#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:19:37 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300612 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/41/1574103.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_1574103
loop_
_publ_author_name
'Phang, Si Jia Isabel'
'Zhang, Zheng-Feng'
'Su, Ming-Der'
'So, Cheuk-Wai'
_publ_section_title
;
 An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing
 a base-stabilised BSi double bond
;
_journal_issue                   16
_journal_name_full               'Chemical Science'
_journal_page_first              6763
_journal_page_last               6769
_journal_paper_doi               10.1039/D5SC00047E
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C36 H54 B N2 P Si2'
_chemical_formula_weight         612.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2024-10-29 deposited with the CCDC.	2025-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.814(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8487(6)
_cell_length_b                   10.1385(7)
_cell_length_c                   30.475(2)
_cell_measurement_reflns_used    3472
_cell_measurement_temperature    101.(2)
_cell_measurement_theta_max      68.1495
_cell_measurement_theta_min      2.9103
_cell_volume                     3648.0(4)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'APEX5 (Bruker AXS Inc., 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1503)'
_computing_publication_material  'APEX5 (Bruker AXS Inc., 2023)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      101.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'PHOTON 3'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Multilayer Mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1731
_diffrn_reflns_av_unetI/netI     0.1128
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            31379
_diffrn_reflns_theta_full        67.68
_diffrn_reflns_theta_max         68.34
_diffrn_reflns_theta_min         2.91
_diffrn_source                   'Incoatec Microfocus Diamond 2'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Bruker D8 Quest'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.478
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.483
_refine_ls_extinction_coef       0.0013(2)
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         6688
_refine_ls_number_restraints     877
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.0918
_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)+(0.0901P)²+7.7256P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2090
_refine_ls_wR_factor_ref         0.2361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4231
_reflns_number_total             6688
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc00047e2.cif
_cod_data_source_block           scw3255c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1574102--1574107.cif.
;
_cod_database_code               1574103
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.84008(19) 0.3007(4) 0.39963(10) 0.0324(11) Uani d . . G 1.000000 . .
C C2 0.8752(2) 0.2886(3) 0.44412(9) 0.0326(11) Uani d . . DG 1.000000 . .
C C3 0.9852(3) 0.3230(4) 0.45938(8) 0.0384(12) Uani d . . G 1.000000 . .
H H3 1.009194 0.314692 0.489790 0.046000 Uiso calc U . R 1.000000 . .
C C4 1.0599(2) 0.3694(4) 0.43016(11) 0.0444(14) Uani d . . G 1.000000 . .
H H4 1.135025 0.392918 0.440587 0.053000 Uiso calc U . R 1.000000 . .
C C5 1.0247(2) 0.3815(4) 0.38567(10) 0.0451(15) Uani d . . G 1.000000 . .
H H5 1.075825 0.413293 0.365692 0.054000 Uiso calc U . R 1.000000 . .
C C6 0.9148(2) 0.3472(4) 0.37040(8) 0.0368(12) Uani d . . G 1.000000 . .
C C7 0.8831(4) 0.3578(7) 0.32067(18) 0.0436(14) Uani d . . . 1.000000 . .
H H7 0.803990 0.324196 0.314682 0.052000 Uiso calc U . R 1.000000 . .
C C8 0.8848(5) 0.5018(8) 0.3052(2) 0.0555(17) Uani d . . . 1.000000 . .
H H8A 0.864149 0.505690 0.273392 0.083000 Uiso calc U . R 1.000000 . .
H H8B 0.960970 0.538379 0.311654 0.083000 Uiso calc U . R 1.000000 . .
H H8C 0.830428 0.553362 0.320617 0.083000 Uiso calc U . R 1.000000 . .
C C9 0.9607(5) 0.2726(8) 0.2941(2) 0.0521(17) Uani d . . . 1.000000 . .
H H9A 0.934034 0.276300 0.262786 0.078000 Uiso calc U . R 1.000000 . .
H H9B 0.958939 0.181135 0.304368 0.078000 Uiso calc U . R 1.000000 . .
H H9C 1.038373 0.306288 0.298190 0.078000 Uiso calc U . R 1.000000 . .
C C10 0.7983(6) 0.2286(7) 0.4774(2) 0.0363(15) Uani d U P D 0.835(10) A 1
H H10 0.739302 0.175182 0.459987 0.044000 Uiso calc U P R 0.835(10) A 1
C C11 0.7368(7) 0.3338(8) 0.5008(3) 0.0463(19) Uani d U P D 0.835(10) A 1
H H11A 0.685332 0.292371 0.520241 0.069000 Uiso calc U P R 0.835(10) A 1
H H11B 0.693255 0.389070 0.479108 0.069000 Uiso calc U P R 0.835(10) A 1
H H11C 0.791915 0.388536 0.518334 0.069000 Uiso calc U P R 0.835(10) A 1
C C12 0.8632(6) 0.1345(8) 0.5091(2) 0.049(2) Uani d U P D 0.835(10) A 1
H H12A 0.809694 0.076474 0.522611 0.074000 Uiso calc U P R 0.835(10) A 1
H H12B 0.906593 0.185177 0.532131 0.074000 Uiso calc U P R 0.835(10) A 1
H H12C 0.915055 0.081144 0.493050 0.074000 Uiso calc U P R 0.835(10) A 1
C C10A 0.785(2) 0.249(2) 0.4756(7) 0.039(3) Uani d U P D 0.165(10) A 2
H H10A 0.710276 0.272094 0.460087 0.047000 Uiso calc U P R 0.165(10) A 2
C C11A 0.794(3) 0.326(3) 0.5179(7) 0.042(5) Uani d U P D 0.165(10) A 2
H H11D 0.720380 0.364605 0.522523 0.064000 Uiso calc U P R 0.165(10) A 2
H H11E 0.850419 0.396107 0.516301 0.064000 Uiso calc U P R 0.165(10) A 2
H H11F 0.817497 0.266714 0.542464 0.064000 Uiso calc U P R 0.165(10) A 2
C C12A 0.783(3) 0.101(2) 0.4837(10) 0.048(5) Uani d U P D 0.165(10) A 2
H H12D 0.727186 0.081623 0.504910 0.072000 Uiso calc U P R 0.165(10) A 2
H H12E 0.857698 0.071316 0.495417 0.072000 Uiso calc U P R 0.165(10) A 2
H H12F 0.760868 0.055652 0.455883 0.072000 Uiso calc U P R 0.165(10) A 2
C C13 0.6926(4) 0.1556(6) 0.36572(16) 0.0315(11) Uani d . . D 1.000000 . .
C C14 0.7879(10) 0.0711(13) 0.3493(5) 0.023(3) Uani d . P DG 0.51(2) B 1
C C15 0.8792(11) 0.0242(15) 0.3764(4) 0.031(3) Uani d U P DG 0.51(2) B 1
H H15 0.888905 0.050969 0.406372 0.037000 Uiso calc U P R 0.51(2) B 1
C C16 0.9563(9) -0.0620(14) 0.3598(4) 0.031(3) Uani d U P DG 0.51(2) B 1
H H16 1.018668 -0.094037 0.378340 0.038000 Uiso calc U P R 0.51(2) B 1
C C17 0.9420(8) -0.1012(13) 0.3160(4) 0.034(2) Uani d U P DG 0.51(2) B 1
H H17 0.994712 -0.160051 0.304570 0.041000 Uiso calc U P R 0.51(2) B 1
C C18 0.8507(9) -0.0543(14) 0.2888(4) 0.032(2) Uani d U P DG 0.51(2) B 1
H H18 0.840993 -0.081060 0.258832 0.039000 Uiso calc U P R 0.51(2) B 1
C C19 0.7736(8) 0.0319(13) 0.3054(4) 0.031(3) Uani d U P DG 0.51(2) B 1
H H19 0.711228 0.063947 0.286863 0.037000 Uiso calc U P R 0.51(2) B 1
C C14A 0.7774(13) 0.0458(17) 0.3568(6) 0.030(3) Uani d U P D 0.49(2) B 2
C C15A 0.8713(14) 0.0104(18) 0.3845(5) 0.031(2) Uani d U P D 0.49(2) B 2
H H15A 0.885004 0.051482 0.412403 0.037000 Uiso calc U P R 0.49(2) B 2
C C16A 0.9450(12) -0.0851(16) 0.3713(5) 0.034(3) Uani d U P D 0.49(2) B 2
H H16A 1.005238 -0.114730 0.391478 0.040000 Uiso calc U P R 0.49(2) B 2
C C17A 0.9324(11) -0.1380(15) 0.3294(5) 0.035(2) Uani d U P D 0.49(2) B 2
H H17A 0.986072 -0.199681 0.320255 0.043000 Uiso calc U P R 0.49(2) B 2
C C18A 0.8406(10) -0.1002(16) 0.3008(5) 0.032(2) Uani d U P D 0.49(2) B 2
H H18A 0.830687 -0.136538 0.271952 0.038000 Uiso calc U P R 0.49(2) B 2
C C19A 0.7631(12) -0.0087(16) 0.3145(5) 0.030(3) Uani d U P . 0.49(2) B 2
H H19A 0.700106 0.016838 0.295073 0.036000 Uiso calc U P R 0.49(2) B 2
C C20 0.3903(4) 0.1378(7) 0.30230(17) 0.0399(13) Uani d . . . 1.000000 . .
C C21 0.4457(6) 0.2196(9) 0.26777(19) 0.066(2) Uani d . . . 1.000000 . .
H H21A 0.413626 0.194363 0.238272 0.099000 Uiso calc U . R 1.000000 . .
H H21B 0.527514 0.203400 0.270302 0.099000 Uiso calc U . R 1.000000 . .
H H21C 0.431399 0.313487 0.272611 0.099000 Uiso calc U . R 1.000000 . .
C C22 0.4022(5) -0.0071(8) 0.2906(2) 0.0544(16) Uani d . . . 1.000000 . .
H H22A 0.379047 -0.019922 0.259216 0.082000 Uiso calc U . R 1.000000 . .
H H22B 0.353842 -0.060408 0.308201 0.082000 Uiso calc U . R 1.000000 . .
H H22C 0.481270 -0.034378 0.296698 0.082000 Uiso calc U . R 1.000000 . .
C C23 0.2643(4) 0.1747(7) 0.3019(2) 0.0479(15) Uani d . . . 1.000000 . .
H H23A 0.228952 0.169760 0.271701 0.072000 Uiso calc U . R 1.000000 . .
H H23B 0.257425 0.264708 0.313104 0.072000 Uiso calc U . R 1.000000 . .
H H23C 0.226331 0.113233 0.320636 0.072000 Uiso calc U . R 1.000000 . .
C C24 0.4040(4) 0.1020(5) 0.40332(17) 0.0323(11) Uani d . . . 1.000000 . .
C C25 0.3714(6) -0.0412(6) 0.3946(2) 0.0466(15) Uani d . . . 1.000000 . .
H H25A 0.360836 -0.085441 0.422540 0.070000 Uiso calc U . R 1.000000 . .
H H25B 0.431612 -0.085598 0.380064 0.070000 Uiso calc U . R 1.000000 . .
H H25C 0.300627 -0.045020 0.375491 0.070000 Uiso calc U . R 1.000000 . .
C C26 0.3031(5) 0.1812(6) 0.41702(19) 0.0388(13) Uani d . . . 1.000000 . .
H H26A 0.270495 0.136527 0.441517 0.058000 Uiso calc U . R 1.000000 . .
H H26B 0.245773 0.188236 0.392029 0.058000 Uiso calc U . R 1.000000 . .
H H26C 0.328398 0.269690 0.426325 0.058000 Uiso calc U . R 1.000000 . .
C C27 0.4973(5) 0.1059(6) 0.44213(18) 0.0441(14) Uani d . . . 1.000000 . .
H H27A 0.465856 0.075296 0.469058 0.066000 Uiso calc U . R 1.000000 . .
H H27B 0.525011 0.196491 0.446357 0.066000 Uiso calc U . R 1.000000 . .
H H27C 0.560167 0.048380 0.435497 0.066000 Uiso calc U . R 1.000000 . .
C C28 0.3861(6) 0.4948(7) 0.3531(3) 0.0274(18) Uani d U P DG 0.478(10) C 1
C C29 0.3004(7) 0.5196(9) 0.3805(3) 0.0272(19) Uani d U P DG 0.478(10) C 1
H H29 0.295546 0.468677 0.406404 0.033000 Uiso calc U P R 0.478(10) C 1
C C30 0.2218(6) 0.6187(9) 0.3699(3) 0.032(2) Uani d U P DG 0.478(10) C 1
H H30 0.163211 0.635617 0.388571 0.038000 Uiso calc U P R 0.478(10) C 1
C C31 0.2289(6) 0.6932(7) 0.3319(3) 0.0324(19) Uani d U P DG 0.478(10) C 1
H H31 0.175134 0.760939 0.324647 0.039000 Uiso calc U P R 0.478(10) C 1
C C32 0.3146(7) 0.6684(8) 0.3045(2) 0.0302(19) Uani d U P DG 0.478(10) C 1
H H32 0.319392 0.719323 0.278557 0.036000 Uiso calc U P R 0.478(10) C 1
C C33 0.3932(7) 0.5693(9) 0.3151(2) 0.0283(19) Uani d U P DG 0.478(10) C 1
H H33 0.451728 0.552384 0.296389 0.034000 Uiso calc U P R 0.478(10) C 1
C C28A 0.3769(5) 0.4757(7) 0.3536(2) 0.0241(17) Uani d U P DG 0.522(10) C 2
C C29A 0.3291(7) 0.5352(8) 0.38875(18) 0.0267(18) Uani d U P DG 0.522(10) C 2
H H29A 0.350290 0.506952 0.418014 0.032000 Uiso calc U P R 0.522(10) C 2
C C30A 0.2504(6) 0.6360(8) 0.3811(2) 0.0276(18) Uani d U P DG 0.522(10) C 2
H H30A 0.217791 0.676636 0.405096 0.033000 Uiso calc U P R 0.522(10) C 2
C C31A 0.2195(5) 0.6773(7) 0.3383(3) 0.0342(19) Uani d U P DG 0.522(10) C 2
H H31A 0.165692 0.746225 0.333023 0.041000 Uiso calc U P R 0.522(10) C 2
C C32A 0.2672(7) 0.6179(8) 0.30313(19) 0.0345(19) Uani d U P DG 0.522(10) C 2
H H32A 0.246091 0.646130 0.273868 0.041000 Uiso calc U P R 0.522(10) C 2
C C33A 0.3459(7) 0.5171(8) 0.3108(2) 0.0319(19) Uani d U P DG 0.522(10) C 2
H H33A 0.378590 0.476445 0.286785 0.038000 Uiso calc U P R 0.522(10) C 2
C C34 0.6399(6) 0.7357(7) 0.3646(2) 0.0601(19) Uani d . . . 1.000000 . .
H H34A 0.651880 0.826399 0.375083 0.090000 Uiso calc U . R 1.000000 . .
H H34B 0.559726 0.722980 0.354780 0.090000 Uiso calc U . R 1.000000 . .
H H34C 0.686015 0.719593 0.339863 0.090000 Uiso calc U . R 1.000000 . .
C C35 0.5949(6) 0.6603(7) 0.4570(2) 0.0610(19) Uani d . . . 1.000000 . .
H H35A 0.612122 0.750629 0.466851 0.091000 Uiso calc U . R 1.000000 . .
H H35B 0.612901 0.598923 0.481378 0.091000 Uiso calc U . R 1.000000 . .
H H35C 0.514266 0.653485 0.447050 0.091000 Uiso calc U . R 1.000000 . .
C C36 0.8353(5) 0.6391(6) 0.4284(2) 0.0457(15) Uani d . . . 1.000000 . .
H H36A 0.848095 0.727827 0.440601 0.069000 Uiso calc U . R 1.000000 . .
H H36B 0.880457 0.627171 0.403198 0.069000 Uiso calc U . R 1.000000 . .
H H36C 0.857891 0.573365 0.451049 0.069000 Uiso calc U . R 1.000000 . .
B B1 0.4752(5) 0.3700(7) 0.36373(18) 0.0297(12) Uani d . . D 1.000000 . .
N N1 0.7235(3) 0.2721(4) 0.38503(13) 0.0283(9) Uani d . . . 1.000000 . .
N N2 0.5906(3) 0.1173(5) 0.35328(14) 0.0339(10) Uani d . . . 1.000000 . .
P P1 0.46550(10) 0.18619(14) 0.35611(4) 0.0278(3) Uani d . . . 1.000000 . .
Si Si1 0.62465(11) 0.40894(15) 0.38364(5) 0.0314(4) Uani d . . . 1.000000 . .
Si Si2 0.68199(12) 0.61806(16) 0.41015(5) 0.0362(4) Uani d . . . 1.000000 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
_geom_angle_publ_flag
C2 C1 C6 . . 120.000000 ?
C2 C1 N1 . . 118.9(3) ?
C6 C1 N1 . . 121.0(3) ?
C1 C2 C3 . . 120.000000 ?
C1 C2 C10 . . 122.0(3) ?
C3 C2 C10 . . 117.9(3) ?
C1 C2 C10A . . 117.6(11) ?
C3 C2 C10A . . 122.2(10) ?
C4 C3 C2 . . 120.000000 ?
C3 C4 C5 . . 120.000000 ?
C6 C5 C4 . . 120.000000 ?
C5 C6 C1 . . 120.000000 ?
C5 C6 C7 . . 117.2(3) ?
C1 C6 C7 . . 122.7(3) ?
C6 C7 C8 . . 111.2(5) ?
C6 C7 C9 . . 111.9(4) ?
C8 C7 C9 . . 110.4(5) ?
C11 C10 C12 . . 112.4(6) ?
C11 C10 C2 . . 111.6(5) ?
C12 C10 C2 . . 111.7(5) ?
C11A C10A C12A . . 111.9(15) ?
C11A C10A C2 . . 113.3(11) ?
C12A C10A C2 . . 112.6(10) ?
N2 C13 N1 . . 126.9(4) ?
N2 C13 C14 . . 115.5(7) ?
N1 C13 C14 . . 116.7(7) ?
N2 C13 C14A . . 109.7(9) ?
N1 C13 C14A . . 123.4(8) ?
C15 C14 C19 . . 120.000000 ?
C15 C14 C13 . . 123.6(8) ?
C19 C14 C13 . . 116.1(8) ?
C14 C15 C16 . . 120.000000 ?
C15 C16 C17 . . 120.000000 ?
C18 C17 C16 . . 120.000000 ?
C19 C18 C17 . . 120.000000 ?
C18 C19 C14 . . 120.000000 ?
C15A C14A C19A . . 119.2(9) ?
C15A C14A C13 . . 125.6(11) ?
C19A C14A C13 . . 114.8(11) ?
C16A C15A C14A . . 119.9(9) ?
C17A C16A C15A . . 121.1(8) ?
C16A C17A C18A . . 119.5(8) ?
C17A C18A C19A . . 119.6(9) ?
C18A C19A C14A . . 120.6(10) ?
C22 C20 C21 . . 107.9(5) ?
C22 C20 C23 . . 110.0(5) ?
C21 C20 C23 . . 109.5(5) ?
C22 C20 P1 . . 114.5(4) ?
C21 C20 P1 . . 105.1(4) ?
C23 C20 P1 . . 109.6(4) ?
C25 C24 C26 . . 110.9(5) ?
C25 C24 C27 . . 108.2(5) ?
C26 C24 C27 . . 107.6(5) ?
C25 C24 P1 . . 114.2(4) ?
C26 C24 P1 . . 109.6(4) ?
C27 C24 P1 . . 106.0(4) ?
C29 C28 C33 . . 120.000000 ?
C29 C28 B1 . . 120.3(5) ?
C33 C28 B1 . . 119.6(5) ?
C28 C29 C30 . . 120.000000 ?
C29 C30 C31 . . 120.000000 ?
C32 C31 C30 . . 120.000000 ?
C31 C32 C33 . . 120.000000 ?
C32 C33 C28 . . 120.000000 ?
C29A C28A C33A . . 120.000000 ?
C29A C28A B1 . . 118.7(5) ?
C33A C28A B1 . . 121.0(5) ?
C30A C29A C28A . . 120.000000 ?
C29A C30A C31A . . 120.000000 ?
C32A C31A C30A . . 120.000000 ?
C33A C32A C31A . . 120.000000 ?
C32A C33A C28A . . 120.000000 ?
C28A B1 Si1 . . 125.4(5) ?
C28 B1 Si1 . . 118.2(5) ?
C28A B1 P1 . . 127.3(5) ?
C28 B1 P1 . . 134.3(5) ?
Si1 B1 P1 . . 107.2(3) ?
C13 N1 C1 . . 121.7(4) ?
C13 N1 Si1 . . 120.3(3) ?
C1 N1 Si1 . . 116.9(3) ?
C13 N2 P1 . . 132.8(4) ?
N2 P1 C20 . . 102.0(2) ?
N2 P1 C24 . . 104.9(2) ?
C20 P1 C24 . . 111.6(3) ?
N2 P1 B1 . . 112.4(2) ?
C20 P1 B1 . . 112.9(3) ?
C24 P1 B1 . . 112.4(2) ?
N1 Si1 B1 . . 116.1(3) ?
N1 Si1 Si2 . . 120.99(15) ?
B1 Si1 Si2 . . 122.8(2) ?
C36 Si2 C34 . . 110.0(3) ?
C36 Si2 C35 . . 109.3(3) ?
C34 Si2 C35 . . 106.8(3) ?
C36 Si2 Si1 . . 116.9(2) ?
C34 Si2 Si1 . . 105.6(2) ?
C35 Si2 Si1 . . 107.8(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.390000 ?
C1 C6 . 1.390000 ?
C1 N1 . 1.445(4) ?
C2 C3 . 1.390000 ?
C2 C10 . 1.544(7) ?
C2 C10A . 1.545(11) ?
C3 C4 . 1.390000 ?
C4 C5 . 1.390000 ?
C5 C6 . 1.390000 ?
C6 C7 . 1.534(6) ?
C7 C8 . 1.535(10) ?
C7 C9 . 1.540(8) ?
C10 C11 . 1.505(9) ?
C10 C12 . 1.521(10) ?
C10A C11A . 1.503(13) ?
C10A C12A . 1.517(13) ?
C13 N2 . 1.295(6) ?
C13 N1 . 1.356(7) ?
C13 C14 . 1.535(7) ?
C13 C14A . 1.540(9) ?
C14 C15 . 1.390000 ?
C14 C19 . 1.390000 ?
C15 C16 . 1.390000 ?
C16 C17 . 1.390000 ?
C17 C18 . 1.390000 ?
C18 C19 . 1.390000 ?
C14A C15A . 1.386(8) ?
C14A C19A . 1.397(15) ?
C15A C16A . 1.386(8) ?
C16A C17A . 1.382(8) ?
C17A C18A . 1.391(9) ?
C18A C19A . 1.395(14) ?
C20 C22 . 1.521(10) ?
C20 C21 . 1.531(9) ?
C20 C23 . 1.538(7) ?
C20 P1 . 1.865(5) ?
C24 C25 . 1.521(8) ?
C24 C26 . 1.526(7) ?
C24 C27 . 1.551(8) ?
C24 P1 . 1.872(5) ?
C28 C29 . 1.390000 ?
C28 C33 . 1.390000 ?
C28 B1 . 1.663(7) ?
C29 C30 . 1.390000 ?
C30 C31 . 1.390000 ?
C31 C32 . 1.390000 ?
C32 C33 . 1.390000 ?
C28A C29A . 1.390000 ?
C28A C33A . 1.390000 ?
C28A B1 . 1.594(7) ?
C29A C30A . 1.390000 ?
C30A C31A . 1.390000 ?
C31A C32A . 1.390000 ?
C32A C33A . 1.390000 ?
C34 Si2 . 1.867(7) ?
C35 Si2 . 1.879(6) ?
C36 Si2 . 1.867(6) ?
B1 Si1 . 1.865(6) ?
B1 P1 . 1.880(7) ?
N1 Si1 . 1.814(4) ?
N2 P1 . 1.647(4) ?
Si1 Si2 . 2.349(2) ?
