#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:20:50 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267035 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/83/7128326.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_7128326
loop_
_publ_author_name
'Xiong, Yun'
'Yao, Shenglai'
'Ruzicka, Ales'
'Driess, Matthias'
_publ_section_title
;
 Distinctly different reactivity of bis(silylenyl)-versus
 phosphanyl-silylenyl-substituted o-dicarborane towards
 O₂, N₂O and CO₂.
;
_journal_issue                   48
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5965
_journal_page_last               5968
_journal_paper_doi               10.1039/d1cc01939b
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C28 H55 B10 N4 O3 P Si'
_chemical_formula_weight         662.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_audit_update_record
;
2021-04-06 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.718(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7706(2)
_cell_length_b                   22.3265(4)
_cell_length_c                   17.6158(4)
_cell_measurement_reflns_used    4774
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      73.5810
_cell_measurement_theta_min      3.2190
_cell_volume                     3733.15(14)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14627
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.496
_diffrn_reflns_theta_max         67.495
_diffrn_reflns_theta_min         3.254
_exptl_absorpt_coefficient_mu    1.224
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92297
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_description       prism
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         6729
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0423
_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)+(0.0520P)²+1.0617P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1147
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5278
_reflns_number_total             6729
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc01939b2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7128322--7128326.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128326
_shelx_shelxl_version_number     2018/3
_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   0.741
_shelx_estimated_absorpt_t_max   0.857
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
P1 P 0.50202(6) 0.02717(2) 0.77623(3) 0.02137(13) Uani 1 1 d . . . . .
Si1 Si 0.42926(6) -0.08196(2) 0.61341(3) 0.01944(13) Uani 1 1 d . . . . .
O1 O 0.50407(17) 0.06346(6) 0.58012(9) 0.0327(4) Uani 1 1 d . . . . .
O2 O 0.56536(15) -0.03413(6) 0.60990(8) 0.0253(3) Uani 1 1 d . . . . .
O3 O 0.34980(15) -0.01057(6) 0.59436(8) 0.0247(3) Uani 1 1 d . . . . .
N3 N 0.30687(17) -0.12379(7) 0.53894(9) 0.0214(4) Uani 1 1 d . . . . .
N1 N 0.4044(2) 0.07095(7) 0.82081(10) 0.0301(4) Uani 1 1 d . . . . .
C3 C 0.4061(2) -0.16492(8) 0.53516(11) 0.0210(4) Uani 1 1 d . . . . .
N4 N 0.52086(18) -0.15051(7) 0.58896(10) 0.0229(4) Uani 1 1 d . . . . .
C8 C 0.4753(2) 0.01318(9) 0.59332(11) 0.0249(4) Uani 1 1 d . . . . .
N2 N 0.6487(2) 0.02827(7) 0.85166(10) 0.0277(4) Uani 1 1 d . . . . .
C1 C 0.3976(2) -0.10050(8) 0.71540(12) 0.0225(4) Uani 1 1 d . . . . .
C2 C 0.4218(2) -0.04957(9) 0.79204(11) 0.0240(4) Uani 1 1 d . . . . .
C7 C 0.2918(3) 0.12077(10) 0.69737(14) 0.0384(6) Uani 1 1 d . . . . .
H7A H 0.378206 0.119690 0.678296 0.058 Uiso 1 1 calc R U . . .
H7B H 0.235036 0.155496 0.675038 0.058 Uiso 1 1 calc R U . . .
H7C H 0.237731 0.083997 0.681667 0.058 Uiso 1 1 calc R U . . .
C14 C 0.3921(2) -0.21801(9) 0.48316(12) 0.0236(4) Uani 1 1 d . . . . .
C20 C 0.1604(2) -0.11747(9) 0.48808(12) 0.0265(4) Uani 1 1 d . . . . .
C5 C 0.6198(3) 0.05966(10) 0.92039(13) 0.0365(6) Uani 1 1 d . . . . .
H5A H 0.668131 0.098941 0.927485 0.044 Uiso 1 1 calc R U . . .
H5B H 0.654668 0.035548 0.968225 0.044 Uiso 1 1 calc R U . . .
C12 C 0.8203(2) -0.00018(10) 0.77416(14) 0.0349(5) Uani 1 1 d . . . . .
H12A H 0.825731 -0.041259 0.794251 0.052 Uiso 1 1 calc R U . . .
H12B H 0.910311 0.010753 0.762593 0.052 Uiso 1 1 calc R U . . .
H12C H 0.745018 0.002504 0.726318 0.052 Uiso 1 1 calc R U . . .
C10 C 0.7887(2) 0.04255(9) 0.83533(13) 0.0305(5) Uani 1 1 d . . . . .
C17 C 0.3875(3) -0.32045(11) 0.39440(15) 0.0421(6) Uani 1 1 d . . . . .
H17 H 0.387411 -0.355632 0.364047 0.051 Uiso 1 1 calc R U . . .
C24 C 0.6683(2) -0.17299(9) 0.59744(12) 0.0262(5) Uani 1 1 d . . . . .
B9 B 0.1870(3) -0.11952(11) 0.79578(15) 0.0339(6) Uani 1 1 d . . . . .
H9 H 0.071805 -0.122182 0.794097 0.041 Uiso 1 1 calc R U . . .
C19 C 0.4180(2) -0.21406(10) 0.40922(13) 0.0306(5) Uani 1 1 d . . . . .
H19 H 0.436408 -0.176355 0.388694 0.037 Uiso 1 1 calc R U . . .
B6 B 0.4663(3) -0.08619(10) 0.87908(14) 0.0301(6) Uani 1 1 d . . . . .
H6 H 0.536761 -0.066788 0.933015 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3584(3) -0.32423(10) 0.46722(15) 0.0391(6) Uani 1 1 d . . . . .
H16 H 0.336605 -0.361886 0.486542 0.047 Uiso 1 1 calc R U . . .
C6 C 0.3298(2) 0.12559(9) 0.78597(14) 0.0321(5) Uani 1 1 d . . . . .
B7 B 0.4700(3) -0.16354(11) 0.85660(15) 0.0356(6) Uani 1 1 d . . . . .
H7 H 0.543275 -0.195367 0.895518 0.043 Uiso 1 1 calc R U . . .
C22 C 0.0861(2) -0.17791(10) 0.47401(16) 0.0409(6) Uani 1 1 d . . . . .
H22A H 0.129400 -0.202300 0.439762 0.061 Uiso 1 1 calc R U . . .
H22B H -0.013787 -0.171721 0.449184 0.061 Uiso 1 1 calc R U . . .
H22C H 0.094910 -0.198561 0.524024 0.061 Uiso 1 1 calc R U . . .
C15 C 0.3611(2) -0.27317(9) 0.51205(13) 0.0314(5) Uani 1 1 d . . . . .
H15 H 0.341820 -0.275723 0.562338 0.038 Uiso 1 1 calc R U . . .
C23 C 0.0752(2) -0.07675(10) 0.52870(14) 0.0330(5) Uani 1 1 d . . . . .
H23A H 0.071446 -0.094134 0.579259 0.050 Uiso 1 1 calc R U . . .
H23B H -0.020685 -0.072682 0.496081 0.050 Uiso 1 1 calc R U . . .
H23C H 0.119838 -0.037224 0.536934 0.050 Uiso 1 1 calc R U . . .
C13 C 0.7907(3) 0.10676(10) 0.80430(17) 0.0422(6) Uani 1 1 d . . . . .
H13A H 0.719281 0.110761 0.755065 0.063 Uiso 1 1 calc R U . . .
H13B H 0.883944 0.115447 0.795316 0.063 Uiso 1 1 calc R U . . .
H13C H 0.770298 0.135028 0.842717 0.063 Uiso 1 1 calc R U . . .
C4 C 0.4617(3) 0.06838(10) 0.90595(12) 0.0329(5) Uani 1 1 d . . . . .
H4A H 0.418961 0.034648 0.928597 0.039 Uiso 1 1 calc R U . . .
H4B H 0.440624 0.106020 0.930605 0.039 Uiso 1 1 calc R U . . .
B4 B 0.2541(3) -0.06615(11) 0.73835(14) 0.0263(5) Uani 1 1 d . . . . .
H4 H 0.186243 -0.033047 0.698666 0.032 Uiso 1 1 calc R U . . .
B1 B 0.5324(3) -0.10974(10) 0.79771(14) 0.0275(5) Uani 1 1 d . . . . .
H1 H 0.646008 -0.105145 0.796589 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4166(3) -0.26581(11) 0.36575(14) 0.0404(6) Uani 1 1 d . . . . .
H18 H 0.436084 -0.263549 0.315488 0.048 Uiso 1 1 calc R U . . .
B8 B 0.2967(3) -0.18441(11) 0.80621(15) 0.0346(6) Uani 1 1 d . . . . .
H8 H 0.254356 -0.230348 0.812180 0.042 Uiso 1 1 calc R U . . .
C27 C 0.7586(3) -0.14676(13) 0.67143(16) 0.0495(7) Uani 1 1 d . . . . .
H27A H 0.750978 -0.102995 0.669538 0.074 Uiso 1 1 calc R U . . .
H27B H 0.857009 -0.158436 0.676303 0.074 Uiso 1 1 calc R U . . .
H27C H 0.726556 -0.161821 0.716536 0.074 Uiso 1 1 calc R U . . .
C26 C 0.7243(3) -0.15210(14) 0.52844(16) 0.0500(7) Uani 1 1 d . . . . .
H26A H 0.670420 -0.171182 0.480526 0.075 Uiso 1 1 calc R U . . .
H26B H 0.823871 -0.163143 0.536941 0.075 Uiso 1 1 calc R U . . .
H26C H 0.714782 -0.108493 0.523360 0.075 Uiso 1 1 calc R U . . .
B5 B 0.2924(3) -0.05951(11) 0.84174(15) 0.0307(6) Uani 1 1 d . . . . .
H5 H 0.246884 -0.022364 0.870776 0.037 Uiso 1 1 calc R U . . .
B3 B 0.2543(3) -0.14453(11) 0.71674(15) 0.0297(5) Uani 1 1 d . . . . .
H3 H 0.183564 -0.163932 0.662871 0.036 Uiso 1 1 calc R U . . .
C9 C 0.4226(3) 0.18093(10) 0.81059(18) 0.0558(8) Uani 1 1 d . . . . .
H9A H 0.446168 0.184379 0.867680 0.084 Uiso 1 1 calc R U . . .
H9B H 0.371464 0.216834 0.787563 0.084 Uiso 1 1 calc R U . . .
H9C H 0.509326 0.176951 0.792284 0.084 Uiso 1 1 calc R U . . .
C11 C 0.9036(3) 0.03448(14) 0.91050(16) 0.0530(7) Uani 1 1 d . . . . .
H11A H 0.892557 0.065011 0.948578 0.080 Uiso 1 1 calc R U . . .
H11B H 0.996354 0.038672 0.898901 0.080 Uiso 1 1 calc R U . . .
H11C H 0.895359 -0.005426 0.932179 0.080 Uiso 1 1 calc R U . . .
B10 B 0.3196(3) -0.13220(11) 0.88330(15) 0.0375(6) Uani 1 1 d . . . . .
H10 H 0.292576 -0.143568 0.939922 0.045 Uiso 1 1 calc R U . . .
C21 C 0.1693(3) -0.08871(16) 0.41086(15) 0.0564(8) Uani 1 1 d . . . . .
H21A H 0.216796 -0.049871 0.421079 0.085 Uiso 1 1 calc R U . . .
H21B H 0.074039 -0.082908 0.378157 0.085 Uiso 1 1 calc R U . . .
H21C H 0.222685 -0.114886 0.383733 0.085 Uiso 1 1 calc R U . . .
B2 B 0.4275(3) -0.17138(10) 0.75357(14) 0.0299(6) Uani 1 1 d . . . . .
H2 H 0.472297 -0.208540 0.724239 0.036 Uiso 1 1 calc R U . . .
C25 C 0.6773(3) -0.24116(11) 0.6039(2) 0.0544(8) Uani 1 1 d . . . . .
H25A H 0.626790 -0.254859 0.642599 0.082 Uiso 1 1 calc R U . . .
H25B H 0.776341 -0.253300 0.620369 0.082 Uiso 1 1 calc R U . . .
H25C H 0.634650 -0.259068 0.553042 0.082 Uiso 1 1 calc R U . . .
C28 C 0.1931(3) 0.13067(15) 0.81316(19) 0.0614(8) Uani 1 1 d . . . . .
H28A H 0.133766 0.095676 0.795080 0.092 Uiso 1 1 calc R U . . .
H28B H 0.142981 0.167148 0.791491 0.092 Uiso 1 1 calc R U . . .
H28C H 0.214844 0.132433 0.870354 0.092 Uiso 1 1 calc R U . . .
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'
O O 0.0492 0.0322 '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'
P P 0.2955 0.4335 '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 P1 N2 95.28(9) . . ?
N1 P1 C2 98.83(9) . . ?
N2 P1 C2 101.24(9) . . ?
O2 Si1 O3 75.04(7) . . ?
O2 Si1 N3 132.72(8) . . ?
O3 Si1 N3 98.19(7) . . ?
O2 Si1 N4 94.79(7) . . ?
O3 Si1 N4 154.68(8) . . ?
N3 Si1 N4 71.43(7) . . ?
O2 Si1 C1 117.45(8) . . ?
O3 Si1 C1 102.05(8) . . ?
N3 Si1 C1 109.76(8) . . ?
N4 Si1 C1 103.21(8) . . ?
O2 Si1 C8 37.88(7) . . ?
O3 Si1 C8 37.18(7) . . ?
N3 Si1 C8 120.17(8) . . ?
N4 Si1 C8 128.31(8) . . ?
C1 Si1 C8 115.82(8) . . ?
O2 Si1 C3 116.64(7) . . ?
O3 Si1 C3 129.69(7) . . ?
N3 Si1 C3 36.09(7) . . ?
N4 Si1 C3 35.39(7) . . ?
C1 Si1 C3 111.76(7) . . ?
C8 Si1 C3 132.40(7) . . ?
C8 O2 Si1 91.34(12) . . ?
C8 O3 Si1 89.85(12) . . ?
C3 N3 C20 128.90(16) . . ?
C3 N3 Si1 91.61(12) . . ?
C20 N3 Si1 139.00(13) . . ?
C4 N1 C6 119.10(17) . . ?
C4 N1 P1 109.37(15) . . ?
C6 N1 P1 124.29(14) . . ?
N4 C3 N3 107.20(16) . . ?
N4 C3 C14 125.02(18) . . ?
N3 C3 C14 127.75(18) . . ?
N4 C3 Si1 54.99(10) . . ?
N3 C3 Si1 52.30(9) . . ?
C14 C3 Si1 178.81(15) . . ?
C3 N4 C24 128.34(17) . . ?
C3 N4 Si1 89.62(12) . . ?
C24 N4 Si1 138.64(13) . . ?
O1 C8 O3 129.3(2) . . ?
O1 C8 O2 126.9(2) . . ?
O3 C8 O2 103.72(16) . . ?
O1 C8 Si1 176.76(17) . . ?
O3 C8 Si1 52.97(9) . . ?
O2 C8 Si1 50.78(9) . . ?
C5 N2 C10 114.57(17) . . ?
C5 N2 P1 110.79(15) . . ?
C10 N2 P1 119.32(14) . . ?
B3 C1 B2 61.97(14) . . ?
B3 C1 B1 112.52(16) . . ?
B2 C1 B1 62.32(13) . . ?
B3 C1 B4 62.66(13) . . ?
B2 C1 B4 112.91(17) . . ?
B1 C1 B4 110.89(16) . . ?
B3 C1 C2 108.98(15) . . ?
B2 C1 C2 108.64(15) . . ?
B1 C1 C2 59.27(12) . . ?
B4 C1 C2 59.76(12) . . ?
B3 C1 Si1 116.43(14) . . ?
B2 C1 Si1 120.66(14) . . ?
B1 C1 Si1 123.17(15) . . ?
B4 C1 Si1 116.01(13) . . ?
C2 C1 Si1 123.92(12) . . ?
B6 C2 B1 63.09(14) . . ?
B6 C2 B5 62.55(15) . . ?
B1 C2 B5 113.60(16) . . ?
B6 C2 B4 113.39(17) . . ?
B1 C2 B4 111.57(16) . . ?
B5 C2 B4 62.15(14) . . ?
B6 C2 C1 110.15(15) . . ?
B1 C2 C1 59.97(12) . . ?
B5 C2 C1 109.34(15) . . ?
B4 C2 C1 59.85(12) . . ?
B6 C2 P1 122.05(14) . . ?
B1 C2 P1 115.62(15) . . ?
B5 C2 P1 124.20(14) . . ?
B4 C2 P1 118.43(14) . . ?
C1 C2 P1 116.97(12) . . ?
C19 C14 C15 120.20(19) . . ?
C19 C14 C3 121.20(18) . . ?
C15 C14 C3 118.47(18) . . ?
N3 C20 C23 108.99(16) . . ?
N3 C20 C22 111.28(17) . . ?
C23 C20 C22 108.20(18) . . ?
N3 C20 C21 108.89(18) . . ?
C23 C20 C21 108.7(2) . . ?
C22 C20 C21 110.7(2) . . ?
N2 C5 C4 107.89(18) . . ?
N2 C10 C12 110.48(17) . . ?
N2 C10 C11 109.0(2) . . ?
C12 C10 C11 107.9(2) . . ?
N2 C10 C13 110.90(19) . . ?
C12 C10 C13 108.1(2) . . ?
C11 C10 C13 110.4(2) . . ?
C18 C17 C16 120.1(2) . . ?
N4 C24 C27 107.92(17) . . ?
N4 C24 C26 109.73(18) . . ?
C27 C24 C26 108.9(2) . . ?
N4 C24 C25 112.23(19) . . ?
C27 C24 C25 108.1(2) . . ?
C26 C24 C25 109.9(2) . . ?
B5 B9 B3 108.42(18) . . ?
B5 B9 B4 60.05(14) . . ?
B3 B9 B4 60.57(13) . . ?
B5 B9 B8 107.3(2) . . ?
B3 B9 B8 59.85(15) . . ?
B4 B9 B8 107.92(18) . . ?
B5 B9 B10 59.95(15) . . ?
B3 B9 B10 107.5(2) . . ?
B4 B9 B10 107.82(18) . . ?
B8 B9 B10 59.16(15) . . ?
C18 C19 C14 119.1(2) . . ?
C2 B6 B5 59.11(13) . . ?
C2 B6 B7 106.32(17) . . ?
B5 B6 B7 108.24(19) . . ?
C2 B6 B10 106.22(18) . . ?
B5 B6 B10 59.94(15) . . ?
B7 B6 B10 60.44(16) . . ?
C2 B6 B1 58.76(13) . . ?
B5 B6 B1 107.36(17) . . ?
B7 B6 B1 60.23(14) . . ?
B10 B6 B1 108.17(17) . . ?
C17 C16 C15 120.0(2) . . ?
N1 C6 C7 110.14(17) . . ?
N1 C6 C28 108.2(2) . . ?
C7 C6 C28 108.0(2) . . ?
N1 C6 C9 110.34(19) . . ?
C7 C6 C9 109.4(2) . . ?
C28 C6 C9 110.7(2) . . ?
B2 B7 B6 108.21(17) . . ?
B2 B7 B8 59.90(15) . . ?
B6 B7 B8 107.4(2) . . ?
B2 B7 B1 60.06(13) . . ?
B6 B7 B1 60.19(14) . . ?
B8 B7 B1 107.58(18) . . ?
B2 B7 B10 107.5(2) . . ?
B6 B7 B10 59.90(15) . . ?
B8 B7 B10 59.26(16) . . ?
B1 B7 B10 107.71(18) . . ?
C16 C15 C14 119.8(2) . . ?
N1 C4 C5 107.58(18) . . ?
C2 B4 C1 60.39(12) . . ?
C2 B4 B5 58.59(13) . . ?
C1 B4 B5 106.95(18) . . ?
C2 B4 B9 105.14(17) . . ?
C1 B4 B9 105.30(17) . . ?
B5 B4 B9 59.41(14) . . ?
C2 B4 B3 106.09(17) . . ?
C1 B4 B3 58.32(13) . . ?
B5 B4 B3 106.80(17) . . ?
B9 B4 B3 59.17(14) . . ?
C2 B1 C1 60.76(12) . . ?
C2 B1 B2 106.93(18) . . ?
C1 B1 B2 58.64(12) . . ?
C2 B1 B6 58.15(13) . . ?
C1 B1 B6 106.89(18) . . ?
B2 B1 B6 107.33(18) . . ?
C2 B1 B7 105.33(19) . . ?
C1 B1 B7 105.74(18) . . ?
B2 B1 B7 59.58(14) . . ?
B6 B1 B7 59.58(14) . . ?
C17 C18 C19 120.9(2) . . ?
B10 B8 B3 108.25(18) . . ?
B10 B8 B2 108.57(18) . . ?
B3 B8 B2 59.83(14) . . ?
B10 B8 B7 60.66(16) . . ?
B3 B8 B7 107.85(18) . . ?
B2 B8 B7 59.88(15) . . ?
B10 B8 B9 60.43(15) . . ?
B3 B8 B9 59.52(15) . . ?
B2 B8 B9 107.62(17) . . ?
B7 B8 B9 108.44(17) . . ?
C2 B5 B9 106.54(17) . . ?
C2 B5 B6 58.33(13) . . ?
B9 B5 B6 108.58(18) . . ?
C2 B5 B10 105.79(19) . . ?
B9 B5 B10 60.61(15) . . ?
B6 B5 B10 60.18(15) . . ?
C2 B5 B4 59.26(13) . . ?
B9 B5 B4 60.54(14) . . ?
B6 B5 B4 107.61(18) . . ?
B10 B5 B4 108.73(17) . . ?
C1 B3 B9 106.71(17) . . ?
C1 B3 B2 59.05(13) . . ?
B9 B3 B2 108.73(19) . . ?
C1 B3 B8 106.31(18) . . ?
B9 B3 B8 60.63(15) . . ?
B2 B3 B8 60.10(15) . . ?
C1 B3 B4 59.02(13) . . ?
B9 B3 B4 60.26(14) . . ?
B2 B3 B4 107.61(17) . . ?
B8 B3 B4 108.29(17) . . ?
B8 B10 B5 107.92(18) . . ?
B8 B10 B6 107.85(19) . . ?
B5 B10 B6 59.88(15) . . ?
B8 B10 B9 60.40(15) . . ?
B5 B10 B9 59.44(15) . . ?
B6 B10 B9 107.42(17) . . ?
B8 B10 B7 60.08(16) . . ?
B5 B10 B7 107.57(18) . . ?
B6 B10 B7 59.66(15) . . ?
B9 B10 B7 107.97(18) . . ?
C1 B2 B3 58.98(13) . . ?
C1 B2 B7 106.67(16) . . ?
B3 B2 B7 108.31(19) . . ?
C1 B2 B8 106.23(18) . . ?
B3 B2 B8 60.07(15) . . ?
B7 B2 B8 60.22(15) . . ?
C1 B2 B1 59.04(12) . . ?
B3 B2 B1 107.46(17) . . ?
B7 B2 B1 60.36(14) . . ?
B8 B2 B1 108.07(18) . . ?
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
P1 N1 1.6844(18) . ?
P1 N2 1.7077(18) . ?
P1 C2 1.932(2) . ?
Si1 O2 1.7180(14) . ?
Si1 O3 1.7699(14) . ?
Si1 N3 1.8108(17) . ?
Si1 N4 1.8740(17) . ?
Si1 C1 1.939(2) . ?
Si1 C8 2.217(2) . ?
Si1 C3 2.2879(19) . ?
O1 C8 1.194(2) . ?
O2 C8 1.362(2) . ?
O3 C8 1.340(2) . ?
N3 C3 1.348(3) . ?
N3 C20 1.504(3) . ?
N1 C4 1.472(3) . ?
N1 C6 1.478(3) . ?
C3 N4 1.325(3) . ?
C3 C14 1.484(3) . ?
N4 C24 1.499(3) . ?
N2 C5 1.483(3) . ?
N2 C10 1.497(3) . ?
C1 B3 1.716(3) . ?
C1 B2 1.717(3) . ?
C1 B1 1.724(3) . ?
C1 B4 1.728(3) . ?
C1 C2 1.738(3) . ?
C2 B6 1.701(3) . ?
C2 B1 1.712(3) . ?
C2 B5 1.715(3) . ?
C2 B4 1.727(3) . ?
C7 C6 1.520(3) . ?
C14 C19 1.387(3) . ?
C14 C15 1.393(3) . ?
C20 C23 1.522(3) . ?
C20 C22 1.525(3) . ?
C20 C21 1.525(3) . ?
C5 C4 1.516(4) . ?
C12 C10 1.524(3) . ?
C10 C11 1.530(3) . ?
C10 C13 1.536(3) . ?
C17 C18 1.376(4) . ?
C17 C16 1.381(4) . ?
C24 C27 1.509(3) . ?
C24 C26 1.520(3) . ?
C24 C25 1.527(3) . ?
B9 B5 1.765(3) . ?
B9 B3 1.766(4) . ?
B9 B4 1.785(3) . ?
B9 B8 1.786(4) . ?
B9 B10 1.786(4) . ?
C19 C18 1.384(3) . ?
B6 B5 1.773(4) . ?
B6 B7 1.774(3) . ?
B6 B10 1.779(4) . ?
B6 B1 1.785(4) . ?
C16 C15 1.383(3) . ?
C6 C28 1.526(4) . ?
C6 C9 1.533(3) . ?
B7 B2 1.772(4) . ?
B7 B8 1.778(4) . ?
B7 B1 1.786(3) . ?
B7 B10 1.788(4) . ?
B4 B5 1.777(3) . ?
B4 B3 1.791(3) . ?
B1 B2 1.781(3) . ?
B8 B10 1.763(4) . ?
B8 B3 1.772(4) . ?
B8 B2 1.772(4) . ?
B5 B10 1.774(4) . ?
B3 B2 1.767(4) . ?
