#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:00:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178733 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/44/4084471.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_4084471
loop_
_publ_author_name
'Laskowski, Nadine'
'Junold, Konstantin'
'Kupper, Claudia'
'Baus, Johannes A.'
'Burschka, Christian'
'Tacke, Reinhold'
_publ_section_title
;
 Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II):
 Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6141
_journal_paper_doi               10.1021/om500787k
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C34 H46 N4 Si, 0.5 (C6 H14)'
_chemical_formula_sum            'C37 H53 N4 Si'
_chemical_formula_weight         581.92
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                102.166(17)
_cell_angle_beta                 96.417(13)
_cell_angle_gamma                97.500(11)
_cell_formula_units_Z            2
_cell_length_a                   9.855(2)
_cell_length_b                   11.276(3)
_cell_length_c                   16.260(4)
_cell_measurement_reflns_used    6668
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      2.31
_cell_volume                     1733.0(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP & POV-Ray'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18200
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_min         2.507
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.115
_exptl_crystal_description       block
_exptl_crystal_F_000             634
_exptl_crystal_size_max          0.452
_exptl_crystal_size_mid          0.408
_exptl_crystal_size_min          0.322
_refine_diff_density_max         0.410
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         6757
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0503P)²+0.5533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1196
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5109
_reflns_number_total             6757
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om500787k_si_002.cif
_cod_data_source_block           LAS26B
_cod_depositor_comments
'Adding full bibliography for 4084466--4084473.cif.'
_cod_database_code               4084471
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.957
_shelx_estimated_absorpt_t_max   0.969
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si 0.30623(6) 0.13335(4) 0.21927(3) 0.03246(15) Uani 1 1 d . . . . .
N1 N 0.46834(16) 0.09604(12) 0.24486(9) 0.0308(4) Uani 1 1 d . . . . .
N2 N 0.36970(15) -0.04077(12) 0.31482(9) 0.0281(3) Uani 1 1 d . . . . .
N3 N 0.22840(15) 0.21732(12) 0.29740(10) 0.0315(4) Uani 1 1 d . . . . .
N4 N 0.38961(15) 0.38535(12) 0.30471(11) 0.0334(4) Uani 1 1 d . . . . .
C1 C 0.47294(19) -0.00824(14) 0.27867(11) 0.0278(4) Uani 1 1 d . . . . .
C2 C 0.58937(18) -0.07895(14) 0.26279(11) 0.0286(4) Uani 1 1 d . . . . .
C3 C 0.6018(2) -0.13553(15) 0.17999(12) 0.0322(4) Uani 1 1 d . . . . .
H3 H 0.5371 -0.1279 0.1342 0.039 Uiso 1 1 calc R U . . .
C4 C 0.7078(2) -0.20305(16) 0.16338(13) 0.0370(5) Uani 1 1 d . . . . .
H4 H 0.7153 -0.2415 0.1065 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8020(2) -0.21431(17) 0.22942(14) 0.0390(5) Uani 1 1 d . . . . .
H5 H 0.8752 -0.2598 0.2181 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7901(2) -0.15963(17) 0.31183(14) 0.0392(5) Uani 1 1 d . . . . .
H6 H 0.8551 -0.1675 0.3573 0.047 Uiso 1 1 calc R U . . .
C7 C 0.68366(19) -0.09310(16) 0.32880(13) 0.0342(4) Uani 1 1 d . . . . .
H7 H 0.6752 -0.0570 0.3859 0.041 Uiso 1 1 calc R U . . .
C8 C 0.5943(2) 0.18915(16) 0.25334(13) 0.0413(5) Uani 1 1 d . . . . .
H8 H 0.5588 0.2625 0.2389 0.050 Uiso 1 1 calc R U . . .
C9 C 0.6919(2) 0.15566(19) 0.19030(15) 0.0473(5) Uani 1 1 d . . . . .
H9A H 0.7575 0.2289 0.1902 0.071 Uiso 1 1 calc R U . . .
H9B H 0.6391 0.1235 0.1334 0.071 Uiso 1 1 calc R U . . .
H9C H 0.7427 0.0929 0.2063 0.071 Uiso 1 1 calc R U . . .
C10 C 0.6611(2) 0.23234(17) 0.34499(13) 0.0427(5) Uani 1 1 d . . . . .
H10A H 0.7369 0.3002 0.3500 0.064 Uiso 1 1 calc R U . . .
H10B H 0.6977 0.1643 0.3640 0.064 Uiso 1 1 calc R U . . .
H10C H 0.5922 0.2605 0.3804 0.064 Uiso 1 1 calc R U . . .
C11 C 0.34953(19) -0.16053(14) 0.33799(11) 0.0283(4) Uani 1 1 d . . . . .
H11 H 0.4266 -0.2062 0.3220 0.034 Uiso 1 1 calc R U . . .
C12 C 0.2130(2) -0.23264(16) 0.28935(13) 0.0371(5) Uani 1 1 d . . . . .
H12A H 0.1932 -0.3099 0.3075 0.056 Uiso 1 1 calc R U . . .
H12B H 0.2187 -0.2505 0.2283 0.056 Uiso 1 1 calc R U . . .
H12C H 0.1388 -0.1841 0.3008 0.056 Uiso 1 1 calc R U . . .
C13 C 0.3477(2) -0.14033(17) 0.43253(13) 0.0460(5) Uani 1 1 d . . . . .
H13A H 0.3310 -0.2199 0.4479 0.069 Uiso 1 1 calc R U . . .
H13B H 0.2739 -0.0933 0.4483 0.069 Uiso 1 1 calc R U . . .
H13C H 0.4370 -0.0946 0.4628 0.069 Uiso 1 1 calc R U . . .
C14 C 0.26819(18) 0.34561(14) 0.31730(12) 0.0301(4) Uani 1 1 d . . . . .
C15 C 0.16209(18) 0.42418(14) 0.34259(12) 0.0284(4) Uani 1 1 d . . . . .
C16 C 0.17904(19) 0.50688(15) 0.42101(12) 0.0325(4) Uani 1 1 d . . . . .
H16 H 0.2589 0.5126 0.4611 0.039 Uiso 1 1 calc R U . . .
C17 C 0.0804(2) 0.58085(16) 0.44103(12) 0.0360(5) Uani 1 1 d . . . . .
H17 H 0.0926 0.6366 0.4949 0.043 Uiso 1 1 calc R U . . .
C18 C -0.0352(2) 0.57398(16) 0.38322(13) 0.0368(5) Uani 1 1 d . . . . .
H18 H -0.1032 0.6243 0.3974 0.044 Uiso 1 1 calc R U . . .
C19 C -0.05214(19) 0.49425(16) 0.30499(13) 0.0340(4) Uani 1 1 d . . . . .
H19 H -0.1310 0.4908 0.2647 0.041 Uiso 1 1 calc R U . . .
C20 C 0.04546(18) 0.41873(15) 0.28462(12) 0.0309(4) Uani 1 1 d . . . . .
H20 H 0.0324 0.3630 0.2307 0.037 Uiso 1 1 calc R U . . .
C21 C 0.15585(19) 0.15527(17) 0.35633(14) 0.0407(5) Uani 1 1 d . . . . .
H21 H 0.1599 0.0658 0.3363 0.049 Uiso 1 1 calc R U . . .
C22 C 0.0044(2) 0.16463(18) 0.35274(17) 0.0511(6) Uani 1 1 d . . . . .
H22A H -0.0398 0.1069 0.3828 0.077 Uiso 1 1 calc R U . . .
H22B H -0.0393 0.1446 0.2933 0.077 Uiso 1 1 calc R U . . .
H22C H -0.0063 0.2485 0.3798 0.077 Uiso 1 1 calc R U . . .
C23 C 0.2348(2) 0.19239(19) 0.44517(14) 0.0489(6) Uani 1 1 d . . . . .
H23A H 0.1915 0.1431 0.4810 0.073 Uiso 1 1 calc R U . . .
H23B H 0.2334 0.2796 0.4688 0.073 Uiso 1 1 calc R U . . .
H23C H 0.3307 0.1786 0.4434 0.073 Uiso 1 1 calc R U . . .
C24 C 0.43492(19) 0.51678(15) 0.31017(13) 0.0346(4) Uani 1 1 d . . . . .
H24 H 0.3563 0.5632 0.3204 0.041 Uiso 1 1 calc R U . . .
C25 C 0.4839(2) 0.53084(18) 0.22732(16) 0.0540(6) Uani 1 1 d . . . . .
H25A H 0.5215 0.6172 0.2317 0.081 Uiso 1 1 calc R U . . .
H25B H 0.4059 0.5044 0.1811 0.081 Uiso 1 1 calc R U . . .
H25C H 0.5560 0.4800 0.2155 0.081 Uiso 1 1 calc R U . . .
C26 C 0.5521(2) 0.56334(18) 0.38319(16) 0.0527(6) Uani 1 1 d . . . . .
H26A H 0.5891 0.6490 0.3850 0.079 Uiso 1 1 calc R U . . .
H26B H 0.6255 0.5129 0.3751 0.079 Uiso 1 1 calc R U . . .
H26C H 0.5176 0.5583 0.4368 0.079 Uiso 1 1 calc R U . . .
C27 C 0.1512(5) 0.0032(3) 0.1655(3) 0.0223(10) Uani 0.518(4) 1 d . . P A 1
H27 H 0.1046 -0.0343 0.2076 0.027 Uiso 0.518(4) 1 calc R U P A 1
C28 C 0.2036(4) -0.0899(3) 0.1009(2) 0.0288(10) Uani 0.518(4) 1 d . . P A 1
H28 H 0.1768 -0.1737 0.1015 0.035 Uiso 0.518(4) 1 calc R U P A 1
C29 C 0.2829(7) -0.0679(5) 0.0433(4) 0.0309(12) Uani 0.518(4) 1 d . . P A 1
H29 H 0.3015 -0.1401 0.0072 0.037 Uiso 0.518(4) 1 calc R U P A 1
C30 C 0.3471(10) 0.0459(8) 0.0247(4) 0.0344(16) Uani 0.518(4) 1 d . . P A 1
H30 H 0.3987 0.0341 -0.0215 0.041 Uiso 0.518(4) 1 calc R U P A 1
C31 C 0.3462(4) 0.1647(5) 0.0614(3) 0.0335(10) Uani 0.518(4) 1 d . . P A 1
H31 H 0.4004 0.2238 0.0397 0.040 Uiso 0.518(4) 1 calc R U P A 1
C32 C 0.2702(5) 0.2143(4) 0.1320(3) 0.0276(10) Uani 0.518(4) 1 d . . P A 1
H32 H 0.2948 0.3055 0.1521 0.033 Uiso 0.518(4) 1 calc R U P A 1
C33 C 0.1160(7) 0.1739(5) 0.1013(4) 0.0313(12) Uani 0.518(4) 1 d . . P A 1
H33 H 0.0637 0.2211 0.0718 0.038 Uiso 0.518(4) 1 calc R U P A 1
C34 C 0.0581(7) 0.0703(7) 0.1177(5) 0.0289(13) Uani 0.518(4) 1 d . . P A 1
H34 H -0.0375 0.0394 0.1002 0.035 Uiso 0.518(4) 1 calc R U P A 1
C27B C 0.2160(5) -0.0159(4) 0.1490(3) 0.0216(10) Uani 0.482(4) 1 d . . P A 2
H27B H 0.2274 -0.0871 0.1754 0.026 Uiso 0.482(4) 1 calc R U P A 2
C28B C 0.0670(5) -0.0037(5) 0.1285(3) 0.0281(10) Uani 0.482(4) 1 d . . P A 2
H28B H 0.0013 -0.0673 0.1378 0.034 Uiso 0.482(4) 1 calc R U P A 2
C29B C 0.0147(7) 0.0858(8) 0.0986(5) 0.0305(16) Uani 0.482(4) 1 d . . P A 2
H29B H -0.0834 0.0734 0.0872 0.037 Uiso 0.482(4) 1 calc R U P A 2
C30B C 0.0824(7) 0.1990(6) 0.0804(4) 0.0310(12) Uani 0.482(4) 1 d . . P A 2
H30B H 0.0199 0.2456 0.0581 0.037 Uiso 0.482(4) 1 calc R U P A 2
C31B C 0.2140(4) 0.2491(3) 0.0891(2) 0.0280(10) Uani 0.482(4) 1 d . . P A 2
H31B H 0.2314 0.3269 0.0754 0.034 Uiso 0.482(4) 1 calc R U P A 2
C32B C 0.3390(5) 0.1969(4) 0.1181(3) 0.0224(10) Uani 0.482(4) 1 d . . P A 2
H32B H 0.4265 0.2571 0.1278 0.027 Uiso 0.482(4) 1 calc R U P A 2
C33B C 0.3435(9) 0.0800(8) 0.0532(5) 0.0263(15) Uani 0.482(4) 1 d . . P A 2
H33B H 0.3877 0.0807 0.0043 0.032 Uiso 0.482(4) 1 calc R U P A 2
C34B C 0.2822(7) -0.0240(5) 0.0686(4) 0.0276(13) Uani 0.482(4) 1 d . . P A 2
H34B H 0.2799 -0.1008 0.0304 0.033 Uiso 0.482(4) 1 calc R U P A 2
C35 C -0.0776(11) 0.4877(10) -0.0133(7) 0.093(3) Uani 0.499(10) 1 d . U P B 1
H35A H -0.1050 0.5633 -0.0274 0.111 Uiso 0.499(10) 1 calc R U P B 1
H35B H -0.0975 0.4230 -0.0666 0.111 Uiso 0.499(10) 1 calc R U P B 1
C36 C -0.1687(10) 0.4505(8) 0.0453(6) 0.107(3) Uani 0.499(10) 1 d . U P B 1
H36A H -0.1430 0.3732 0.0574 0.129 Uiso 0.499(10) 1 calc R U P B 1
H36B H -0.1448 0.5135 0.0994 0.129 Uiso 0.499(10) 1 calc R U P B 1
C37 C -0.306(3) 0.4323(19) 0.0259(13) 0.126(7) Uani 0.499(10) 1 d . U P B 1
H37A H -0.3391 0.3451 0.0003 0.189 Uiso 0.499(10) 1 calc R U P B 1
H37B H -0.3322 0.4815 -0.0146 0.189 Uiso 0.499(10) 1 calc R U P B 1
H37C H -0.3474 0.4570 0.0776 0.189 Uiso 0.499(10) 1 calc R U P B 1
C35B C -0.0581(12) 0.4965(11) 0.0223(7) 0.095(3) Uani 0.501(10) 1 d . U P B 2
H35C H -0.0796 0.5804 0.0419 0.114 Uiso 0.501(10) 1 calc R U P B 2
H35D H -0.0336 0.4646 0.0733 0.114 Uiso 0.501(10) 1 calc R U P B 2
C36B C -0.1862(9) 0.4152(8) -0.0307(6) 0.111(4) Uani 0.501(10) 1 d . U P B 2
H36C H -0.1648 0.3306 -0.0448 0.134 Uiso 0.501(10) 1 calc R U P B 2
H36D H -0.2008 0.4417 -0.0849 0.134 Uiso 0.501(10) 1 calc R U P B 2
C37B C -0.325(2) 0.4084(16) 0.0044(12) 0.101(4) Uani 0.501(10) 1 d . U P B 2
H37D H -0.3960 0.3504 -0.0373 0.152 Uiso 0.501(10) 1 calc R U P B 2
H37E H -0.3533 0.4899 0.0151 0.152 Uiso 0.501(10) 1 calc R U P B 2
H37F H -0.3153 0.3805 0.0576 0.152 Uiso 0.501(10) 1 calc R U P 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'
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
N3 Si N1 119.91(7) . .
N3 Si C32 100.03(17) . .
N1 Si C32 121.42(17) . .
N3 Si C27B 121.96(17) . .
N1 Si C27B 100.56(17) . .
N3 Si C27 99.82(16) . .
N1 Si C27 119.84(15) . .
C32 Si C27 89.82(17) . .
N3 Si C32B 119.46(16) . .
N1 Si C32B 98.96(16) . .
C27B Si C32B 89.88(18) . .
C1 N1 C8 121.17(16) . .
C1 N1 Si 116.78(12) . .
C8 N1 Si 119.85(12) . .
C1 N2 C11 121.40(15) . .
C14 N3 C21 120.75(16) . .
C14 N3 Si 116.76(12) . .
C21 N3 Si 120.25(12) . .
C14 N4 C24 121.33(15) . .
N2 C1 N1 116.50(16) . .
N2 C1 C2 125.15(14) . .
N1 C1 C2 118.08(14) . .
C7 C2 C3 118.66(17) . .
C7 C2 C1 121.90(17) . .
C3 C2 C1 119.41(16) . .
C4 C3 C2 120.72(18) . .
C5 C4 C3 119.93(19) . .
C6 C5 C4 119.92(19) . .
C5 C6 C7 120.36(19) . .
C6 C7 C2 120.39(19) . .
N1 C8 C9 115.04(16) . .
N1 C8 C10 110.93(15) . .
C9 C8 C10 115.14(18) . .
N2 C11 C13 109.26(14) . .
N2 C11 C12 107.94(14) . .
C13 C11 C12 110.66(16) . .
N4 C14 N3 116.48(16) . .
N4 C14 C15 125.06(15) . .
N3 C14 C15 118.14(15) . .
C20 C15 C16 118.68(17) . .
C20 C15 C14 119.08(17) . .
C16 C15 C14 122.17(16) . .
C17 C16 C15 120.45(18) . .
C18 C17 C16 120.31(18) . .
C19 C18 C17 119.86(18) . .
C18 C19 C20 120.26(18) . .
C19 C20 C15 120.42(18) . .
N3 C21 C22 114.64(16) . .
N3 C21 C23 110.99(15) . .
C22 C21 C23 113.66(19) . .
N4 C24 C25 108.56(16) . .
N4 C24 C26 108.14(14) . .
C25 C24 C26 110.37(18) . .
C28 C27 C34 107.8(4) . .
C28 C27 Si 108.0(3) . .
C34 C27 Si 102.2(3) . .
C29 C28 C27 127.3(4) . .
C28 C29 C30 132.4(5) . .
C31 C30 C29 131.5(6) . .
C30 C31 C32 127.7(5) . .
C31 C32 C33 108.0(4) . .
C31 C32 Si 108.1(3) . .
C33 C32 Si 104.1(3) . .
C34 C33 C32 117.0(4) . .
C33 C34 C27 116.9(5) . .
C28B C27B C34B 108.5(4) . .
C28B C27B Si 107.5(3) . .
C34B C27B Si 103.6(3) . .
C29B C28B C27B 128.2(4) . .
C28B C29B C30B 131.3(5) . .
C31B C30B C29B 132.5(5) . .
C30B C31B C32B 127.6(4) . .
C31B C32B C33B 107.7(5) . .
C31B C32B Si 108.8(4) . .
C33B C32B Si 101.7(4) . .
C34B C33B C32B 116.3(6) . .
C33B C34B C27B 117.9(5) . .
C36 C35 C35 119.6(13) . 2_565
C37 C36 C35 121.7(13) . .
C35B C35B C36B 113.4(13) 2_565 .
C35B C36B C37B 120.3(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si N3 1.7318(17) .
Si N1 1.7329(17) .
Si C32 1.868(4) .
Si C27B 1.871(4) .
Si C27 1.957(4) .
Si C32B 1.970(5) .
N1 C1 1.403(2) .
N1 C8 1.491(2) .
N2 C1 1.281(2) .
N2 C11 1.4717(19) .
N3 C14 1.406(2) .
N3 C21 1.491(2) .
N4 C14 1.276(2) .
N4 C24 1.472(2) .
C1 C2 1.496(3) .
C2 C7 1.389(3) .
C2 C3 1.389(3) .
C3 C4 1.388(3) .
C4 C5 1.377(3) .
C5 C6 1.377(3) .
C6 C7 1.386(3) .
C8 C9 1.507(3) .
C8 C10 1.511(3) .
C11 C13 1.508(3) .
C11 C12 1.517(3) .
C14 C15 1.494(3) .
C15 C20 1.389(2) .
C15 C16 1.391(3) .
C16 C17 1.383(3) .
C17 C18 1.377(3) .
C18 C19 1.373(3) .
C19 C20 1.388(3) .
C21 C22 1.505(3) .
C21 C23 1.509(3) .
C24 C25 1.513(3) .
C24 C26 1.514(3) .
C27 C28 1.506(5) .
C27 C34 1.512(6) .
C28 C29 1.327(8) .
C29 C30 1.460(12) .
C30 C31 1.348(8) .
C31 C32 1.491(6) .
C32 C33 1.522(8) .
C33 C34 1.324(10) .
C27B C28B 1.500(6) .
C27B C34B 1.516(8) .
C28B C29B 1.345(8) .
C29B C30B 1.463(11) .
C30B C31B 1.324(8) .
C31B C32B 1.504(6) .
C32B C33B 1.515(7) .
C33B C34B 1.332(12) .
C35 C36 1.467(15) .
C35 C35 1.51(2) 2_565
C36 C37 1.33(2) .
C35B C35B 1.43(2) 2_565
C35B C36B 1.516(16) .
C36B C37B 1.54(2) .
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
N3 Si N1 C1 83.32(14) .
C32 Si N1 C1 -150.74(18) .
C27B Si N1 C1 -53.43(18) .
C27 Si N1 C1 -40.5(2) .
C32B Si N1 C1 -144.99(18) .
N3 Si N1 C8 -80.01(15) .
C32 Si N1 C8 45.9(2) .
C27B Si N1 C8 143.23(18) .
C27 Si N1 C8 156.16(18) .
C32B Si N1 C8 51.67(19) .
N1 Si N3 C14 82.52(14) .
C32 Si N3 C14 -52.91(18) .
C27B Si N3 C14 -150.03(18) .
C27 Si N3 C14 -144.47(17) .
C32B Si N3 C14 -39.6(2) .
N1 Si N3 C21 -80.63(14) .
C32 Si N3 C21 143.94(18) .
C27B Si N3 C21 46.8(2) .
C27 Si N3 C21 52.38(18) .
C32B Si N3 C21 157.29(19) .
C11 N2 C1 N1 168.18(15) .
C11 N2 C1 C2 -5.7(3) .
C8 N1 C1 N2 139.48(17) .
Si N1 C1 N2 -23.6(2) .
C8 N1 C1 C2 -46.2(2) .
Si N1 C1 C2 150.70(13) .
N2 C1 C2 C7 -67.5(2) .
N1 C1 C2 C7 118.70(18) .
N2 C1 C2 C3 110.5(2) .
N1 C1 C2 C3 -63.3(2) .
C7 C2 C3 C4 -1.1(2) .
C1 C2 C3 C4 -179.19(15) .
C2 C3 C4 C5 -0.1(3) .
C3 C4 C5 C6 0.7(3) .
C4 C5 C6 C7 0.0(3) .
C5 C6 C7 C2 -1.2(3) .
C3 C2 C7 C6 1.7(2) .
C1 C2 C7 C6 179.76(15) .
C1 N1 C8 C9 80.4(2) .
Si N1 C8 C9 -117.00(17) .
C1 N1 C8 C10 -52.5(2) .
Si N1 C8 C10 110.11(16) .
C1 N2 C11 C13 121.01(19) .
C1 N2 C11 C12 -118.60(19) .
C24 N4 C14 N3 170.21(16) .
C24 N4 C14 C15 -3.2(3) .
C21 N3 C14 N4 135.59(18) .
Si N3 C14 N4 -27.5(2) .
C21 N3 C14 C15 -50.6(2) .
Si N3 C14 C15 146.38(14) .
N4 C14 C15 C20 110.9(2) .
N3 C14 C15 C20 -62.4(2) .
N4 C14 C15 C16 -66.1(3) .
N3 C14 C15 C16 120.58(18) .
C20 C15 C16 C17 0.9(2) .
C14 C15 C16 C17 177.94(15) .
C15 C16 C17 C18 -0.4(2) .
C16 C17 C18 C19 -0.7(3) .
C17 C18 C19 C20 1.3(3) .
C18 C19 C20 C15 -0.9(3) .
C16 C15 C20 C19 -0.2(2) .
C14 C15 C20 C19 -177.36(15) .
C14 N3 C21 C22 78.0(2) .
Si N3 C21 C22 -119.51(17) .
C14 N3 C21 C23 -52.4(2) .
Si N3 C21 C23 110.04(16) .
C14 N4 C24 C25 -124.1(2) .
C14 N4 C24 C26 116.1(2) .
C34 C27 C28 C29 63.3(7) .
Si C27 C28 C29 -46.4(6) .
C27 C28 C29 C30 2.1(11) .
C28 C29 C30 C31 0.7(15) .
C29 C30 C31 C32 -3.2(14) .
C30 C31 C32 C33 -62.4(7) .
C30 C31 C32 Si 49.6(7) .
N3 Si C32 C31 172.7(3) .
N1 Si C32 C31 38.2(3) .
C27B Si C32 C31 -64.6(3) .
C27 Si C32 C31 -87.4(3) .
C32B Si C32 C31 23.5(4) .
N3 Si C32 C33 -72.7(3) .
N1 Si C32 C33 152.8(3) .
C27B Si C32 C33 50.0(4) .
C27 Si C32 C33 27.3(4) .
C32B Si C32 C33 138.2(7) .
C31 C32 C33 C34 92.6(6) .
Si C32 C33 C34 -22.1(7) .
C32 C33 C34 C27 0.3(9) .
C28 C27 C34 C33 -93.3(6) .
Si C27 C34 C33 20.4(7) .
N3 Si C27B C28B 38.2(3) .
N1 Si C27B C28B 173.8(3) .
C32 Si C27B C28B -64.0(3) .
C27 Si C27B C28B 23.9(4) .
C32B Si C27B C28B -87.1(3) .
N3 Si C27B C34B 153.0(3) .
N1 Si C27B C34B -71.4(3) .
C32 Si C27B C34B 50.7(4) .
C27 Si C27B C34B 138.7(7) .
C32B Si C27B C34B 27.7(4) .
C34B C27B C28B C29B -60.7(7) .
Si C27B C28B C29B 50.8(6) .
C27B C28B C29B C30B -3.0(12) .
C28B C29B C30B C31B -1.4(14) .
C29B C30B C31B C32B 3.3(11) .
C30B C31B C32B C33B 63.8(7) .
C30B C31B C32B Si -45.7(6) .
C31B C32B C33B C34B -92.6(7) .
Si C32B C33B C34B 21.6(8) .
C32B C33B C34B C27B -0.7(10) .
C28B C27B C34B C33B 92.1(7) .
Si C27B C34B C33B -21.9(7) .
C35 C35 C36 C37 177.5(15) 2_565
C35B C35B C36B C37B -173.4(12) 2_565
