.56(18) . . ?
C5 C4 Si1 114.99(14) . . ?
C6 C4 Si1 112.98(15) . . ?
C12 C11 C16 117.29(18) . . ?
C12 C11 Si2 122.39(15) . . ?
C16 C11 Si2 120.32(15) . . ?
C13 C12 C11 121.24(19) . . ?
C14 C13 C12 120.1(2) . . ?
C13 C14 C15 119.8(2) . . ?
C14 C15 C16 120.1(2) . . ?
C15 C16 C11 121.4(2) . . ?
C26 C21 C22 116.88(17) . . ?
C26 C21 Si2 121.93(14) . . ?
C22 C21 Si2 121.19(15) . . ?
C23 C22 C21 121.7(2) . . ?
C24 C23 C22 120.1(2) . . ?
C25 C24 C23 119.1(2) . . ?
C24 C25 C26 120.8(2) . . ?
C25 C26 C21 121.3(2) . . ?
C36 C31 C32 116.70(17) . . ?
C36 C31 Si2 120.19(14) . . ?
C32 C31 Si2 122.95(14) . . ?
C33 C32 C31 121.56(18) . . ?
C32 C33 C34 120.32(19) . . ?
C33 C34 C35 119.25(19) . . ?
C36 C35 C34 120.22(19) . . ?
C35 C36 C31 121.94(19) . . ?
C42 C41 C46 116.93(18) . . ?
C42 C41 Si3 120.74(15) . . ?
C46 C41 Si3 122.32(15) . . ?
C43 C42 C41 121.73(19) . . ?
C44 C43 C42 119.9(2) . . ?
C45 C44 C43 119.89(18) . . ?
C44 C45 C46 120.0(2) . . ?
C45 C46 C41 121.6(2) . . ?
C56 C51 C52 117.11(18) . . ?
C56 C51 Si3 123.42(15) . . ?
C52 C51 Si3 119.46(15) . . ?
C53 C52 C51 121.94(19) . . ?
C52 C53 C54 119.5(2) . . ?
C55 C54 C53 119.6(2) . . ?
C54 C55 C56 120.3(2) . . ?
C55 C56 C51 121.55(19) . . ?
C66 C61 C62 116.31(19) . . ?
C66 C61 Si3 121.83(15) . . ?
C62 C61 Si3 120.91(16) . . ?
C63 C62 C61 122.0(2) . . ?
C64 C63 C62 119.8(2) . . ?
C63 C64 C65 119.7(2) . . ?
C64 C65 C66 120.5(2) . . ?
C65 C66 C61 121.6(2) . . ?
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 N1 1.7391(16) . ?
Si1 N2 1.7402(16) . ?
Si1 C4 1.882(2) . ?
Si1 C1 1.892(2) . ?
Si2 N1 1.7228(16) . ?
Si2 C31 1.8784(18) . ?
Si2 C21 1.8827(19) . ?
Si2 C11 1.885(2) . ?
Si3 N2 1.7182(16) . ?
Si3 C61 1.878(2) . ?
Si3 C41 1.8783(19) . ?
Si3 C51 1.8805(19) . ?
C1 C3 1.529(3) . ?
C1 C2 1.536(3) . ?
C4 C5 1.534(3) . ?
C4 C6 1.536(3) . ?
C11 C12 1.395(3) . ?
C11 C16 1.403(3) . ?
C12 C13 1.395(3) . ?
C13 C14 1.377(3) . ?
C14 C15 1.383(4) . ?
C15 C16 1.384(3) . ?
C21 C26 1.399(3) . ?
C21 C22 1.404(3) . ?
C22 C23 1.388(3) . ?
C23 C24 1.385(4) . ?
C24 C25 1.382(3) . ?
C25 C26 1.386(3) . ?
C31 C36 1.399(3) . ?
C31 C32 1.412(3) . ?
C32 C33 1.380(3) . ?
C33 C34 1.384(3) . ?
C34 C35 1.396(3) . ?
C35 C36 1.375(3) . ?
C41 C42 1.396(3) . ?
C41 C46 1.401(3) . ?
C42 C43 1.392(3) . ?
C43 C44 1.381(3) . ?
C44 C45 1.380(3) . ?
C45 C46 1.391(3) . ?
C51 C56 1.394(3) . ?
C51 C52 1.394(3) . ?
C52 C53 1.390(3) . ?
C53 C54 1.394(3) . ?
C54 C55 1.375(3) . ?
C55 C56 1.390(3) . ?
C61 C66 1.393(3) . ?
C61 C62 1.403(3) . ?
C62 C63 1.395(4) . ?
C63 C64 1.373(4) . ?
C64 C65 1.374(4) . ?
C65 C66 1.391(3) . ?
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
C31 Si2 N1 Si1 -11.06(17) . . . . ?
C21 Si2 N1 Si1 111.17(15) . . . . ?
C11 Si2 N1 Si1 -130.12(15) . . . . ?
N2 Si1 N1 Si2 79.89(16) . . . . ?
C4 Si1 N1 Si2 -36.30(18) . . . . ?
C1 Si1 N1 Si2 -161.28(15) . . . . ?
C61 Si3 N2 Si1 9.40(19) . . . . ?
C41 Si3 N2 Si1 132.35(15) . . . . ?
C51 Si3 N2 Si1 -109.95(16) . . . . ?
N1 Si1 N2 Si3 58.82(18) . . . . ?
C4 Si1 N2 Si3 178.88(15) . . . . ?
C1 Si1 N2 Si3 -56.53(18) . . . . ?
N1 Si1 C1 C3 -158.30(17) . . . . ?
N2 Si1 C1 C3 -36.03(19) . . . . ?
C4 Si1 C1 C3 80.71(19) . . . . ?
N1 Si1 C1 C2 74.72(16) . . . . ?
N2 Si1 C1 C2 -163.01(15) . . . . ?
C4 Si1 C1 C2 -46.27(18) . . . . ?
N1 Si1 C4 C5 -41.33(19) . . . . ?
N2 Si1 C4 C5 -164.17(16) . . . . ?
C1 Si1 C4 C5 75.87(18) . . . . ?
N1 Si1 C4 C6 -169.54(15) . . . . ?
N2 Si1 C4 C6 67.62(17) . . . . ?
C1 Si1 C4 C6 -52.34(18) . . . . ?
N1 Si2 C11 C12 -116.40(17) . . . . ?
C31 Si2 C11 C12 123.71(17) . . . . ?
C21 Si2 C11 C12 4.54(19) . . . . ?
N1 Si2 C11 C16 64.36(18) . . . . ?
C31 Si2 C11 C16 -55.52(18) . . . . ?
C21 Si2 C11 C16 -174.69(17) . . . . ?
C16 C11 C12 C13 1.1(3) . . . . ?
Si2 C11 C12 C13 -178.19(17) . . . . ?
C11 C12 C13 C14 -0.6(3) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
C13 C14 C15 C16 0.3(4) . . . . ?
C14 C15 C16 C11 0.2(4) . . . . ?
C12 C11 C16 C15 -0.9(3) . . . . ?
Si2 C11 C16 C15 178.4(2) . . . . ?
N1 Si2 C21 C26 0.12(19) . . . . ?
C31 Si2 C21 C26 122.09(16) . . . . ?
C11 Si2 C21 C26 -119.90(17) . . . . ?
N1 Si2 C21 C22 -179.26(15) . . . . ?
C31 Si2 C21 C22 -57.29(18) . . . . ?
C11 Si2 C21 C22 60.72(17) . . . . ?
C26 C21 C22 C23 -2.0(3) . . . . ?
Si2 C21 C22 C23 177.36(16) . . . . ?
C21 C22 C23 C24 2.4(3) . . . . ?
C22 C23 C24 C25 -0.8(3) . . . . ?
C23 C24 C25 C26 -1.2(3) . . . . ?
C24 C25 C26 C21 1.6(3) . . . . ?
C22 C21 C26 C25 0.1(3) . . . . ?
Si2 C21 C26 C25 -179.36(16) . . . . ?
N1 Si2 C31 C36 -51.14(17) . . . . ?
C21 Si2 C31 C36 -173.91(15) . . . . ?
C11 Si2 C31 C36 68.68(17) . . . . ?
N1 Si2 C31 C32 133.60(16) . . . . ?
C21 Si2 C31 C32 10.83(19) . . . . ?
C11 Si2 C31 C32 -106.59(17) . . . . ?
C36 C31 C32 C33 -0.7(3) . . . . ?
Si2 C31 C32 C33 174.74(16) . . . . ?
C31 C32 C33 C34 0.4(3) . . . . ?
C32 C33 C34 C35 0.3(3) . . . . ?
C33 C34 C35 C36 -0.7(3) . . . . ?
C34 C35 C36 C31 0.4(3) . . . . ?
C32 C31 C36 C35 0.3(3) . . . . ?
Si2 C31 C36 C35 -175.24(16) . . . . ?
N2 Si3 C41 C42 146.09(15) . . . . ?
C61 Si3 C41 C42 -89.48(17) . . . . ?
C51 Si3 C41 C42 26.15(18) . . . . ?
N2 Si3 C41 C46 -34.79(18) . . . . ?
C61 Si3 C41 C46 89.64(18) . . . . ?
C51 Si3 C41 C46 -154.73(16) . . . . ?
C46 C41 C42 C43 -0.8(3) . . . . ?
Si3 C41 C42 C43 178.33(15) . . . . ?
C41 C42 C43 C44 -0.3(3) . . . . ?
C42 C43 C44 C45 1.0(3) . . . . ?
C43 C44 C45 C46 -0.6(3) . . . . ?
C44 C45 C46 C41 -0.6(3) . . . . ?
C42 C41 C46 C45 1.3(3) . . . . ?
Si3 C41 C46 C45 -177.87(16) . . . . ?
N2 Si3 C51 C56 129.72(16) . . . . ?
C61 Si3 C51 C56 6.84(19) . . . . ?
C41 Si3 C51 C56 -111.08(17) . . . . ?
N2 Si3 C51 C52 -50.92(17) . . . . ?
C61 Si3 C51 C52 -173.81(15) . . . . ?
C41 Si3 C51 C52 68.28(17) . . . . ?
C56 C51 C52 C53 -1.2(3) . . . . ?
Si3 C51 C52 C53 179.41(16) . . . . ?
C51 C52 C53 C54 1.2(3) . . . . ?
C52 C53 C54 C55 -0.5(3) . . . . ?
C53 C54 C55 C56 0.0(3) . . . . ?
C54 C55 C56 C51 -0.1(3) . . . . ?
C52 C51 C56 C55 0.7(3) . . . . ?
Si3 C51 C56 C55 -179.96(15) . . . . ?
N2 Si3 C61 C66 -52.70(19) . . . . ?
C41 Si3 C61 C66 -175.27(16) . . . . ?
C51 Si3 C61 C66 68.91(18) . . . . ?
N2 Si3 C61 C62 138.83(19) . . . . ?
C41 Si3 C61 C62 16.3(2) . . . . ?
C51 Si3 C61 C62 -99.56(19) . . . . ?
C66 C61 C62 C63 0.9(4) . . . . ?
Si3 C61 C62 C63 170.0(2) . . . . ?
C61 C62 C63 C64 2.3(4) . . . . ?
C62 C63 C64 C65 -2.8(5) . . . . ?
C63 C64 C65 C66 0.3(4) . . . . ?
C64 C65 C66 C61 3.0(4) . . . . ?
C62 C61 C66 C65 -3.5(3) . . . . ?
Si3 C61 C66 C65 -172.45(18) . . . . ?
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1 ChemSpider 30661030
