#------------------------------------------------------------------------------
#$Date: 2017-03-04 03:50:55 +0200 (Sat, 04 Mar 2017) $
#$Revision: 192941 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/53/4345378.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_4345378
loop_
_publ_author_name
'Shan, Yu-Liang'
'Leong, Bi-Xiang'
'Li, Yongxin'
'Ganguly, Rakesh'
'So, Cheuk-Wai'
_publ_section_title
;
 Donor-Acceptor Stabilized Tetra(silanimine).
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1609
_journal_page_last               1615
_journal_paper_doi               10.1021/acs.inorgchem.6b02727
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C74 H114 N8 Si6'
_chemical_formula_weight         1284.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 100.459(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.722(4)
_cell_length_b                   13.144(3)
_cell_length_c                   30.205(6)
_cell_measurement_reflns_used    2878
_cell_measurement_temperature    103.(2)
_cell_measurement_theta_max      20.0387
_cell_measurement_theta_min      3.3906
_cell_volume                     7700(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2014)'
_computing_publication_material  'APEX2 (Bruker AXS Inc., 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2014)'
_diffrn_ambient_temperature      103.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1241
_diffrn_reflns_av_unetI/netI     0.0857
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            44330
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         2.71
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.153
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.108
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2792
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.510
_refine_diff_density_min         -0.492
_refine_ls_extinction_coef       0.0016(2)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         7618
_refine_ls_number_restraints     258
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.1436
_refine_ls_R_factor_gt           0.1072
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0431P)²+73.4668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2387
_refine_ls_wR_factor_ref         0.2561
_reflns_number_gt                5441
_reflns_number_total             7618
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02727_si_001.cif
_cod_data_source_block           I
_cod_original_cell_volume        7700.(3)
_cod_database_code               4345378
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8035(3) 0.8763(4) 0.15072(18) 0.0295(12) Uani d . . . 1.0 . .
C C2 0.8145(4) 0.9072(5) 0.10364(19) 0.0444(16) Uani d . . . 1.0 . .
H H2A 0.8639 0.9052 0.1026 0.067 Uiso calc U . R 1.0 . .
H H2B 0.797 0.9763 0.0969 0.067 Uiso calc U . R 1.0 . .
H H2C 0.7899 0.8598 0.0813 0.067 Uiso calc U . R 1.0 . .
C C3 0.7269(3) 0.8693(6) 0.1519(3) 0.062(2) Uani d . . . 1.0 . .
H H3A 0.7054 0.8187 0.1299 0.093 Uiso calc U . R 1.0 . .
H H3B 0.7052 0.9357 0.1445 0.093 Uiso calc U . R 1.0 . .
H H3C 0.7206 0.8488 0.1821 0.093 Uiso calc U . R 1.0 . .
C C4 0.8381(3) 0.9555(4) 0.1844(2) 0.0405(15) Uani d . . . 1.0 . .
H H4A 0.8304 0.938 0.2146 0.061 Uiso calc U . R 1.0 . .
H H4B 0.8185 1.0228 0.1759 0.061 Uiso calc U . R 1.0 . .
H H4C 0.8878 0.9567 0.1842 0.061 Uiso calc U . R 1.0 . .
C C5 0.8277(3) 0.6846(4) 0.14818(16) 0.0248(11) Uani d . . . 1.0 . .
C C6 0.7727(3) 0.6506(4) 0.11018(17) 0.0269(12) Uani d . . . 1.0 . .
C C7 0.7815(3) 0.6585(5) 0.06594(17) 0.0361(14) Uani d . . . 1.0 . .
H H7 0.8231 0.6851 0.0589 0.043 Uiso calc U . R 1.0 . .
C C8 0.7284(4) 0.6266(5) 0.0318(2) 0.0450(16) Uani d . . . 1.0 . .
H H8 0.734 0.6317 0.0013 0.054 Uiso calc U . R 1.0 . .
C C9 0.6684(3) 0.5882(5) 0.0415(2) 0.0443(16) Uani d . . . 1.0 . .
H H9 0.6325 0.5674 0.0179 0.053 Uiso calc U . R 1.0 . .
C C10 0.6599(3) 0.5796(5) 0.0855(2) 0.0435(16) Uani d . . . 1.0 . .
H H10 0.6183 0.5527 0.0923 0.052 Uiso calc U . R 1.0 . .
C C11 0.7121(3) 0.6102(5) 0.1196(2) 0.0371(14) Uani d . . . 1.0 . .
H H11 0.7064 0.6035 0.1501 0.044 Uiso calc U . R 1.0 . .
C C12 0.8958(3) 0.5185(4) 0.1703(2) 0.0426(16) Uani d . . . 1.0 . .
C C13 0.8619(10) 0.4633(11) 0.1277(6) 0.073(7) Uani d . P . 0.509(11) A 1
H H13A 0.8121 0.4588 0.127 0.11 Uiso calc U P R 0.509(11) A 1
H H13B 0.8813 0.3947 0.1275 0.11 Uiso calc U P R 0.509(11) A 1
H H13C 0.8706 0.501 0.1013 0.11 Uiso calc U P R 0.509(11) A 1
C C14 0.8871(8) 0.4626(11) 0.2125(5) 0.059(5) Uani d . P . 0.509(11) A 1
H H14A 0.9132 0.4978 0.2388 0.089 Uiso calc U P R 0.509(11) A 1
H H14B 0.9044 0.3929 0.2114 0.089 Uiso calc U P R 0.509(11) A 1
H H14C 0.8382 0.4609 0.2147 0.089 Uiso calc U P R 0.509(11) A 1
C C15 0.9763(7) 0.5241(9) 0.1693(5) 0.050(4) Uani d . P . 0.509(11) A 1
H H15A 0.9831 0.5461 0.1394 0.075 Uiso calc U P R 0.509(11) A 1
H H15B 0.997 0.4567 0.1759 0.075 Uiso calc U P R 0.509(11) A 1
H H15C 0.9983 0.5729 0.192 0.075 Uiso calc U P R 0.509(11) A 1
C C13A 0.8329(9) 0.4462(10) 0.1739(7) 0.073(6) Uani d . P . 0.491(11) A 32
H H13D 0.7968 0.4551 0.1473 0.109 Uiso calc U P R 0.491(11) A 32
H H13E 0.8144 0.4636 0.201 0.109 Uiso calc U P R 0.491(11) A 32
H H13F 0.8485 0.3753 0.1758 0.109 Uiso calc U P R 0.491(11) A 32
C C14A 0.9500(8) 0.4987(10) 0.2117(5) 0.049(4) Uani d . P . 0.491(11) A 32
H H14D 0.9665 0.4285 0.2111 0.073 Uiso calc U P R 0.491(11) A 32
H H14E 0.93 0.5093 0.2387 0.073 Uiso calc U P R 0.491(11) A 32
H H14F 0.9888 0.5456 0.2121 0.073 Uiso calc U P R 0.491(11) A 32
C C15A 0.9199(12) 0.5022(13) 0.1279(5) 0.080(7) Uani d . P . 0.491(11) A 32
H H15D 0.8809 0.5077 0.1028 0.12 Uiso calc U P R 0.491(11) A 32
H H15E 0.9404 0.4342 0.1279 0.12 Uiso calc U P R 0.491(11) A 32
H H15F 0.9546 0.5536 0.1246 0.12 Uiso calc U P R 0.491(11) A 32
C C16 0.7651(4) 0.6597(7) 0.2474(2) 0.072(3) Uani d . . . 1.0 . .
H H16A 0.7498 0.7073 0.2226 0.107 Uiso calc U . R 1.0 . .
H H16B 0.7268 0.6461 0.2632 0.107 Uiso calc U . R 1.0 . .
H H16C 0.7799 0.596 0.2354 0.107 Uiso calc U . R 1.0 . .
C C17 0.8042(4) 0.8304(7) 0.3125(2) 0.061(2) Uani d . . . 1.0 . .
H H17A 0.8413 0.8629 0.3338 0.092 Uiso calc U . R 1.0 . .
H H17B 0.7672 0.8096 0.3283 0.092 Uiso calc U . R 1.0 . .
H H17C 0.7859 0.8787 0.2886 0.092 Uiso calc U . R 1.0 . .
C C18 0.8689(5) 0.6186(6) 0.3308(2) 0.074(3) Uani d . . . 1.0 . .
H H18A 0.8792 0.5555 0.3161 0.111 Uiso calc U . R 1.0 . .
H H18B 0.8328 0.6057 0.3486 0.111 Uiso calc U . R 1.0 . .
H H18C 0.9106 0.6428 0.3508 0.111 Uiso calc U . R 1.0 . .
C C19 1.0144(3) 0.9551(4) 0.13879(16) 0.0242(11) Uani d . . . 1.0 . .
C C20 0.9968(3) 1.0600(4) 0.13955(17) 0.0291(12) Uani d . . . 1.0 . .
C C21 0.9718(3) 1.1109(5) 0.09955(19) 0.0358(14) Uani d . . . 1.0 . .
H H21 0.9587 1.1804 0.1006 0.043 Uiso calc U . R 1.0 . .
C C22 0.9654(3) 1.0629(5) 0.05853(19) 0.0413(15) Uani d . . . 1.0 . .
H H22 0.9478 1.0986 0.0316 0.05 Uiso calc U . R 1.0 . .
C C23 0.9848(3) 0.9626(5) 0.05693(18) 0.0360(14) Uani d . . . 1.0 . .
H H23 0.9818 0.9304 0.0285 0.043 Uiso calc U . R 1.0 . .
C C24 1.0087(3) 0.9074(4) 0.09581(17) 0.0288(12) Uani d . . . 1.0 . .
C C25 1.0287(3) 0.7980(4) 0.09170(19) 0.0368(14) Uani d . . . 1.0 . .
H H25 1.0465 0.7741 0.1231 0.044 Uiso calc U . R 1.0 . .
C C26 0.9683(4) 0.7308(5) 0.0738(3) 0.059(2) Uani d . . . 1.0 . .
H H26A 0.9357 0.7312 0.0947 0.089 Uiso calc U . R 1.0 . .
H H26B 0.9845 0.6612 0.0706 0.089 Uiso calc U . R 1.0 . .
H H26C 0.9453 0.7561 0.0443 0.089 Uiso calc U . R 1.0 . .
C C27 1.0874(4) 0.7856(5) 0.0665(2) 0.0546(19) Uani d . . . 1.0 . .
H H27A 1.0717 0.8036 0.0348 0.082 Uiso calc U . R 1.0 . .
H H27B 1.1031 0.7147 0.0686 0.082 Uiso calc U . R 1.0 . .
H H27C 1.1255 0.8303 0.0797 0.082 Uiso calc U . R 1.0 . .
C C28 1.0070(3) 1.1141(4) 0.18456(19) 0.0373(14) Uani d . . . 1.0 . .
H H28 0.9921 1.0661 0.2067 0.045 Uiso calc U . R 1.0 . .
C C29 0.9638(4) 1.2104(5) 0.1843(2) 0.0531(19) Uani d . . . 1.0 . .
H H29A 0.979 1.261 0.1643 0.08 Uiso calc U . R 1.0 . .
H H29B 0.9694 1.238 0.2148 0.08 Uiso calc U . R 1.0 . .
H H29C 0.9151 1.1942 0.1734 0.08 Uiso calc U . R 1.0 . .
C C30 1.0837(4) 1.1357(6) 0.2008(2) 0.0542(19) Uani d . . . 1.0 . .
H H30A 1.1098 1.0721 0.2015 0.081 Uiso calc U . R 1.0 . .
H H30B 1.0906 1.1651 0.2311 0.081 Uiso calc U . R 1.0 . .
H H30C 1.0999 1.1837 0.1801 0.081 Uiso calc U . R 1.0 . .
C C31 0.2859(10) 0.7125(13) 0.0833(5) 0.067(4) Uani d U P . 0.5 B -1
H H31A 0.3253 0.6658 0.0885 0.101 Uiso calc U P R 0.5 B -1
H H31B 0.2473 0.6824 0.0951 0.101 Uiso calc U P R 0.5 B -1
H H31C 0.299 0.7771 0.0987 0.101 Uiso calc U P R 0.5 B -1
C C32 0.2645(6) 0.7313(8) 0.0335(2) 0.050(3) Uani d U P G 0.5 B -1
C C33 0.2362(6) 0.8237(8) 0.0170(3) 0.061(4) Uani d U P G 0.5 B -1
H H33 0.2333 0.8784 0.0372 0.074 Uiso calc U P R 0.5 B -1
C C34 0.2123(6) 0.8362(9) -0.0288(4) 0.081(4) Uani d U P G 0.5 B -1
H H34 0.193 0.8993 -0.04 0.097 Uiso calc U P R 0.5 B -1
C C35 0.2165(7) 0.7561(12) -0.0583(2) 0.078(4) Uani d U P G 0.5 B -1
H H35 0.2001 0.7646 -0.0896 0.093 Uiso calc U P R 0.5 B -1
C C36 0.2448(6) 0.6637(10) -0.0419(3) 0.072(4) Uani d U P G 0.5 B -1
H H36 0.2477 0.609 -0.062 0.087 Uiso calc U P R 0.5 B -1
C C37 0.2687(6) 0.6513(7) 0.0040(3) 0.051(3) Uani d U P G 0.5 B -1
H H37 0.288 0.5881 0.0152 0.062 Uiso calc U P R 0.5 B -1
C C38 0.3965(17) 1.019(2) -0.0236(11) 0.136(8) Uani d U P . 0.5 C -2
H H38A 0.3983 1.0931 -0.025 0.204 Uiso calc U P R 0.5 C -2
H H38B 0.3607 0.9981 -0.0068 0.204 Uiso calc U P R 0.5 C -2
H H38C 0.3857 0.991 -0.0542 0.204 Uiso calc U P R 0.5 C -2
C C39 0.4651(10) 0.9786(18) -0.0004(8) 0.099(5) Uani d U P G 0.5 C -2
C C40 0.5200(13) 1.0332(16) -0.0116(7) 0.104(5) Uani d U P G 0.5 C -2
H H40 0.5114 1.0889 -0.0319 0.124 Uiso calc U P R 0.5 C -2
C C41 0.5873(11) 1.0064(14) 0.0069(6) 0.109(6) Uani d U P G 0.5 C -2
H H41 0.6248 1.0437 -0.0008 0.131 Uiso calc U P R 0.5 C -2
C C42 0.5999(8) 0.9249(14) 0.0366(6) 0.120(6) Uani d U P G 0.5 C -2
H H42 0.6459 0.9066 0.0492 0.144 Uiso calc U P R 0.5 C -2
C C43 0.5451(10) 0.8703(11) 0.0478(5) 0.112(5) Uani d U P G 0.5 C -2
H H43 0.5536 0.8147 0.0681 0.134 Uiso calc U P R 0.5 C -2
C C44 0.4777(9) 0.8972(14) 0.0293(6) 0.104(5) Uani d U P G 0.5 C -2
H H44 0.4402 0.8598 0.037 0.125 Uiso calc U P R 0.5 C -2
N N1 0.8386(2) 0.7796(3) 0.16447(13) 0.0239(9) Uani d . . . 1.0 . .
N N2 0.8739(2) 0.6257(3) 0.17495(14) 0.0296(11) Uani d . . . 1.0 . .
N N3 0.9063(2) 0.7515(3) 0.25959(14) 0.0277(10) Uani d . . . 1.0 . .
N N4 1.0385(2) 0.9044(3) 0.17756(14) 0.0305(11) Uani d . . . 1.0 . .
Si Si1 0.91425(8) 0.73809(10) 0.20428(4) 0.0242(4) Uani d . . . 1.0 . .
Si Si2 0.83866(10) 0.71668(15) 0.28745(5) 0.0458(5) Uani d . . . 1.0 . .
Si Si3 1.02227(7) 0.82798(10) 0.21535(4) 0.0214(3) Uani d . . . 1.0 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C3 . . 111.1(5)
N1 C1 C4 . . 105.7(4)
C3 C1 C4 . . 110.6(5)
N1 C1 C2 . . 110.6(5)
C3 C1 C2 . . 110.4(5)
C4 C1 C2 . . 108.4(5)
N1 C5 N2 . . 105.5(4)
N1 C5 C6 . . 127.1(5)
N2 C5 C6 . . 127.3(5)
N1 C5 Si1 . . 52.8(2)
N2 C5 Si1 . . 53.1(2)
C6 C5 Si1 . . 177.8(4)
C7 C6 C11 . . 119.6(5)
C7 C6 C5 . . 121.2(5)
C11 C6 C5 . . 119.2(5)
C6 C7 C8 . . 118.9(6)
C9 C8 C7 . . 121.0(6)
C8 C9 C10 . . 120.0(5)
C9 C10 C11 . . 119.6(6)
C10 C11 C6 . . 120.8(6)
C15A C12 N2 . . 111.6(8)
N2 C12 C14 . . 107.5(8)
C15A C12 C14A . . 114.0(11)
N2 C12 C14A . . 104.9(6)
N2 C12 C13 . . 116.1(7)
C14 C12 C13 . . 112.5(11)
C15A C12 C13A . . 110.9(12)
N2 C12 C13A . . 108.4(7)
C14A C12 C13A . . 106.6(10)
N2 C12 C15 . . 105.4(6)
C14 C12 C15 . . 107.7(9)
C13 C12 C15 . . 107.0(11)
N4 C19 C20 . . 120.7(5)
N4 C19 C24 . . 121.7(5)
C20 C19 C24 . . 117.5(5)
C21 C20 C19 . . 120.1(5)
C21 C20 C28 . . 121.5(5)
C19 C20 C28 . . 118.4(5)
C22 C21 C20 . . 121.4(5)
C23 C22 C21 . . 119.4(5)
C22 C23 C24 . . 121.7(5)
C23 C24 C19 . . 119.8(5)
C23 C24 C25 . . 119.0(5)
C19 C24 C25 . . 121.2(5)
C24 C25 C26 . . 113.0(5)
C24 C25 C27 . . 112.6(5)
C26 C25 C27 . . 112.7(5)
C20 C28 C29 . . 113.6(5)
C20 C28 C30 . . 109.6(5)
C29 C28 C30 . . 111.5(6)
C33 C32 C37 . . 120.0
C33 C32 C31 . . 121.3(10)
C37 C32 C31 . . 118.5(10)
C34 C33 C32 . . 120.0
C35 C34 C33 . . 120.0
C34 C35 C36 . . 120.0
C35 C36 C37 . . 120.0
C36 C37 C32 . . 120.0
C40 C39 C44 . . 120.0
C40 C39 C38 . . 112.3(17)
C44 C39 C38 . . 127.7(17)
C39 C40 C41 . . 120.0
C42 C41 C40 . . 120.0
C41 C42 C43 . . 120.0
C44 C43 C42 . . 120.0
C43 C44 C39 . . 120.0
C5 N1 C1 . . 131.5(4)
C5 N1 Si1 . . 91.2(3)
C1 N1 Si1 . . 137.1(3)
C5 N2 C12 . . 131.6(4)
C5 N2 Si1 . . 90.8(3)
C12 N2 Si1 . . 134.6(4)
Si1 N3 Si2 . . 130.5(3)
Si1 N3 Si3 . 2_755 105.4(2)
Si2 N3 Si3 . 2_755 123.5(2)
C19 N4 Si3 . . 147.4(4)
N3 Si1 N1 . . 113.8(2)
N3 Si1 N2 . . 116.5(2)
N1 Si1 N2 . . 71.93(19)
N3 Si1 C5 . . 124.4(2)
N1 Si1 C5 . . 36.03(18)
N2 Si1 C5 . . 36.09(18)
N3 Si1 Si3 . . 92.85(16)
N1 Si1 Si3 . . 122.88(15)
N2 Si1 Si3 . . 139.54(17)
C5 Si1 Si3 . . 141.00(15)
N3 Si1 Si3 . 2_755 38.15(15)
N1 Si1 Si3 . 2_755 129.28(15)
N2 Si1 Si3 . 2_755 148.47(15)
C5 Si1 Si3 . 2_755 158.98(15)
Si3 Si1 Si3 . 2_755 54.81(6)
N3 Si2 C18 . . 110.1(3)
N3 Si2 C17 . . 110.5(3)
C18 Si2 C17 . . 111.4(4)
N3 Si2 C16 . . 111.2(3)
C18 Si2 C16 . . 106.9(4)
C17 Si2 C16 . . 106.7(4)
N4 Si3 N3 . 2_755 114.4(2)
N4 Si3 Si1 . . 119.80(18)
N3 Si3 Si1 2_755 . 113.18(17)
N4 Si3 Si3 . 2_755 140.59(18)
N3 Si3 Si3 2_755 2_755 90.92(15)
Si1 Si3 Si3 . 2_755 70.60(7)
N4 Si3 Si1 . 2_755 140.71(18)
N3 Si3 Si1 2_755 2_755 36.43(14)
Si1 Si3 Si1 . 2_755 99.18(7)
Si3 Si3 Si1 2_755 2_755 54.59(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.471(7)
C1 C3 . 1.521(8)
C1 C4 . 1.527(8)
C1 C2 . 1.532(8)
C5 N1 . 1.346(6)
C5 N2 . 1.347(7)
C5 C6 . 1.497(7)
C5 Si1 . 2.287(5)
C6 C7 . 1.383(7)
C6 C11 . 1.383(8)
C7 C8 . 1.394(8)
C8 C9 . 1.368(9)
C9 C10 . 1.372(9)
C10 C11 . 1.379(8)
C12 C15A . 1.460(19)
C12 N2 . 1.489(7)
C12 C14 . 1.507(15)
C12 C14A . 1.513(14)
C12 C13 . 1.521(14)
C12 C13A . 1.582(18)
C12 C15 . 1.594(15)
C16 Si2 . 1.869(7)
C17 Si2 . 1.859(8)
C18 Si2 . 1.858(8)
C19 N4 . 1.357(6)
C19 C20 . 1.423(7)
C19 C24 . 1.428(7)
C20 C21 . 1.391(7)
C20 C28 . 1.515(7)
C21 C22 . 1.376(8)
C22 C23 . 1.375(9)
C23 C24 . 1.389(8)
C24 C25 . 1.501(8)
C25 C26 . 1.503(9)
C25 C27 . 1.505(9)
C28 C29 . 1.525(8)
C28 C30 . 1.531(9)
C31 C32 . 1.508(17)
C32 C33 . 1.39
C32 C37 . 1.39
C33 C34 . 1.39
C34 C35 . 1.39
C35 C36 . 1.39
C36 C37 . 1.39
C38 C39 . 1.50(3)
C39 C40 . 1.39
C39 C44 . 1.39
C40 C41 . 1.39
C41 C42 . 1.39
C42 C43 . 1.39
C43 C44 . 1.39
N1 Si1 . 1.821(4)
N2 Si1 . 1.829(4)
N3 Si1 . 1.715(4)
N3 Si2 . 1.761(5)
N3 Si3 2_755 1.784(4)
N4 Si3 . 1.596(4)
Si1 Si3 . 2.406(2)
Si1 Si3 2_755 2.7842(19)
Si3 N3 2_755 1.784(4)
Si3 Si3 2_755 2.412(3)
Si3 Si1 2_755 2.7842(19)
