# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 2278801'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2023-07-03 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
_audit_creation_date             2022-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H45 B11 N4 Si2'
_chemical_formula_sum            'C20 H45 B11 N4 Si2'
_chemical_formula_weight         516.69
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0996(9)
_cell_length_b                   15.2353(12)
_cell_length_c                   17.5608(12)
_cell_angle_alpha                105.518(3)
_cell_angle_beta                 90.022(3)
_cell_angle_gamma                94.870(3)
_cell_volume                     3107.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8318
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      27.546
_cell_measurement_theta_min      2.242
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.984
_exptl_absorpt_coefficient_mu    0.132
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 56875 reflections, Rint = 0.1022
 (21821 with I > 3sig(I), Rint = 0.0687)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1022
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_number            10761
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.242
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8272
_reflns_number_total             10761
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         10761
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1314
_refine_ls_R_factor_gt           0.0947
_refine_ls_restrained_S_all      1.093
_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)+(0.0596P)²+12.3062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2072
_refine_ls_wR_factor_ref         0.2209
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15), C18(H18), C35(H35), C38(H38)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C31(H31), C32(H32), C33(H33)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,
 H19B,H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,
 H40B,H40C)
2.d Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10),
 B11(H11A), B13(H13A), B14(H14), B15(H15A), B16(H16), B17(H17), B18(H18A),
 B19(H19), B20(H20), B21(H21), B22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Si1 Si 0.26940(10) 0.68572(9) -0.12098(7) 0.0214(3) Uani 1 1 d . . . . .
Si2 Si 0.57455(9) 0.85340(9) 0.06435(7) 0.0187(3) Uani 1 1 d . . . . .
N1 N 0.4755(3) 0.7707(2) 0.0903(2) 0.0161(7) Uani 1 1 d . . . . .
N2 N 0.5298(3) 0.7143(2) 0.1272(2) 0.0174(8) Uani 1 1 d . . . . .
N3 N 0.4604(3) 0.6608(2) 0.1512(2) 0.0176(8) Uani 1 1 d . . . . .
N4 N 0.3532(3) 0.6762(2) 0.13270(19) 0.0134(7) Uani 1 1 d . . . . .
C1 C 0.2549(3) 0.7886(3) 0.0656(2) 0.0141(8) Uani 1 1 d . . . . .
C2 C 0.2064(3) 0.7669(3) -0.0299(2) 0.0165(9) Uani 1 1 d . . . . .
C3 C 0.3110(4) 0.7538(4) -0.1916(3) 0.0342(12) Uani 1 1 d . . . . .
H3A H 0.245941 0.779883 -0.206935 0.051 Uiso 1 1 calc GR . . . .
H3B H 0.341898 0.714144 -0.238677 0.051 Uiso 1 1 calc GR . . . .
H3C H 0.367118 0.803332 -0.166269 0.051 Uiso 1 1 calc GR . . . .
C4 C 0.3907(4) 0.6313(3) -0.0955(3) 0.0257(10) Uani 1 1 d . . . . .
H4A H 0.436616 0.675799 -0.054526 0.038 Uiso 1 1 calc GR . . . .
H4B H 0.434777 0.610396 -0.142689 0.038 Uiso 1 1 calc GR . . . .
H4C H 0.364833 0.578881 -0.075777 0.038 Uiso 1 1 calc GR . . . .
C5 C 0.1600(4) 0.5948(4) -0.1686(3) 0.0336(12) Uani 1 1 d . . . . .
H5A H 0.128835 0.565280 -0.129190 0.050 Uiso 1 1 calc GR . . . .
H5B H 0.192261 0.549204 -0.211077 0.050 Uiso 1 1 calc GR . . . .
H5C H 0.101205 0.621806 -0.190582 0.050 Uiso 1 1 calc GR . . . .
C6 C 0.5755(4) 0.8363(4) -0.0447(3) 0.0327(12) Uani 1 1 d . . . . .
H6A H 0.597353 0.775109 -0.070448 0.049 Uiso 1 1 calc GR . . . .
H6B H 0.628466 0.882399 -0.057382 0.049 Uiso 1 1 calc GR . . . .
H6C H 0.501121 0.842471 -0.063718 0.049 Uiso 1 1 calc GR . . . .
C7 C 0.5422(4) 0.9702(3) 0.1183(3) 0.0327(12) Uani 1 1 d . . . . .
H7A H 0.470010 0.982186 0.099771 0.049 Uiso 1 1 calc GR . . . .
H7B H 0.599693 1.014992 0.108479 0.049 Uiso 1 1 calc GR . . . .
H7C H 0.539852 0.975301 0.175049 0.049 Uiso 1 1 calc GR . . . .
C8 C 0.7156(4) 0.8326(4) 0.0936(3) 0.0339(12) Uani 1 1 d . . . . .
H8A H 0.722701 0.848905 0.151437 0.051 Uiso 1 1 calc GR . . . .
H8B H 0.771317 0.870033 0.072836 0.051 Uiso 1 1 calc GR . . . .
H8C H 0.727113 0.767779 0.072109 0.051 Uiso 1 1 calc GR . . . .
C9 C 0.2676(3) 0.6287(3) 0.1680(2) 0.0158(9) Uani 1 1 d . . . . .
C10 C 0.2415(3) 0.6686(3) 0.2468(2) 0.0162(9) Uani 1 1 d . . . . .
C11 C 0.1553(4) 0.6235(3) 0.2794(3) 0.0211(10) Uani 1 1 d . . . . .
H11 H 0.135892 0.648238 0.332771 0.025 Uiso 1 1 calc R . . . .
C12 C 0.0985(4) 0.5437(3) 0.2351(3) 0.0225(10) Uani 1 1 d . . . . .
H12 H 0.038610 0.515440 0.257460 0.027 Uiso 1 1 calc R . . . .
C13 C 0.1286(4) 0.5047(3) 0.1584(3) 0.0209(9) Uani 1 1 d . . . . .
H13 H 0.089601 0.449198 0.129073 0.025 Uiso 1 1 calc R . . . .
C14 C 0.2147(3) 0.5450(3) 0.1230(2) 0.0152(9) Uani 1 1 d . . . . .
C15 C 0.2533(3) 0.4988(3) 0.0412(3) 0.0201(9) Uani 1 1 d . . . . .
H15 H 0.281058 0.548029 0.016182 0.024 Uiso 1 1 calc R . . . .
C16 C 0.3517(4) 0.4434(4) 0.0483(3) 0.0330(12) Uani 1 1 d . . . . .
H16A H 0.327165 0.394677 0.072868 0.050 Uiso 1 1 calc GR . . . .
H16B H 0.411020 0.483948 0.081027 0.050 Uiso 1 1 calc GR . . . .
H16C H 0.379613 0.416458 -0.004425 0.050 Uiso 1 1 calc GR . . . .
C17 C 0.1637(4) 0.4386(3) -0.0131(3) 0.0312(11) Uani 1 1 d . . . . .
H17A H 0.192120 0.418384 -0.066598 0.047 Uiso 1 1 calc GR . . . .
H17B H 0.099321 0.473294 -0.013980 0.047 Uiso 1 1 calc GR . . . .
H17C H 0.141583 0.385197 0.006265 0.047 Uiso 1 1 calc GR . . . .
C18 C 0.3018(4) 0.7565(3) 0.2972(2) 0.0221(10) Uani 1 1 d . . . . .
H18 H 0.339712 0.789460 0.260895 0.027 Uiso 1 1 calc R . . . .
C19 C 0.3912(4) 0.7330(4) 0.3487(3) 0.0380(13) Uani 1 1 d . . . . .
H19A H 0.355761 0.703691 0.386811 0.057 Uiso 1 1 calc GR . . . .
H19B H 0.435425 0.789187 0.377077 0.057 Uiso 1 1 calc GR . . . .
H19C H 0.439656 0.691202 0.315029 0.057 Uiso 1 1 calc GR . . . .
C20 C 0.2246(4) 0.8204(3) 0.3488(3) 0.0326(12) Uani 1 1 d . . . . .
H20A H 0.166834 0.833829 0.315451 0.049 Uiso 1 1 calc GR . . . .
H20B H 0.267277 0.877506 0.376880 0.049 Uiso 1 1 calc GR . . . .
H20C H 0.190022 0.791024 0.387181 0.049 Uiso 1 1 calc GR . . . .
B1 B 0.3589(4) 0.7460(3) 0.0930(3) 0.0139(9) Uani 1 1 d . . . . .
B2 B 0.2744(4) 0.8715(4) 0.0152(3) 0.0214(11) Uani 1 1 d . . . . .
H2 H 0.357945 0.894824 -0.003328 0.026 Uiso 1 1 calc R . . . .
B3 B 0.1327(4) 0.7210(3) 0.0362(3) 0.0166(10) Uani 1 1 d . . . . .
H3 H 0.123405 0.645926 0.031434 0.020 Uiso 1 1 calc R . . . .
B4 B 0.0643(4) 0.7696(3) -0.0304(3) 0.0189(10) Uani 1 1 d . . . . .
H4 H 0.007730 0.726521 -0.079087 0.023 Uiso 1 1 calc R . . . .
B5 B 0.1527(4) 0.8630(4) -0.0440(3) 0.0253(12) Uani 1 1 d . . . . .
H5 H 0.154537 0.881703 -0.101451 0.030 Uiso 1 1 calc R . . . .
B6 B 0.2349(4) 0.8986(3) 0.1153(3) 0.0206(11) Uani 1 1 d . . . . .
H6 H 0.291987 0.941447 0.163786 0.025 Uiso 1 1 calc R . . . .
B7 B 0.1461(4) 0.8051(4) 0.1285(3) 0.0191(10) Uani 1 1 d . . . . .
H7 H 0.143930 0.785781 0.185694 0.023 Uiso 1 1 calc R . . . .
B8 B 0.0246(4) 0.7940(3) 0.0692(3) 0.0197(10) Uani 1 1 d . . . . .
H8 H -0.057852 0.767168 0.086673 0.024 Uiso 1 1 calc R . . . .
B9 B 0.1702(4) 0.9468(4) 0.0478(3) 0.0252(12) Uani 1 1 d . . . . .
H9 H 0.184299 1.021424 0.051376 0.030 Uiso 1 1 calc R . . . .
B10 B 0.0885(4) 0.9054(4) 0.1184(3) 0.0245(11) Uani 1 1 d . . . . .
H10 H 0.047876 0.952664 0.168488 0.029 Uiso 1 1 calc R . . . .
B11 B 0.0387(4) 0.8832(4) 0.0201(3) 0.0247(12) Uani 1 1 d . . . . .
H11A H -0.034976 0.916076 0.005611 0.030 Uiso 1 1 calc R . . . .
Si3 Si 0.76854(10) 0.69497(10) 0.71419(7) 0.0240(3) Uani 1 1 d . . . . .
Si4 Si 1.05107(10) 0.88872(10) 0.61167(7) 0.0263(3) Uani 1 1 d . . . . .
N5 N 0.9610(3) 0.7967(3) 0.5475(2) 0.0217(8) Uani 1 1 d . . . . .
N6 N 1.0229(3) 0.7431(3) 0.4875(2) 0.0238(9) Uani 1 1 d . . . . .
N7 N 0.9593(3) 0.6837(3) 0.4380(2) 0.0241(9) Uani 1 1 d . . . . .
N8 N 0.8500(3) 0.6920(3) 0.4601(2) 0.0191(8) Uani 1 1 d . . . . .
C21 C 0.7380(3) 0.7968(3) 0.5764(2) 0.0182(9) Uani 1 1 d . . . . .
C22 C 0.6933(3) 0.7698(3) 0.6610(2) 0.0193(9) Uani 1 1 d . . . . .
C23 C 0.8121(4) 0.7664(4) 0.8138(3) 0.0404(14) Uani 1 1 d . . . . .
H23A H 0.855194 0.822196 0.809425 0.061 Uiso 1 1 calc GR . . . .
H23B H 0.857939 0.732187 0.839667 0.061 Uiso 1 1 calc GR . . . .
H23C H 0.746355 0.782712 0.845269 0.061 Uiso 1 1 calc GR . . . .
C24 C 0.6669(4) 0.5990(4) 0.7221(4) 0.0449(15) Uani 1 1 d . . . . .
H24A H 0.609995 0.622692 0.759911 0.067 Uiso 1 1 calc GR . . . .
H24B H 0.705473 0.554006 0.740272 0.067 Uiso 1 1 calc GR . . . .
H24C H 0.631766 0.569686 0.670159 0.067 Uiso 1 1 calc GR . . . .
C25 C 0.8925(4) 0.6474(4) 0.6617(3) 0.0310(11) Uani 1 1 d . . . . .
H25A H 0.868841 0.601303 0.612572 0.047 Uiso 1 1 calc GR . . . .
H25B H 0.933690 0.619095 0.695487 0.047 Uiso 1 1 calc GR . . . .
H25C H 0.940282 0.696726 0.649283 0.047 Uiso 1 1 calc GR . . . .
C26 C 1.0676(4) 0.8677(4) 0.7105(3) 0.0391(13) Uani 1 1 d . . . . .
H26A H 0.995609 0.868708 0.736024 0.059 Uiso 1 1 calc GR . . . .
H26B H 1.120041 0.915541 0.743208 0.059 Uiso 1 1 calc GR . . . .
H26C H 1.096010 0.807900 0.704186 0.059 Uiso 1 1 calc GR . . . .
C27 C 1.1885(4) 0.8880(4) 0.5659(3) 0.0429(14) Uani 1 1 d . . . . .
H27A H 1.219041 0.829607 0.562670 0.064 Uiso 1 1 calc GR . . . .
H27B H 1.238595 0.938165 0.598055 0.064 Uiso 1 1 calc GR . . . .
H27C H 1.180843 0.895894 0.512592 0.064 Uiso 1 1 calc GR . . . .
C28 C 0.9945(5) 1.0008(4) 0.6175(3) 0.0391(13) Uani 1 1 d . . . . .
H28A H 0.971235 1.002697 0.564563 0.059 Uiso 1 1 calc GR . . . .
H28B H 1.051984 1.050739 0.638908 0.059 Uiso 1 1 calc GR . . . .
H28C H 0.930520 1.007815 0.652218 0.059 Uiso 1 1 calc GR . . . .
C29 C 0.7693(3) 0.6407(3) 0.4003(2) 0.0186(9) Uani 1 1 d . . . . .
C30 C 0.7226(4) 0.5546(3) 0.4042(3) 0.0236(10) Uani 1 1 d . . . . .
C31 C 0.6396(4) 0.5105(4) 0.3482(3) 0.0319(12) Uani 1 1 d . . . . .
H31 H 0.604331 0.453159 0.350392 0.038 Uiso 1 1 calc R . . . .
C32 C 0.6084(4) 0.5493(3) 0.2896(3) 0.0311(12) Uani 1 1 d . . . . .
H32 H 0.550236 0.519308 0.253126 0.037 Uiso 1 1 calc R . . . .
C33 C 0.6610(4) 0.6311(3) 0.2837(3) 0.0266(11) Uani 1 1 d . . . . .
H33 H 0.641474 0.654789 0.241138 0.032 Uiso 1 1 calc R . . . .
C34 C 0.7422(4) 0.6796(3) 0.3389(3) 0.0224(10) Uani 1 1 d . . . . .
C35 C 0.8003(4) 0.7686(3) 0.3297(3) 0.0250(10) Uani 1 1 d . . . . .
H35 H 0.842936 0.799576 0.379796 0.030 Uiso 1 1 calc R . . . .
C36 C 0.8832(4) 0.7464(4) 0.2625(3) 0.0376(13) Uani 1 1 d . . . . .
H36A H 0.934855 0.704877 0.273574 0.056 Uiso 1 1 calc GR . . . .
H36B H 0.924755 0.802978 0.258521 0.056 Uiso 1 1 calc GR . . . .
H36C H 0.842940 0.717015 0.212510 0.056 Uiso 1 1 calc GR . . . .
C37 C 0.7184(4) 0.8346(4) 0.3143(3) 0.0348(12) Uani 1 1 d . . . . .
H37A H 0.673800 0.804716 0.266378 0.052 Uiso 1 1 calc GR . . . .
H37B H 0.759862 0.889978 0.307505 0.052 Uiso 1 1 calc GR . . . .
H37C H 0.669375 0.851087 0.359433 0.052 Uiso 1 1 calc GR . . . .
C38 C 0.7618(4) 0.5061(3) 0.4628(3) 0.0292(11) Uani 1 1 d . . . . .
H38 H 0.789999 0.555109 0.510619 0.035 Uiso 1 1 calc R . . . .
C39 C 0.8625(5) 0.4538(4) 0.4289(4) 0.0479(15) Uani 1 1 d . . . . .
H39A H 0.838239 0.402994 0.383124 0.072 Uiso 1 1 calc GR . . . .
H39B H 0.894926 0.429818 0.469559 0.072 Uiso 1 1 calc GR . . . .
H39C H 0.918074 0.495371 0.412658 0.072 Uiso 1 1 calc GR . . . .
C40 C 0.6770(5) 0.4464(4) 0.4907(4) 0.0515(16) Uani 1 1 d . . . . .
H40A H 0.653064 0.393106 0.446911 0.077 Uiso 1 1 calc GR . . . .
H40B H 0.612998 0.480700 0.509945 0.077 Uiso 1 1 calc GR . . . .
H40C H 0.708810 0.426020 0.533679 0.077 Uiso 1 1 calc GR . . . .
B12 B 0.8466(4) 0.7631(4) 0.5318(3) 0.0199(11) Uani 1 1 d . . . . .
B13 B 0.7483(4) 0.8799(4) 0.6661(3) 0.0218(11) Uani 1 1 d . . . . .
H13A H 0.829592 0.909837 0.696590 0.026 Uiso 1 1 calc R . . . .
B14 B 0.6239(4) 0.7199(4) 0.5722(3) 0.0211(11) Uani 1 1 d . . . . .
H14 H 0.623674 0.645324 0.541384 0.025 Uiso 1 1 calc R . . . .
B15 B 0.6253(4) 0.8056(4) 0.5198(3) 0.0207(11) Uani 1 1 d . . . . .
H15A H 0.624241 0.787844 0.453641 0.025 Uiso 1 1 calc R . . . .
B16 B 0.7032(4) 0.9054(4) 0.5778(3) 0.0234(11) Uani 1 1 d . . . . .
H16 H 0.753624 0.952928 0.549824 0.028 Uiso 1 1 calc R . . . .
B17 B 0.6291(4) 0.8596(4) 0.7191(3) 0.0240(11) Uani 1 1 d . . . . .
H17 H 0.630778 0.877283 0.785308 0.029 Uiso 1 1 calc R . . . .
B18 B 0.5507(4) 0.7606(4) 0.6609(3) 0.0203(11) Uani 1 1 d . . . . .
H18A H 0.499856 0.712849 0.688425 0.024 Uiso 1 1 calc R . . . .
B19 B 0.5069(4) 0.7838(4) 0.5727(3) 0.0207(11) Uani 1 1 d . . . . .
H19 H 0.427313 0.751073 0.541103 0.025 Uiso 1 1 calc R . . . .
B20 B 0.6328(4) 0.9458(4) 0.6676(3) 0.0243(11) Uani 1 1 d . . . . .
H20 H 0.637170 1.020435 0.699194 0.029 Uiso 1 1 calc R . . . .
B21 B 0.5558(4) 0.8983(4) 0.5789(3) 0.0231(11) Uani 1 1 d . . . . .
H21 H 0.507434 0.942431 0.551941 0.028 Uiso 1 1 calc R . . . .
B22 B 0.5099(5) 0.8707(4) 0.6637(3) 0.0246(12) Uani 1 1 d . . . . .
H22 H 0.431982 0.895736 0.692840 0.030 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C2 1.942(4) . ?
Si1 C3 1.862(5) . ?
Si1 C4 1.857(5) . ?
Si1 C5 1.854(5) . ?
Si2 N1 1.811(4) . ?
Si2 C6 1.863(5) . ?
Si2 C7 1.853(5) . ?
Si2 C8 1.859(5) . ?
N1 N2 1.409(5) . ?
N1 B1 1.433(6) . ?
N2 N3 1.271(5) . ?
N3 N4 1.391(5) . ?
N4 C9 1.448(5) . ?
N4 B1 1.417(6) . ?
C1 C2 1.713(5) . ?
C1 B1 1.594(6) . ?
C1 B2 1.726(6) . ?
C1 B3 1.724(6) . ?
C1 B6 1.707(6) . ?
C1 B7 1.710(6) . ?
C2 B2 1.717(7) . ?
C2 B3 1.722(6) . ?
C2 B4 1.723(6) . ?
C2 B5 1.727(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.403(6) . ?
C9 C14 1.408(6) . ?
C10 C11 1.406(6) . ?
C10 C18 1.520(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(6) . ?
C14 C15 1.514(6) . ?
C15 H15 1.0000 . ?
C15 C16 1.540(6) . ?
C15 C17 1.512(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.535(7) . ?
C18 C20 1.525(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B2 H2 1.1200 . ?
B2 B5 1.778(7) . ?
B2 B6 1.769(7) . ?
B2 B9 1.769(7) . ?
B3 H3 1.1200 . ?
B3 B4 1.779(7) . ?
B3 B7 1.773(7) . ?
B3 B8 1.784(6) . ?
B4 H4 1.1200 . ?
B4 B5 1.774(7) . ?
B4 B8 1.763(7) . ?
B4 B11 1.775(7) . ?
B5 H5 1.1200 . ?
B5 B9 1.768(8) . ?
B5 B11 1.775(7) . ?
B6 H6 1.1200 . ?
B6 B7 1.777(7) . ?
B6 B9 1.766(7) . ?
B6 B10 1.784(7) . ?
B7 H7 1.1200 . ?
B7 B8 1.771(7) . ?
B7 B10 1.784(7) . ?
B8 H8 1.1200 . ?
B8 B10 1.794(7) . ?
B8 B11 1.790(7) . ?
B9 H9 1.1200 . ?
B9 B10 1.795(8) . ?
B9 B11 1.786(7) . ?
B10 H10 1.1200 . ?
B10 B11 1.762(8) . ?
B11 H11A 1.1200 . ?
Si3 C22 1.935(4) . ?
Si3 C23 1.846(5) . ?
Si3 C24 1.864(5) . ?
Si3 C25 1.858(5) . ?
Si4 N5 1.822(4) . ?
Si4 C26 1.860(5) . ?
Si4 C27 1.847(5) . ?
Si4 C28 1.872(6) . ?
N5 N6 1.407(5) . ?
N5 B12 1.434(6) . ?
N6 N7 1.276(5) . ?
N7 N8 1.386(5) . ?
N8 C29 1.448(5) . ?
N8 B12 1.427(6) . ?
C21 C22 1.721(5) . ?
C21 B12 1.582(7) . ?
C21 B13 1.734(6) . ?
C21 B14 1.721(6) . ?
C21 B15 1.723(6) . ?
C21 B16 1.736(7) . ?
C22 B13 1.731(7) . ?
C22 B14 1.723(6) . ?
C22 B17 1.718(7) . ?
C22 B18 1.719(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.402(6) . ?
C29 C34 1.413(6) . ?
C30 C31 1.399(7) . ?
C30 C38 1.515(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.395(6) . ?
C34 C35 1.521(7) . ?
C35 H35 1.0000 . ?
C35 C36 1.535(7) . ?
C35 C37 1.543(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.544(7) . ?
C38 C40 1.484(7) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
B13 H13A 1.1200 . ?
B13 B16 1.793(7) . ?
B13 B17 1.767(7) . ?
B13 B20 1.785(7) . ?
B14 H14 1.1200 . ?
B14 B15 1.788(7) . ?
B14 B18 1.781(7) . ?
B14 B19 1.785(7) . ?
B15 H15A 1.1200 . ?
B15 B16 1.778(7) . ?
B15 B19 1.764(7) . ?
B15 B21 1.788(7) . ?
B16 H16 1.1200 . ?
B16 B20 1.779(7) . ?
B16 B21 1.778(7) . ?
B17 H17 1.1200 . ?
B17 B18 1.774(7) . ?
B17 B20 1.782(7) . ?
B17 B22 1.784(7) . ?
B18 H18A 1.1200 . ?
B18 B19 1.769(7) . ?
B18 B22 1.775(7) . ?
B19 H19 1.1200 . ?
B19 B21 1.769(7) . ?
B19 B22 1.779(7) . ?
B20 H20 1.1200 . ?
B20 B21 1.761(7) . ?
B20 B22 1.788(8) . ?
B21 H21 1.1200 . ?
B21 B22 1.732(7) . ?
B22 H22 1.1200 . ?

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
C3 Si1 C2 107.8(2) . . ?
C4 Si1 C2 113.36(19) . . ?
C4 Si1 C3 109.8(2) . . ?
C5 Si1 C2 108.2(2) . . ?
C5 Si1 C3 108.9(2) . . ?
C5 Si1 C4 108.8(2) . . ?
N1 Si2 C6 110.8(2) . . ?
N1 Si2 C7 109.1(2) . . ?
N1 Si2 C8 108.1(2) . . ?
C7 Si2 C6 112.4(3) . . ?
C7 Si2 C8 110.0(2) . . ?
C8 Si2 C6 106.3(2) . . ?
N2 N1 Si2 110.6(2) . . ?
N2 N1 B1 106.7(3) . . ?
B1 N1 Si2 142.4(3) . . ?
N3 N2 N1 111.1(3) . . ?
N2 N3 N4 109.5(3) . . ?
N3 N4 C9 113.7(3) . . ?
N3 N4 B1 109.0(3) . . ?
B1 N4 C9 136.5(3) . . ?
C2 C1 B2 59.9(3) . . ?
C2 C1 B3 60.1(2) . . ?
B1 C1 C2 125.2(3) . . ?
B1 C1 B2 120.2(3) . . ?
B1 C1 B3 119.9(3) . . ?
B1 C1 B6 116.8(3) . . ?
B1 C1 B7 116.8(3) . . ?
B3 C1 B2 111.4(3) . . ?
B6 C1 C2 109.4(3) . . ?
B6 C1 B2 62.0(3) . . ?
B6 C1 B3 113.2(3) . . ?
B6 C1 B7 62.6(3) . . ?
B7 C1 C2 109.5(3) . . ?
B7 C1 B2 112.9(3) . . ?
B7 C1 B3 62.2(3) . . ?
C1 C2 Si1 125.0(3) . . ?
C1 C2 B2 60.4(3) . . ?
C1 C2 B3 60.3(2) . . ?
C1 C2 B4 109.4(3) . . ?
C1 C2 B5 109.7(3) . . ?
B2 C2 Si1 120.4(3) . . ?
B2 C2 B3 112.0(3) . . ?
B2 C2 B4 112.5(3) . . ?
B2 C2 B5 62.2(3) . . ?
B3 C2 Si1 119.3(3) . . ?
B3 C2 B4 62.2(3) . . ?
B3 C2 B5 112.9(3) . . ?
B4 C2 Si1 116.9(3) . . ?
B4 C2 B5 61.9(3) . . ?
B5 C2 Si1 117.1(3) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N4 117.7(4) . . ?
C10 C9 C14 122.7(4) . . ?
C14 C9 N4 119.5(4) . . ?
C9 C10 C11 117.2(4) . . ?
C9 C10 C18 123.2(4) . . ?
C11 C10 C18 119.6(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.1(4) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.6(4) . . ?
C14 C13 H13 119.2 . . ?
C9 C14 C15 121.3(4) . . ?
C13 C14 C9 117.1(4) . . ?
C13 C14 C15 121.6(4) . . ?
C14 C15 H15 107.5 . . ?
C14 C15 C16 109.4(4) . . ?
C16 C15 H15 107.5 . . ?
C17 C15 C14 114.4(4) . . ?
C17 C15 H15 107.5 . . ?
C17 C15 C16 110.2(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C10 C18 H18 108.0 . . ?
C10 C18 C19 109.3(4) . . ?
C10 C18 C20 113.2(4) . . ?
C19 C18 H18 108.0 . . ?
C20 C18 H18 108.0 . . ?
C20 C18 C19 110.2(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 B1 C1 130.7(4) . . ?
N4 B1 N1 103.8(3) . . ?
N4 B1 C1 125.4(4) . . ?
C1 B2 H2 123.0 . . ?
C1 B2 B5 106.8(3) . . ?
C1 B2 B6 58.4(3) . . ?
C1 B2 B9 105.9(3) . . ?
C2 B2 C1 59.7(2) . . ?
C2 B2 H2 122.8 . . ?
C2 B2 B5 59.2(3) . . ?
C2 B2 B6 106.3(3) . . ?
C2 B2 B9 106.2(3) . . ?
B5 B2 H2 121.9 . . ?
B6 B2 H2 122.4 . . ?
B6 B2 B5 107.6(4) . . ?
B9 B2 H2 122.7 . . ?
B9 B2 B5 59.8(3) . . ?
B9 B2 B6 59.9(3) . . ?
C1 B3 H3 123.1 . . ?
C1 B3 B4 106.3(3) . . ?
C1 B3 B7 58.5(3) . . ?
C1 B3 B8 105.6(3) . . ?
C2 B3 C1 59.6(2) . . ?
C2 B3 H3 122.9 . . ?
C2 B3 B4 58.9(2) . . ?
C2 B3 B7 106.2(3) . . ?
C2 B3 B8 105.7(3) . . ?
B4 B3 H3 122.5 . . ?
B4 B3 B8 59.3(3) . . ?
B7 B3 H3 122.5 . . ?
B7 B3 B4 107.0(3) . . ?
B7 B3 B8 59.7(3) . . ?
B8 B3 H3 123.0 . . ?
C2 B4 B3 58.9(2) . . ?
C2 B4 H4 123.7 . . ?
C2 B4 B5 59.2(3) . . ?
C2 B4 B8 106.6(3) . . ?
C2 B4 B11 106.1(3) . . ?
B3 B4 H4 121.5 . . ?
B5 B4 B3 108.0(3) . . ?
B5 B4 H4 121.4 . . ?
B5 B4 B11 60.0(3) . . ?
B8 B4 B3 60.5(3) . . ?
B8 B4 H4 121.2 . . ?
B8 B4 B5 109.0(4) . . ?
B8 B4 B11 60.8(3) . . ?
B11 B4 B3 108.6(4) . . ?
B11 B4 H4 121.8 . . ?
C2 B5 B2 58.6(3) . . ?
C2 B5 B4 59.0(3) . . ?
C2 B5 H5 123.9 . . ?
C2 B5 B9 105.8(3) . . ?
C2 B5 B11 105.9(3) . . ?
B2 B5 H5 122.1 . . ?
B4 B5 B2 107.2(3) . . ?
B4 B5 H5 121.7 . . ?
B4 B5 B11 60.0(3) . . ?
B9 B5 B2 59.9(3) . . ?
B9 B5 B4 108.3(4) . . ?
B9 B5 H5 121.8 . . ?
B9 B5 B11 60.5(3) . . ?
B11 B5 B2 107.9(4) . . ?
B11 B5 H5 121.9 . . ?
C1 B6 B2 59.5(3) . . ?
C1 B6 H6 123.4 . . ?
C1 B6 B7 58.8(3) . . ?
C1 B6 B9 106.8(4) . . ?
C1 B6 B10 106.3(3) . . ?
B2 B6 H6 121.6 . . ?
B2 B6 B7 107.7(4) . . ?
B2 B6 B10 108.4(4) . . ?
B7 B6 H6 121.7 . . ?
B7 B6 B10 60.1(3) . . ?
B9 B6 B2 60.1(3) . . ?
B9 B6 H6 121.4 . . ?
B9 B6 B7 108.7(4) . . ?
B9 B6 B10 60.8(3) . . ?
B10 B6 H6 121.7 . . ?
C1 B7 B3 59.3(2) . . ?
C1 B7 B6 58.6(3) . . ?
C1 B7 H7 123.6 . . ?
C1 B7 B8 106.8(3) . . ?
C1 B7 B10 106.2(3) . . ?
B3 B7 B6 107.5(3) . . ?
B3 B7 H7 121.5 . . ?
B3 B7 B10 108.7(3) . . ?
B6 B7 H7 121.9 . . ?
B6 B7 B10 60.2(3) . . ?
B8 B7 B3 60.5(3) . . ?
B8 B7 B6 108.5(4) . . ?
B8 B7 H7 121.3 . . ?
B8 B7 B10 60.6(3) . . ?
B10 B7 H7 121.6 . . ?
B3 B8 H8 121.7 . . ?
B3 B8 B10 107.7(3) . . ?
B3 B8 B11 107.7(3) . . ?
B4 B8 B3 60.2(3) . . ?
B4 B8 B7 107.8(3) . . ?
B4 B8 H8 121.8 . . ?
B4 B8 B10 107.2(4) . . ?
B4 B8 B11 59.9(3) . . ?
B7 B8 B3 59.8(3) . . ?
B7 B8 H8 122.0 . . ?
B7 B8 B10 60.0(3) . . ?
B7 B8 B11 107.0(4) . . ?
B10 B8 H8 122.3 . . ?
B11 B8 H8 122.4 . . ?
B11 B8 B10 58.9(3) . . ?
B2 B9 H9 121.5 . . ?
B2 B9 B10 108.0(3) . . ?
B2 B9 B11 107.8(4) . . ?
B5 B9 B2 60.3(3) . . ?
B5 B9 H9 121.6 . . ?
B5 B9 B10 107.4(4) . . ?
B5 B9 B11 59.9(3) . . ?
B6 B9 B2 60.1(3) . . ?
B6 B9 B5 108.2(4) . . ?
B6 B9 H9 121.7 . . ?
B6 B9 B10 60.1(3) . . ?
B6 B9 B11 107.2(4) . . ?
B10 B9 H9 122.2 . . ?
B11 B9 H9 122.4 . . ?
B11 B9 B10 59.0(3) . . ?
B6 B10 B8 107.2(4) . . ?
B6 B10 B9 59.1(3) . . ?
B6 B10 H10 122.4 . . ?
B7 B10 B6 59.7(3) . . ?
B7 B10 B8 59.3(3) . . ?
B7 B10 B9 107.1(4) . . ?
B7 B10 H10 122.3 . . ?
B8 B10 B9 108.0(4) . . ?
B8 B10 H10 121.8 . . ?
B9 B10 H10 122.0 . . ?
B11 B10 B6 107.5(4) . . ?
B11 B10 B7 107.7(4) . . ?
B11 B10 B8 60.4(3) . . ?
B11 B10 B9 60.3(3) . . ?
B11 B10 H10 121.5 . . ?
B4 B11 B5 60.0(3) . . ?
B4 B11 B8 59.3(3) . . ?
B4 B11 B9 107.5(4) . . ?
B4 B11 H11A 122.3 . . ?
B5 B11 B8 107.8(3) . . ?
B5 B11 B9 59.5(3) . . ?
B5 B11 H11A 121.8 . . ?
B8 B11 H11A 121.6 . . ?
B9 B11 B8 108.6(4) . . ?
B9 B11 H11A 121.6 . . ?
B10 B11 B4 108.1(4) . . ?
B10 B11 B5 108.6(4) . . ?
B10 B11 B8 60.7(3) . . ?
B10 B11 B9 60.8(3) . . ?
B10 B11 H11A 120.9 . . ?
C23 Si3 C22 108.0(2) . . ?
C23 Si3 C24 110.0(3) . . ?
C23 Si3 C25 108.9(2) . . ?
C24 Si3 C22 107.4(2) . . ?
C25 Si3 C22 113.5(2) . . ?
C25 Si3 C24 109.1(3) . . ?
N5 Si4 C26 110.3(2) . . ?
N5 Si4 C27 107.3(2) . . ?
N5 Si4 C28 109.4(2) . . ?
C26 Si4 C28 112.6(3) . . ?
C27 Si4 C26 108.3(3) . . ?
C27 Si4 C28 108.8(3) . . ?
N6 N5 Si4 110.2(3) . . ?
N6 N5 B12 107.2(3) . . ?
B12 N5 Si4 142.2(3) . . ?
N7 N6 N5 110.8(3) . . ?
N6 N7 N8 109.7(4) . . ?
N7 N8 C29 114.3(3) . . ?
N7 N8 B12 109.1(4) . . ?
B12 N8 C29 135.5(4) . . ?
C22 C21 B13 60.1(3) . . ?
C22 C21 B14 60.1(3) . . ?
C22 C21 B15 109.7(3) . . ?
C22 C21 B16 109.8(3) . . ?
B12 C21 C22 124.1(3) . . ?
B12 C21 B13 120.1(4) . . ?
B12 C21 B14 119.5(4) . . ?
B12 C21 B15 117.7(3) . . ?
B12 C21 B16 117.7(4) . . ?
B13 C21 B16 62.2(3) . . ?
B14 C21 B13 111.4(3) . . ?
B14 C21 B15 62.5(3) . . ?
B14 C21 B16 113.0(3) . . ?
B15 C21 B13 112.4(3) . . ?
B15 C21 B16 61.9(3) . . ?
C21 C22 Si3 124.8(3) . . ?
C21 C22 B13 60.3(3) . . ?
C21 C22 B14 60.0(3) . . ?
B13 C22 Si3 120.1(3) . . ?
B14 C22 Si3 119.9(3) . . ?
B14 C22 B13 111.5(3) . . ?
B17 C22 Si3 117.3(3) . . ?
B17 C22 C21 109.3(3) . . ?
B17 C22 B13 61.7(3) . . ?
B17 C22 B14 112.9(3) . . ?
B17 C22 B18 62.2(3) . . ?
B18 C22 Si3 117.5(3) . . ?
B18 C22 C21 109.3(3) . . ?
B18 C22 B13 112.2(3) . . ?
B18 C22 B14 62.3(3) . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si4 C27 H27A 109.5 . . ?
Si4 C27 H27B 109.5 . . ?
Si4 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si4 C28 H28A 109.5 . . ?
Si4 C28 H28B 109.5 . . ?
Si4 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 N8 119.7(4) . . ?
C30 C29 C34 122.4(4) . . ?
C34 C29 N8 117.9(4) . . ?
C29 C30 C38 123.1(4) . . ?
C31 C30 C29 117.5(4) . . ?
C31 C30 C38 119.3(4) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.9(5) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(5) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.3(5) . . ?
C34 C33 H33 119.4 . . ?
C29 C34 C35 122.9(4) . . ?
C33 C34 C29 117.1(4) . . ?
C33 C34 C35 119.9(4) . . ?
C34 C35 H35 108.1 . . ?
C34 C35 C36 108.9(4) . . ?
C34 C35 C37 112.7(4) . . ?
C36 C35 H35 108.1 . . ?
C36 C35 C37 110.8(4) . . ?
C37 C35 H35 108.1 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C30 C38 H38 106.4 . . ?
C30 C38 C39 109.1(4) . . ?
C39 C38 H38 106.4 . . ?
C40 C38 C30 116.7(5) . . ?
C40 C38 H38 106.4 . . ?
C40 C38 C39 111.3(5) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N5 B12 C21 131.0(4) . . ?
N8 B12 N5 103.2(4) . . ?
N8 B12 C21 125.7(4) . . ?
C21 B13 H13A 123.0 . . ?
C21 B13 B16 58.9(3) . . ?
C21 B13 B17 106.5(4) . . ?
C21 B13 B20 105.9(3) . . ?
C22 B13 C21 59.6(3) . . ?
C22 B13 H13A 122.8 . . ?
C22 B13 B16 106.7(3) . . ?
C22 B13 B17 58.8(3) . . ?
C22 B13 B20 106.2(4) . . ?
B16 B13 H13A 122.1 . . ?
B17 B13 H13A 122.0 . . ?
B17 B13 B16 107.8(4) . . ?
B17 B13 B20 60.2(3) . . ?
B20 B13 H13A 122.6 . . ?
B20 B13 B16 59.6(3) . . ?
C21 B14 C22 59.9(3) . . ?
C21 B14 H14 122.9 . . ?
C21 B14 B15 58.8(3) . . ?
C21 B14 B18 106.5(4) . . ?
C21 B14 B19 105.2(4) . . ?
C22 B14 H14 122.8 . . ?
C22 B14 B15 106.6(4) . . ?
C22 B14 B18 58.7(3) . . ?
C22 B14 B19 105.5(3) . . ?
B15 B14 H14 122.4 . . ?
B18 B14 H14 122.4 . . ?
B18 B14 B15 107.0(4) . . ?
B18 B14 B19 59.5(3) . . ?
B19 B14 H14 123.4 . . ?
B19 B14 B15 59.2(3) . . ?
C21 B15 B14 58.7(3) . . ?
C21 B15 H15A 123.8 . . ?
C21 B15 B16 59.4(3) . . ?
C21 B15 B19 106.1(3) . . ?
C21 B15 B21 105.4(3) . . ?
B14 B15 H15A 121.9 . . ?
B14 B15 B21 107.3(4) . . ?
B16 B15 B14 107.9(3) . . ?
B16 B15 H15A 121.4 . . ?
B16 B15 B21 59.8(3) . . ?
B19 B15 B14 60.3(3) . . ?
B19 B15 H15A 121.8 . . ?
B19 B15 B16 108.3(4) . . ?
B19 B15 B21 59.7(3) . . ?
B21 B15 H15A 122.7 . . ?
C21 B16 B13 58.9(3) . . ?
C21 B16 B15 58.7(3) . . ?
C21 B16 H16 123.8 . . ?
C21 B16 B20 106.1(3) . . ?
C21 B16 B21 105.3(4) . . ?
B13 B16 H16 122.4 . . ?
B15 B16 B13 107.1(4) . . ?
B15 B16 H16 121.6 . . ?
B15 B16 B20 108.3(4) . . ?
B15 B16 B21 60.4(3) . . ?
B20 B16 B13 60.0(3) . . ?
B20 B16 H16 121.9 . . ?
B21 B16 B13 106.6(4) . . ?
B21 B16 H16 122.8 . . ?
B21 B16 B20 59.4(3) . . ?
C22 B17 B13 59.5(3) . . ?
C22 B17 H17 123.3 . . ?
C22 B17 B18 59.0(3) . . ?
C22 B17 B20 107.0(4) . . ?
C22 B17 B22 106.0(4) . . ?
B13 B17 H17 121.4 . . ?
B13 B17 B18 107.9(4) . . ?
B13 B17 B20 60.4(3) . . ?
B13 B17 B22 108.1(4) . . ?
B18 B17 H17 121.8 . . ?
B18 B17 B20 108.3(4) . . ?
B18 B17 B22 59.8(3) . . ?
B20 B17 H17 121.5 . . ?
B20 B17 B22 60.2(3) . . ?
B22 B17 H17 122.2 . . ?
C22 B18 B14 59.0(3) . . ?
C22 B18 B17 58.9(3) . . ?
C22 B18 H18A 123.6 . . ?
C22 B18 B19 106.3(3) . . ?
C22 B18 B22 106.4(4) . . ?
B14 B18 H18A 121.6 . . ?
B17 B18 B14 107.6(4) . . ?
B17 B18 H18A 121.7 . . ?
B17 B18 B22 60.3(3) . . ?
B19 B18 B14 60.4(3) . . ?
B19 B18 B17 108.3(4) . . ?
B19 B18 H18A 121.7 . . ?
B19 B18 B22 60.3(3) . . ?
B22 B18 B14 108.4(4) . . ?
B22 B18 H18A 121.6 . . ?
B14 B19 H19 121.3 . . ?
B15 B19 B14 60.5(3) . . ?
B15 B19 B18 108.6(3) . . ?
B15 B19 H19 121.0 . . ?
B15 B19 B21 60.8(3) . . ?
B15 B19 B22 108.0(4) . . ?
B18 B19 B14 60.2(3) . . ?
B18 B19 H19 121.8 . . ?
B18 B19 B22 60.0(3) . . ?
B21 B19 B14 108.3(3) . . ?
B21 B19 B18 106.9(4) . . ?
B21 B19 H19 122.3 . . ?
B21 B19 B22 58.5(3) . . ?
B22 B19 B14 108.1(4) . . ?
B22 B19 H19 122.2 . . ?
B13 B20 H20 121.9 . . ?
B13 B20 B22 107.2(4) . . ?
B16 B20 B13 60.4(3) . . ?
B16 B20 B17 107.8(4) . . ?
B16 B20 H20 121.4 . . ?
B16 B20 B22 107.2(4) . . ?
B17 B20 B13 59.4(3) . . ?
B17 B20 H20 122.2 . . ?
B17 B20 B22 60.0(3) . . ?
B21 B20 B13 107.6(4) . . ?
B21 B20 B16 60.3(3) . . ?
B21 B20 B17 106.6(4) . . ?
B21 B20 H20 122.5 . . ?
B21 B20 B22 58.4(3) . . ?
B22 B20 H20 122.6 . . ?
B15 B21 H21 121.9 . . ?
B16 B21 B15 59.8(3) . . ?
B16 B21 H21 121.5 . . ?
B19 B21 B15 59.5(3) . . ?
B19 B21 B16 108.1(4) . . ?
B19 B21 H21 121.3 . . ?
B20 B21 B15 108.6(4) . . ?
B20 B21 B16 60.3(3) . . ?
B20 B21 B19 109.9(4) . . ?
B20 B21 H21 120.5 . . ?
B22 B21 B15 109.0(4) . . ?
B22 B21 B16 109.7(4) . . ?
B22 B21 B19 61.1(3) . . ?
B22 B21 B20 61.6(3) . . ?
B22 B21 H21 120.1 . . ?
B17 B22 B20 59.8(3) . . ?
B17 B22 H22 122.2 . . ?
B18 B22 B17 59.8(3) . . ?
B18 B22 B19 59.7(3) . . ?
B18 B22 B20 108.0(4) . . ?
B18 B22 H22 121.8 . . ?
B19 B22 B17 107.4(4) . . ?
B19 B22 B20 108.2(4) . . ?
B19 B22 H22 121.8 . . ?
B20 B22 H22 121.6 . . ?
B21 B22 B17 107.7(4) . . ?
B21 B22 B18 108.2(4) . . ?
B21 B22 B19 60.5(3) . . ?
B21 B22 B20 60.0(3) . . ?
B21 B22 H22 121.5 . . ?

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
Si1 C2 B2 C1 -115.6(3) . . . . ?
Si1 C2 B2 B5 106.8(3) . . . . ?
Si1 C2 B2 B6 -152.1(3) . . . . ?
Si1 C2 B2 B9 145.2(3) . . . . ?
Si1 C2 B3 C1 115.9(3) . . . . ?
Si1 C2 B3 B4 -106.9(3) . . . . ?
Si1 C2 B3 B7 152.7(3) . . . . ?
Si1 C2 B3 B8 -144.9(3) . . . . ?
Si1 C2 B4 B3 110.7(3) . . . . ?
Si1 C2 B4 B5 -108.0(3) . . . . ?
Si1 C2 B4 B8 149.4(3) . . . . ?
Si1 C2 B4 B11 -147.0(3) . . . . ?
Si1 C2 B5 B2 -111.8(3) . . . . ?
Si1 C2 B5 B4 107.7(3) . . . . ?
Si1 C2 B5 B9 -150.2(3) . . . . ?
Si1 C2 B5 B11 146.6(3) . . . . ?
Si2 N1 N2 N3 174.9(3) . . . . ?
Si2 N1 B1 N4 -172.2(4) . . . . ?
Si2 N1 B1 C1 3.3(8) . . . . ?
N1 N2 N3 N4 0.0(4) . . . . ?
N2 N1 B1 N4 0.6(4) . . . . ?
N2 N1 B1 C1 176.0(4) . . . . ?
N2 N3 N4 C9 -171.1(3) . . . . ?
N2 N3 N4 B1 0.4(4) . . . . ?
N3 N4 C9 C10 81.9(4) . . . . ?
N3 N4 C9 C14 -97.7(4) . . . . ?
N3 N4 B1 N1 -0.6(4) . . . . ?
N3 N4 B1 C1 -176.4(4) . . . . ?
N4 C9 C10 C11 177.7(4) . . . . ?
N4 C9 C10 C18 -2.7(6) . . . . ?
N4 C9 C14 C13 -176.5(4) . . . . ?
N4 C9 C14 C15 6.3(6) . . . . ?
C1 C2 B2 B5 -137.6(3) . . . . ?
C1 C2 B2 B6 -36.5(3) . . . . ?
C1 C2 B2 B9 -99.2(4) . . . . ?
C1 C2 B3 B4 137.2(3) . . . . ?
C1 C2 B3 B7 36.8(3) . . . . ?
C1 C2 B3 B8 99.2(3) . . . . ?
C1 C2 B4 B3 -38.7(3) . . . . ?
C1 C2 B4 B5 102.6(4) . . . . ?
C1 C2 B4 B8 0.0(4) . . . . ?
C1 C2 B4 B11 63.6(4) . . . . ?
C1 C2 B5 B2 38.5(3) . . . . ?
C1 C2 B5 B4 -102.0(3) . . . . ?
C1 C2 B5 B9 0.2(4) . . . . ?
C1 C2 B5 B11 -63.1(4) . . . . ?
C1 B2 B5 C2 -37.4(3) . . . . ?
C1 B2 B5 B4 -2.7(5) . . . . ?
C1 B2 B5 B9 98.9(4) . . . . ?
C1 B2 B5 B11 60.6(4) . . . . ?
C1 B2 B6 B7 -34.9(3) . . . . ?
C1 B2 B6 B9 -136.6(4) . . . . ?
C1 B2 B6 B10 -98.5(4) . . . . ?
C1 B2 B9 B5 -100.5(4) . . . . ?
C1 B2 B9 B6 37.5(3) . . . . ?
C1 B2 B9 B10 -0.3(5) . . . . ?
C1 B2 B9 B11 -62.5(4) . . . . ?
C1 B3 B4 C2 37.7(3) . . . . ?
C1 B3 B4 B5 3.4(4) . . . . ?
C1 B3 B4 B8 -98.8(4) . . . . ?
C1 B3 B4 B11 -60.2(4) . . . . ?
C1 B3 B7 B6 34.5(3) . . . . ?
C1 B3 B7 B8 136.3(4) . . . . ?
C1 B3 B7 B10 98.2(4) . . . . ?
C1 B3 B8 B4 100.0(3) . . . . ?
C1 B3 B8 B7 -37.7(3) . . . . ?
C1 B3 B8 B10 -0.1(4) . . . . ?
C1 B3 B8 B11 62.1(4) . . . . ?
C1 B6 B7 B3 -34.8(3) . . . . ?
C1 B6 B7 B8 -98.8(4) . . . . ?
C1 B6 B7 B10 -136.7(4) . . . . ?
C1 B6 B9 B2 -38.2(3) . . . . ?
C1 B6 B9 B5 -0.4(5) . . . . ?
C1 B6 B9 B10 99.6(4) . . . . ?
C1 B6 B9 B11 62.8(4) . . . . ?
C1 B6 B10 B7 37.7(3) . . . . ?
C1 B6 B10 B8 0.6(5) . . . . ?
C1 B6 B10 B9 -100.5(4) . . . . ?
C1 B6 B10 B11 -63.0(4) . . . . ?
C1 B7 B8 B3 38.3(3) . . . . ?
C1 B7 B8 B4 0.5(5) . . . . ?
C1 B7 B8 B10 -99.5(4) . . . . ?
C1 B7 B8 B11 -62.6(4) . . . . ?
C1 B7 B10 B6 -37.5(3) . . . . ?
C1 B7 B10 B8 100.5(4) . . . . ?
C1 B7 B10 B9 -0.7(5) . . . . ?
C1 B7 B10 B11 62.7(4) . . . . ?
C2 C1 B1 N1 79.7(6) . . . . ?
C2 C1 B1 N4 -105.7(5) . . . . ?
C2 C1 B2 B5 37.2(3) . . . . ?
C2 C1 B2 B6 137.9(3) . . . . ?
C2 C1 B2 B9 99.8(4) . . . . ?
C2 C1 B3 B4 -37.4(3) . . . . ?
C2 C1 B3 B7 -137.6(3) . . . . ?
C2 C1 B3 B8 -99.3(3) . . . . ?
C2 C1 B6 B2 -37.9(3) . . . . ?
C2 C1 B6 B7 102.5(3) . . . . ?
C2 C1 B6 B9 0.5(4) . . . . ?
C2 C1 B6 B10 64.2(4) . . . . ?
C2 C1 B7 B3 38.4(3) . . . . ?
C2 C1 B7 B6 -102.3(4) . . . . ?
C2 C1 B7 B8 -0.5(4) . . . . ?
C2 C1 B7 B10 -64.1(4) . . . . ?
C2 B2 B5 B4 34.8(3) . . . . ?
C2 B2 B5 B9 136.3(4) . . . . ?
C2 B2 B5 B11 98.0(4) . . . . ?
C2 B2 B6 C1 37.1(3) . . . . ?
C2 B2 B6 B7 2.2(4) . . . . ?
C2 B2 B6 B9 -99.6(4) . . . . ?
C2 B2 B6 B10 -61.4(4) . . . . ?
C2 B2 B9 B5 -38.2(3) . . . . ?
C2 B2 B9 B6 99.8(4) . . . . ?
C2 B2 B9 B10 62.1(4) . . . . ?
C2 B2 B9 B11 -0.2(5) . . . . ?
C2 B3 B4 B5 -34.3(3) . . . . ?
C2 B3 B4 B8 -136.5(4) . . . . ?
C2 B3 B4 B11 -97.9(4) . . . . ?
C2 B3 B7 C1 -37.3(3) . . . . ?
C2 B3 B7 B6 -2.8(4) . . . . ?
C2 B3 B7 B8 99.0(3) . . . . ?
C2 B3 B7 B10 60.9(4) . . . . ?
C2 B3 B8 B4 37.8(3) . . . . ?
C2 B3 B8 B7 -99.9(4) . . . . ?
C2 B3 B8 B10 -62.2(4) . . . . ?
C2 B3 B8 B11 -0.1(4) . . . . ?
C2 B4 B5 B2 -34.6(3) . . . . ?
C2 B4 B5 B9 -97.8(4) . . . . ?
C2 B4 B5 B11 -135.7(4) . . . . ?
C2 B4 B8 B3 -38.0(3) . . . . ?
C2 B4 B8 B7 -0.3(4) . . . . ?
C2 B4 B8 B10 63.0(4) . . . . ?
C2 B4 B8 B11 99.5(4) . . . . ?
C2 B4 B11 B5 38.6(3) . . . . ?
C2 B4 B11 B8 -100.3(4) . . . . ?
C2 B4 B11 B9 1.3(5) . . . . ?
C2 B4 B11 B10 -62.8(4) . . . . ?
C2 B5 B9 B2 37.8(3) . . . . ?
C2 B5 B9 B6 0.2(5) . . . . ?
C2 B5 B9 B10 -63.3(4) . . . . ?
C2 B5 B9 B11 -99.6(4) . . . . ?
C2 B5 B11 B4 -38.4(3) . . . . ?
C2 B5 B11 B8 -2.0(5) . . . . ?
C2 B5 B11 B9 99.5(4) . . . . ?
C2 B5 B11 B10 62.2(4) . . . . ?
C6 Si2 N1 N2 117.6(3) . . . . ?
C6 Si2 N1 B1 -69.9(5) . . . . ?
C7 Si2 N1 N2 -118.2(3) . . . . ?
C7 Si2 N1 B1 54.4(5) . . . . ?
C8 Si2 N1 N2 1.5(3) . . . . ?
C8 Si2 N1 B1 174.0(5) . . . . ?
C9 N4 B1 N1 168.1(4) . . . . ?
C9 N4 B1 C1 -7.7(7) . . . . ?
C9 C10 C11 C12 -0.6(6) . . . . ?
C9 C10 C18 C19 -97.5(5) . . . . ?
C9 C10 C18 C20 139.3(4) . . . . ?
C9 C14 C15 C16 83.0(5) . . . . ?
C9 C14 C15 C17 -152.8(4) . . . . ?
C10 C9 C14 C13 3.9(6) . . . . ?
C10 C9 C14 C15 -173.3(4) . . . . ?
C10 C11 C12 C13 2.5(7) . . . . ?
C11 C10 C18 C19 82.1(5) . . . . ?
C11 C10 C18 C20 -41.1(6) . . . . ?
C11 C12 C13 C14 -1.2(7) . . . . ?
C12 C13 C14 C9 -1.9(6) . . . . ?
C12 C13 C14 C15 175.3(4) . . . . ?
C13 C14 C15 C16 -94.1(5) . . . . ?
C13 C14 C15 C17 30.1(6) . . . . ?
C14 C9 C10 C11 -2.7(6) . . . . ?
C14 C9 C10 C18 176.9(4) . . . . ?
C18 C10 C11 C12 179.7(4) . . . . ?
B1 N1 N2 N3 -0.4(4) . . . . ?
B1 N4 C9 C10 -86.4(6) . . . . ?
B1 N4 C9 C14 94.0(6) . . . . ?
B1 C1 C2 Si1 0.5(5) . . . . ?
B1 C1 C2 B2 -107.7(4) . . . . ?
B1 C1 C2 B3 107.3(4) . . . . ?
B1 C1 C2 B4 146.9(4) . . . . ?
B1 C1 C2 B5 -147.0(4) . . . . ?
B1 C1 B2 C2 115.7(4) . . . . ?
B1 C1 B2 B5 152.9(4) . . . . ?
B1 C1 B2 B6 -106.4(4) . . . . ?
B1 C1 B2 B9 -144.5(4) . . . . ?
B1 C1 B3 C2 -115.9(4) . . . . ?
B1 C1 B3 B4 -153.3(3) . . . . ?
B1 C1 B3 B7 106.5(4) . . . . ?
B1 C1 B3 B8 144.8(4) . . . . ?
B1 C1 B6 B2 111.7(4) . . . . ?
B1 C1 B6 B7 -107.9(4) . . . . ?
B1 C1 B6 B9 150.2(4) . . . . ?
B1 C1 B6 B10 -146.1(4) . . . . ?
B1 C1 B7 B3 -111.4(4) . . . . ?
B1 C1 B7 B6 108.0(4) . . . . ?
B1 C1 B7 B8 -150.2(4) . . . . ?
B1 C1 B7 B10 146.2(4) . . . . ?
B2 C1 C2 Si1 108.2(4) . . . . ?
B2 C1 C2 B3 -145.0(3) . . . . ?
B2 C1 C2 B4 -105.4(4) . . . . ?
B2 C1 C2 B5 -39.3(3) . . . . ?
B2 C1 B1 N1 7.1(6) . . . . ?
B2 C1 B1 N4 -178.3(4) . . . . ?
B2 C1 B3 C2 32.2(3) . . . . ?
B2 C1 B3 B4 -5.2(4) . . . . ?
B2 C1 B3 B7 -105.4(4) . . . . ?
B2 C1 B3 B8 -67.2(4) . . . . ?
B2 C1 B6 B7 140.4(3) . . . . ?
B2 C1 B6 B9 38.4(3) . . . . ?
B2 C1 B6 B10 102.1(4) . . . . ?
B2 C1 B7 B3 103.0(4) . . . . ?
B2 C1 B7 B6 -37.7(3) . . . . ?
B2 C1 B7 B8 64.1(4) . . . . ?
B2 C1 B7 B10 0.6(5) . . . . ?
B2 C2 B3 C1 -32.5(3) . . . . ?
B2 C2 B3 B4 104.6(4) . . . . ?
B2 C2 B3 B7 4.3(4) . . . . ?
B2 C2 B3 B8 66.7(4) . . . . ?
B2 C2 B4 B3 -103.9(4) . . . . ?
B2 C2 B4 B5 37.5(4) . . . . ?
B2 C2 B4 B8 -65.2(4) . . . . ?
B2 C2 B4 B11 -1.5(4) . . . . ?
B2 C2 B5 B4 -140.5(4) . . . . ?
B2 C2 B5 B9 -38.4(3) . . . . ?
B2 C2 B5 B11 -101.6(4) . . . . ?
B2 B5 B9 B6 -37.7(3) . . . . ?
B2 B5 B9 B10 -101.1(4) . . . . ?
B2 B5 B9 B11 -137.4(4) . . . . ?
B2 B5 B11 B4 -100.0(4) . . . . ?
B2 B5 B11 B8 -63.6(5) . . . . ?
B2 B5 B11 B9 38.0(3) . . . . ?
B2 B5 B11 B10 0.6(5) . . . . ?
B2 B6 B7 C1 35.2(3) . . . . ?
B2 B6 B7 B3 0.4(4) . . . . ?
B2 B6 B7 B8 -63.6(4) . . . . ?
B2 B6 B7 B10 -101.5(4) . . . . ?
B2 B6 B9 B5 37.8(3) . . . . ?
B2 B6 B9 B10 137.8(4) . . . . ?
B2 B6 B9 B11 101.0(4) . . . . ?
B2 B6 B10 B7 100.3(4) . . . . ?
B2 B6 B10 B8 63.3(4) . . . . ?
B2 B6 B10 B9 -37.8(4) . . . . ?
B2 B6 B10 B11 -0.4(5) . . . . ?
B2 B9 B10 B6 37.7(3) . . . . ?
B2 B9 B10 B7 0.6(5) . . . . ?
B2 B9 B10 B8 -61.9(4) . . . . ?
B2 B9 B10 B11 -100.4(4) . . . . ?
B2 B9 B11 B4 -0.7(5) . . . . ?
B2 B9 B11 B5 -38.2(3) . . . . ?
B2 B9 B11 B8 62.0(5) . . . . ?
B2 B9 B11 B10 100.7(4) . . . . ?
B3 C1 C2 Si1 -106.8(4) . . . . ?
B3 C1 C2 B2 145.0(3) . . . . ?
B3 C1 C2 B4 39.6(3) . . . . ?
B3 C1 C2 B5 105.7(4) . . . . ?
B3 C1 B1 N1 152.4(4) . . . . ?
B3 C1 B1 N4 -33.0(6) . . . . ?
B3 C1 B2 C2 -32.2(3) . . . . ?
B3 C1 B2 B5 5.0(5) . . . . ?
B3 C1 B2 B6 105.7(4) . . . . ?
B3 C1 B2 B9 67.5(4) . . . . ?
B3 C1 B6 B2 -102.9(4) . . . . ?
B3 C1 B6 B7 37.5(3) . . . . ?
B3 C1 B6 B9 -64.4(4) . . . . ?
B3 C1 B6 B10 -0.7(4) . . . . ?
B3 C1 B7 B6 -140.7(3) . . . . ?
B3 C1 B7 B8 -38.9(3) . . . . ?
B3 C1 B7 B10 -102.4(4) . . . . ?
B3 C2 B2 C1 32.4(3) . . . . ?
B3 C2 B2 B5 -105.2(4) . . . . ?
B3 C2 B2 B6 -4.1(4) . . . . ?
B3 C2 B2 B9 -66.7(4) . . . . ?
B3 C2 B4 B5 141.4(4) . . . . ?
B3 C2 B4 B8 38.7(3) . . . . ?
B3 C2 B4 B11 102.4(4) . . . . ?
B3 C2 B5 B2 103.7(4) . . . . ?
B3 C2 B5 B4 -36.9(3) . . . . ?
B3 C2 B5 B9 65.3(4) . . . . ?
B3 C2 B5 B11 2.1(5) . . . . ?
B3 B4 B5 C2 34.2(3) . . . . ?
B3 B4 B5 B2 -0.4(5) . . . . ?
B3 B4 B5 B9 -63.6(4) . . . . ?
B3 B4 B5 B11 -101.5(4) . . . . ?
B3 B4 B8 B7 37.7(3) . . . . ?
B3 B4 B8 B10 100.9(4) . . . . ?
B3 B4 B8 B11 137.4(4) . . . . ?
B3 B4 B11 B5 100.5(4) . . . . ?
B3 B4 B11 B8 -38.4(3) . . . . ?
B3 B4 B11 B9 63.2(4) . . . . ?
B3 B4 B11 B10 -0.9(5) . . . . ?
B3 B7 B8 B4 -37.8(3) . . . . ?
B3 B7 B8 B10 -137.8(4) . . . . ?
B3 B7 B8 B11 -100.9(4) . . . . ?
B3 B7 B10 B6 -100.0(4) . . . . ?
B3 B7 B10 B8 38.1(3) . . . . ?
B3 B7 B10 B9 -63.1(4) . . . . ?
B3 B7 B10 B11 0.3(5) . . . . ?
B3 B8 B10 B6 -0.3(5) . . . . ?
B3 B8 B10 B7 -37.5(3) . . . . ?
B3 B8 B10 B9 62.0(4) . . . . ?
B3 B8 B10 B11 100.4(4) . . . . ?
B3 B8 B11 B4 38.0(3) . . . . ?
B3 B8 B11 B5 1.3(5) . . . . ?
B3 B8 B11 B9 -61.6(5) . . . . ?
B3 B8 B11 B10 -100.4(4) . . . . ?
B4 C2 B2 C1 100.3(3) . . . . ?
B4 C2 B2 B5 -37.4(3) . . . . ?
B4 C2 B2 B6 63.7(4) . . . . ?
B4 C2 B2 B9 1.1(4) . . . . ?
B4 C2 B3 C1 -137.2(3) . . . . ?
B4 C2 B3 B7 -100.3(4) . . . . ?
B4 C2 B3 B8 -38.0(3) . . . . ?
B4 C2 B5 B2 140.5(4) . . . . ?
B4 C2 B5 B9 102.1(4) . . . . ?
B4 C2 B5 B11 38.9(3) . . . . ?
B4 B3 B7 C1 -99.1(3) . . . . ?
B4 B3 B7 B6 -64.5(4) . . . . ?
B4 B3 B7 B8 37.2(3) . . . . ?
B4 B3 B7 B10 -0.9(4) . . . . ?
B4 B3 B8 B7 -137.7(4) . . . . ?
B4 B3 B8 B10 -100.1(4) . . . . ?
B4 B3 B8 B11 -37.9(3) . . . . ?
B4 B5 B9 B2 99.7(4) . . . . ?
B4 B5 B9 B6 62.1(4) . . . . ?
B4 B5 B9 B10 -1.4(4) . . . . ?
B4 B5 B9 B11 -37.7(3) . . . . ?
B4 B5 B11 B8 36.4(3) . . . . ?
B4 B5 B11 B9 137.9(4) . . . . ?
B4 B5 B11 B10 100.6(4) . . . . ?
B4 B8 B10 B6 -63.8(4) . . . . ?
B4 B8 B10 B7 -101.0(4) . . . . ?
B4 B8 B10 B9 -1.4(4) . . . . ?
B4 B8 B10 B11 36.9(3) . . . . ?
B4 B8 B11 B5 -36.7(3) . . . . ?
B4 B8 B11 B9 -99.7(4) . . . . ?
B4 B8 B11 B10 -138.4(4) . . . . ?
B5 C2 B2 C1 137.6(3) . . . . ?
B5 C2 B2 B6 101.1(4) . . . . ?
B5 C2 B2 B9 38.4(3) . . . . ?
B5 C2 B3 C1 -100.4(4) . . . . ?
B5 C2 B3 B4 36.7(3) . . . . ?
B5 C2 B3 B7 -63.6(4) . . . . ?
B5 C2 B3 B8 -1.3(4) . . . . ?
B5 C2 B4 B3 -141.4(4) . . . . ?
B5 C2 B4 B8 -102.6(4) . . . . ?
B5 C2 B4 B11 -39.0(3) . . . . ?
B5 B2 B6 C1 99.2(4) . . . . ?
B5 B2 B6 B7 64.3(4) . . . . ?
B5 B2 B6 B9 -37.4(3) . . . . ?
B5 B2 B6 B10 0.7(5) . . . . ?
B5 B2 B9 B6 138.0(4) . . . . ?
B5 B2 B9 B10 100.2(4) . . . . ?
B5 B2 B9 B11 38.0(3) . . . . ?
B5 B4 B8 B3 -100.4(4) . . . . ?
B5 B4 B8 B7 -62.7(4) . . . . ?
B5 B4 B8 B10 0.6(4) . . . . ?
B5 B4 B8 B11 37.0(3) . . . . ?
B5 B4 B11 B8 -138.9(4) . . . . ?
B5 B4 B11 B9 -37.3(3) . . . . ?
B5 B4 B11 B10 -101.4(4) . . . . ?
B5 B9 B10 B6 101.4(4) . . . . ?
B5 B9 B10 B7 64.3(4) . . . . ?
B5 B9 B10 B8 1.8(4) . . . . ?
B5 B9 B10 B11 -36.7(3) . . . . ?
B5 B9 B11 B4 37.4(3) . . . . ?
B5 B9 B11 B8 100.1(4) . . . . ?
B5 B9 B11 B10 138.8(4) . . . . ?
B6 C1 C2 Si1 147.1(3) . . . . ?
B6 C1 C2 B2 38.9(3) . . . . ?
B6 C1 C2 B3 -106.2(3) . . . . ?
B6 C1 C2 B4 -66.6(4) . . . . ?
B6 C1 C2 B5 -0.4(4) . . . . ?
B6 C1 B1 N1 -64.7(6) . . . . ?
B6 C1 B1 N4 110.0(5) . . . . ?
B6 C1 B2 C2 -137.9(3) . . . . ?
B6 C1 B2 B5 -100.7(4) . . . . ?
B6 C1 B2 B9 -38.1(3) . . . . ?
B6 C1 B3 C2 99.8(4) . . . . ?
B6 C1 B3 B4 62.5(4) . . . . ?
B6 C1 B3 B7 -37.7(3) . . . . ?
B6 C1 B3 B8 0.5(4) . . . . ?
B6 C1 B7 B3 140.7(3) . . . . ?
B6 C1 B7 B8 101.8(4) . . . . ?
B6 C1 B7 B10 38.3(3) . . . . ?
B6 B2 B5 C2 -98.9(4) . . . . ?
B6 B2 B5 B4 -64.1(5) . . . . ?
B6 B2 B5 B9 37.4(3) . . . . ?
B6 B2 B5 B11 -0.8(5) . . . . ?
B6 B2 B9 B5 -138.0(4) . . . . ?
B6 B2 B9 B10 -37.7(3) . . . . ?
B6 B2 B9 B11 -100.0(4) . . . . ?
B6 B7 B8 B3 100.1(4) . . . . ?
B6 B7 B8 B4 62.3(4) . . . . ?
B6 B7 B8 B10 -37.7(3) . . . . ?
B6 B7 B8 B11 -0.8(4) . . . . ?
B6 B7 B10 B8 138.0(4) . . . . ?
B6 B7 B10 B9 36.8(3) . . . . ?
B6 B7 B10 B11 100.3(4) . . . . ?
B6 B9 B10 B7 -37.1(3) . . . . ?
B6 B9 B10 B8 -99.6(4) . . . . ?
B6 B9 B10 B11 -138.1(4) . . . . ?
B6 B9 B11 B4 -64.0(5) . . . . ?
B6 B9 B11 B5 -101.5(4) . . . . ?
B6 B9 B11 B8 -1.3(5) . . . . ?
B6 B9 B11 B10 37.3(4) . . . . ?
B6 B10 B11 B4 63.3(4) . . . . ?
B6 B10 B11 B5 -0.2(5) . . . . ?
B6 B10 B11 B8 100.2(4) . . . . ?
B6 B10 B11 B9 -37.0(3) . . . . ?
B7 C1 C2 Si1 -146.0(3) . . . . ?
B7 C1 C2 B2 105.8(4) . . . . ?
B7 C1 C2 B3 -39.3(3) . . . . ?
B7 C1 C2 B4 0.4(4) . . . . ?
B7 C1 C2 B5 66.5(4) . . . . ?
B7 C1 B1 N1 -135.9(4) . . . . ?
B7 C1 B1 N4 38.7(6) . . . . ?
B7 C1 B2 C2 -100.0(3) . . . . ?
B7 C1 B2 B5 -62.8(4) . . . . ?
B7 C1 B2 B6 37.9(3) . . . . ?
B7 C1 B2 B9 -0.2(5) . . . . ?
B7 C1 B3 C2 137.6(3) . . . . ?
B7 C1 B3 B4 100.2(4) . . . . ?
B7 C1 B3 B8 38.3(3) . . . . ?
B7 C1 B6 B2 -140.4(3) . . . . ?
B7 C1 B6 B9 -102.0(4) . . . . ?
B7 C1 B6 B10 -38.3(3) . . . . ?
B7 B3 B4 C2 99.0(3) . . . . ?
B7 B3 B4 B5 64.7(4) . . . . ?
B7 B3 B4 B8 -37.4(3) . . . . ?
B7 B3 B4 B11 1.1(4) . . . . ?
B7 B3 B8 B4 137.7(4) . . . . ?
B7 B3 B8 B10 37.6(3) . . . . ?
B7 B3 B8 B11 99.8(4) . . . . ?
B7 B6 B9 B2 -100.2(4) . . . . ?
B7 B6 B9 B5 -62.4(4) . . . . ?
B7 B6 B9 B10 37.6(3) . . . . ?
B7 B6 B9 B11 0.8(5) . . . . ?
B7 B6 B10 B8 -37.0(3) . . . . ?
B7 B6 B10 B9 -138.1(4) . . . . ?
B7 B6 B10 B11 -100.7(4) . . . . ?
B7 B8 B10 B6 37.2(3) . . . . ?
B7 B8 B10 B9 99.5(4) . . . . ?
B7 B8 B10 B11 137.9(4) . . . . ?
B7 B8 B11 B4 101.0(4) . . . . ?
B7 B8 B11 B5 64.3(4) . . . . ?
B7 B8 B11 B9 1.3(5) . . . . ?
B7 B8 B11 B10 -37.4(3) . . . . ?
B7 B10 B11 B4 0.4(5) . . . . ?
B7 B10 B11 B5 -63.1(4) . . . . ?
B7 B10 B11 B8 37.2(3) . . . . ?
B7 B10 B11 B9 -99.9(4) . . . . ?
B8 B3 B4 C2 136.5(4) . . . . ?
B8 B3 B4 B5 102.1(4) . . . . ?
B8 B3 B4 B11 38.6(3) . . . . ?
B8 B3 B7 C1 -136.3(4) . . . . ?
B8 B3 B7 B6 -101.8(4) . . . . ?
B8 B3 B7 B10 -38.1(3) . . . . ?
B8 B4 B5 C2 98.4(4) . . . . ?
B8 B4 B5 B2 63.7(4) . . . . ?
B8 B4 B5 B9 0.5(5) . . . . ?
B8 B4 B5 B11 -37.4(3) . . . . ?
B8 B4 B11 B5 138.9(4) . . . . ?
B8 B4 B11 B9 101.6(4) . . . . ?
B8 B4 B11 B10 37.5(3) . . . . ?
B8 B7 B10 B6 -138.0(4) . . . . ?
B8 B7 B10 B9 -101.2(4) . . . . ?
B8 B7 B10 B11 -37.7(3) . . . . ?
B8 B10 B11 B4 -36.9(3) . . . . ?
B8 B10 B11 B5 -100.4(4) . . . . ?
B8 B10 B11 B9 -137.2(4) . . . . ?
B9 B2 B5 C2 -136.3(4) . . . . ?
B9 B2 B5 B4 -101.5(4) . . . . ?
B9 B2 B5 B11 -38.3(3) . . . . ?
B9 B2 B6 C1 136.6(4) . . . . ?
B9 B2 B6 B7 101.7(4) . . . . ?
B9 B2 B6 B10 38.1(3) . . . . ?
B9 B5 B11 B4 -137.9(4) . . . . ?
B9 B5 B11 B8 -101.5(4) . . . . ?
B9 B5 B11 B10 -37.3(3) . . . . ?
B9 B6 B7 C1 98.8(4) . . . . ?
B9 B6 B7 B3 63.9(4) . . . . ?
B9 B6 B7 B8 0.0(5) . . . . ?
B9 B6 B7 B10 -37.9(4) . . . . ?
B9 B6 B10 B7 138.1(4) . . . . ?
B9 B6 B10 B8 101.1(4) . . . . ?
B9 B6 B10 B11 37.5(4) . . . . ?
B9 B10 B11 B4 100.3(4) . . . . ?
B9 B10 B11 B5 36.8(3) . . . . ?
B9 B10 B11 B8 137.2(4) . . . . ?
B10 B6 B7 C1 136.7(4) . . . . ?
B10 B6 B7 B3 101.9(4) . . . . ?
B10 B6 B7 B8 37.9(3) . . . . ?
B10 B6 B9 B2 -137.8(4) . . . . ?
B10 B6 B9 B5 -100.0(4) . . . . ?
B10 B6 B9 B11 -36.8(4) . . . . ?
B10 B7 B8 B3 137.8(4) . . . . ?
B10 B7 B8 B4 100.0(4) . . . . ?
B10 B7 B8 B11 36.9(3) . . . . ?
B10 B8 B11 B4 138.4(4) . . . . ?
B10 B8 B11 B5 101.7(4) . . . . ?
B10 B8 B11 B9 38.7(4) . . . . ?
B10 B9 B11 B4 -101.4(4) . . . . ?
B10 B9 B11 B5 -138.8(4) . . . . ?
B10 B9 B11 B8 -38.7(3) . . . . ?
B11 B4 B5 C2 135.7(4) . . . . ?
B11 B4 B5 B2 101.1(4) . . . . ?
B11 B4 B5 B9 37.9(3) . . . . ?
B11 B4 B8 B3 -137.4(4) . . . . ?
B11 B4 B8 B7 -99.7(4) . . . . ?
B11 B4 B8 B10 -36.5(3) . . . . ?
B11 B5 B9 B2 137.4(4) . . . . ?
B11 B5 B9 B6 99.7(4) . . . . ?
B11 B5 B9 B10 36.3(3) . . . . ?
B11 B8 B10 B6 -100.7(4) . . . . ?
B11 B8 B10 B7 -137.9(4) . . . . ?
B11 B8 B10 B9 -38.4(3) . . . . ?
B11 B9 B10 B6 138.1(4) . . . . ?
B11 B9 B10 B7 101.0(4) . . . . ?
B11 B9 B10 B8 38.4(3) . . . . ?
Si3 C22 B13 C21 115.4(3) . . . . ?
Si3 C22 B13 B16 152.1(3) . . . . ?
Si3 C22 B13 B17 -106.9(3) . . . . ?
Si3 C22 B13 B20 -145.5(3) . . . . ?
Si3 C22 B14 C21 -115.3(3) . . . . ?
Si3 C22 B14 B15 -152.4(3) . . . . ?
Si3 C22 B14 B18 107.4(3) . . . . ?
Si3 C22 B14 B19 145.8(3) . . . . ?
Si3 C22 B17 B13 111.3(3) . . . . ?
Si3 C22 B17 B18 -108.3(3) . . . . ?
Si3 C22 B17 B20 150.2(3) . . . . ?
Si3 C22 B17 B22 -146.8(3) . . . . ?
Si3 C22 B18 B14 -111.2(4) . . . . ?
Si3 C22 B18 B17 108.1(3) . . . . ?
Si3 C22 B18 B19 -150.1(3) . . . . ?
Si3 C22 B18 B22 146.8(3) . . . . ?
Si4 N5 N6 N7 -174.0(3) . . . . ?
Si4 N5 B12 N8 170.9(4) . . . . ?
Si4 N5 B12 C21 -5.4(8) . . . . ?
N5 N6 N7 N8 -0.1(5) . . . . ?
N6 N5 B12 N8 -1.9(4) . . . . ?
N6 N5 B12 C21 -178.1(4) . . . . ?
N6 N7 N8 C29 168.4(4) . . . . ?
N6 N7 N8 B12 -1.2(5) . . . . ?
N7 N8 C29 C30 97.7(5) . . . . ?
N7 N8 C29 C34 -81.2(5) . . . . ?
N7 N8 B12 N5 1.9(5) . . . . ?
N7 N8 B12 C21 178.4(4) . . . . ?
N8 C29 C30 C31 175.8(4) . . . . ?
N8 C29 C30 C38 -7.5(6) . . . . ?
N8 C29 C34 C33 -177.4(4) . . . . ?
N8 C29 C34 C35 4.9(6) . . . . ?
C21 C22 B13 B16 36.7(3) . . . . ?
C21 C22 B13 B17 137.8(3) . . . . ?
C21 C22 B13 B20 99.2(4) . . . . ?
C21 C22 B14 B15 -37.1(3) . . . . ?
C21 C22 B14 B18 -137.2(4) . . . . ?
C21 C22 B14 B19 -98.9(4) . . . . ?
C21 C22 B17 B13 -38.2(3) . . . . ?
C21 C22 B17 B18 102.1(3) . . . . ?
C21 C22 B17 B20 0.6(4) . . . . ?
C21 C22 B17 B22 63.7(4) . . . . ?
C21 C22 B18 B14 38.5(3) . . . . ?
C21 C22 B18 B17 -102.2(4) . . . . ?
C21 C22 B18 B19 -0.4(4) . . . . ?
C21 C22 B18 B22 -63.5(4) . . . . ?
C21 B13 B16 B15 34.8(3) . . . . ?
C21 B13 B16 B20 136.4(4) . . . . ?
C21 B13 B16 B21 98.2(4) . . . . ?
C21 B13 B17 C22 37.2(3) . . . . ?
C21 B13 B17 B18 2.1(5) . . . . ?
C21 B13 B17 B20 -99.2(4) . . . . ?
C21 B13 B17 B22 -61.1(4) . . . . ?
C21 B13 B20 B16 -37.9(3) . . . . ?
C21 B13 B20 B17 100.2(4) . . . . ?
C21 B13 B20 B21 1.0(5) . . . . ?
C21 B13 B20 B22 62.5(4) . . . . ?
C21 B14 B15 B16 -34.7(3) . . . . ?
C21 B14 B15 B19 -136.0(4) . . . . ?
C21 B14 B15 B21 -97.8(4) . . . . ?
C21 B14 B18 C22 -37.8(3) . . . . ?
C21 B14 B18 B17 -3.2(4) . . . . ?
C21 B14 B18 B19 98.3(4) . . . . ?
C21 B14 B18 B22 60.6(4) . . . . ?
C21 B14 B19 B15 38.0(3) . . . . ?
C21 B14 B19 B18 -100.4(4) . . . . ?
C21 B14 B19 B21 -1.0(4) . . . . ?
C21 B14 B19 B22 -62.9(4) . . . . ?
C21 B15 B16 B13 -34.8(3) . . . . ?
C21 B15 B16 B20 -98.1(4) . . . . ?
C21 B15 B16 B21 -134.5(4) . . . . ?
C21 B15 B19 B14 -38.1(3) . . . . ?
C21 B15 B19 B18 -0.7(5) . . . . ?
C21 B15 B19 B21 98.7(4) . . . . ?
C21 B15 B19 B22 62.9(4) . . . . ?
C21 B15 B21 B16 39.6(3) . . . . ?
C21 B15 B21 B19 -99.9(4) . . . . ?
C21 B15 B21 B20 2.7(5) . . . . ?
C21 B15 B21 B22 -62.7(4) . . . . ?
C21 B16 B20 B13 37.9(3) . . . . ?
C21 B16 B20 B17 0.8(5) . . . . ?
C21 B16 B20 B21 -98.5(4) . . . . ?
C21 B16 B20 B22 -62.4(4) . . . . ?
C21 B16 B21 B15 -39.2(3) . . . . ?
C21 B16 B21 B19 -3.1(5) . . . . ?
C21 B16 B21 B20 99.9(4) . . . . ?
C21 B16 B21 B22 61.8(4) . . . . ?
C22 C21 B12 N5 -80.5(6) . . . . ?
C22 C21 B12 N8 104.0(5) . . . . ?
C22 C21 B13 B16 -138.0(4) . . . . ?
C22 C21 B13 B17 -36.8(3) . . . . ?
C22 C21 B13 B20 -99.8(4) . . . . ?
C22 C21 B14 B15 137.5(4) . . . . ?
C22 C21 B14 B18 37.2(3) . . . . ?
C22 C21 B14 B19 99.3(4) . . . . ?
C22 C21 B15 B14 -38.5(3) . . . . ?
C22 C21 B15 B16 102.5(4) . . . . ?
C22 C21 B15 B19 0.4(5) . . . . ?
C22 C21 B15 B21 62.7(4) . . . . ?
C22 C21 B16 B13 38.0(3) . . . . ?
C22 C21 B16 B15 -102.3(3) . . . . ?
C22 C21 B16 B20 -0.4(4) . . . . ?
C22 C21 B16 B21 -62.3(4) . . . . ?
C22 B13 B16 C21 -37.0(3) . . . . ?
C22 B13 B16 B15 -2.2(5) . . . . ?
C22 B13 B16 B20 99.4(4) . . . . ?
C22 B13 B16 B21 61.2(4) . . . . ?
C22 B13 B17 B18 -35.0(3) . . . . ?
C22 B13 B17 B20 -136.3(4) . . . . ?
C22 B13 B17 B22 -98.3(4) . . . . ?
C22 B13 B20 B16 -100.2(4) . . . . ?
C22 B13 B20 B17 38.0(3) . . . . ?
C22 B13 B20 B21 -61.3(4) . . . . ?
C22 B13 B20 B22 0.3(4) . . . . ?
C22 B14 B15 C21 37.6(3) . . . . ?
C22 B14 B15 B16 2.9(4) . . . . ?
C22 B14 B15 B19 -98.4(4) . . . . ?
C22 B14 B15 B21 -60.2(4) . . . . ?
C22 B14 B18 B17 34.6(3) . . . . ?
C22 B14 B18 B19 136.1(4) . . . . ?
C22 B14 B18 B22 98.4(4) . . . . ?
C22 B14 B19 B15 100.4(4) . . . . ?
C22 B14 B19 B18 -38.0(3) . . . . ?
C22 B14 B19 B21 61.4(4) . . . . ?
C22 B14 B19 B22 -0.5(5) . . . . ?
C22 B17 B18 B14 -34.6(3) . . . . ?
C22 B17 B18 B19 -98.4(4) . . . . ?
C22 B17 B18 B22 -136.3(4) . . . . ?
C22 B17 B20 B13 -38.5(3) . . . . ?
C22 B17 B20 B16 -0.9(5) . . . . ?
C22 B17 B20 B21 62.5(4) . . . . ?
C22 B17 B20 B22 99.1(4) . . . . ?
C22 B17 B22 B18 38.0(3) . . . . ?
C22 B17 B22 B19 0.7(5) . . . . ?
C22 B17 B22 B20 -100.7(4) . . . . ?
C22 B17 B22 B21 -63.1(4) . . . . ?
C22 B18 B19 B14 38.3(3) . . . . ?
C22 B18 B19 B15 0.7(5) . . . . ?
C22 B18 B19 B21 -63.5(4) . . . . ?
C22 B18 B19 B22 -99.8(4) . . . . ?
C22 B18 B22 B17 -38.1(3) . . . . ?
C22 B18 B22 B19 99.8(4) . . . . ?
C22 B18 B22 B20 -1.2(4) . . . . ?
C22 B18 B22 B21 62.3(4) . . . . ?
C26 Si4 N5 N6 -109.7(3) . . . . ?
C26 Si4 N5 B12 77.7(5) . . . . ?
C27 Si4 N5 N6 8.0(4) . . . . ?
C27 Si4 N5 B12 -164.6(5) . . . . ?
C28 Si4 N5 N6 125.9(3) . . . . ?
C28 Si4 N5 B12 -46.7(6) . . . . ?
C29 N8 B12 N5 -164.5(4) . . . . ?
C29 N8 B12 C21 12.0(8) . . . . ?
C29 C30 C31 C32 2.3(7) . . . . ?
C29 C30 C38 C39 -84.4(6) . . . . ?
C29 C30 C38 C40 148.5(5) . . . . ?
C29 C34 C35 C36 103.1(5) . . . . ?
C29 C34 C35 C37 -133.6(4) . . . . ?
C30 C29 C34 C33 3.7(6) . . . . ?
C30 C29 C34 C35 -174.0(4) . . . . ?
C30 C31 C32 C33 2.1(7) . . . . ?
C31 C30 C38 C39 92.3(5) . . . . ?
C31 C30 C38 C40 -34.9(7) . . . . ?
C31 C32 C33 C34 -3.8(7) . . . . ?
C32 C33 C34 C29 0.9(7) . . . . ?
C32 C33 C34 C35 178.7(4) . . . . ?
C33 C34 C35 C36 -74.5(5) . . . . ?
C33 C34 C35 C37 48.7(6) . . . . ?
C34 C29 C30 C31 -5.3(6) . . . . ?
C34 C29 C30 C38 171.4(4) . . . . ?
C38 C30 C31 C32 -174.5(4) . . . . ?
B12 N5 N6 N7 1.3(5) . . . . ?
B12 N8 C29 C30 -96.4(6) . . . . ?
B12 N8 C29 C34 84.7(6) . . . . ?
B12 C21 C22 Si3 0.1(6) . . . . ?
B12 C21 C22 B13 108.0(5) . . . . ?
B12 C21 C22 B14 -107.3(5) . . . . ?
B12 C21 C22 B17 146.8(4) . . . . ?
B12 C21 C22 B18 -146.9(4) . . . . ?
B12 C21 B13 C22 -114.4(4) . . . . ?
B12 C21 B13 B16 107.5(4) . . . . ?
B12 C21 B13 B17 -151.3(4) . . . . ?
B12 C21 B13 B20 145.8(4) . . . . ?
B12 C21 B14 C22 114.6(4) . . . . ?
B12 C21 B14 B15 -107.9(4) . . . . ?
B12 C21 B14 B18 151.9(4) . . . . ?
B12 C21 B14 B19 -146.1(4) . . . . ?
B12 C21 B15 B14 110.8(4) . . . . ?
B12 C21 B15 B16 -108.3(4) . . . . ?
B12 C21 B15 B19 149.6(4) . . . . ?
B12 C21 B15 B21 -148.1(4) . . . . ?
B12 C21 B16 B13 -111.3(4) . . . . ?
B12 C21 B16 B15 108.3(4) . . . . ?
B12 C21 B16 B20 -149.8(4) . . . . ?
B12 C21 B16 B21 148.3(4) . . . . ?
B13 C21 C22 Si3 -107.9(4) . . . . ?
B13 C21 C22 B14 144.7(4) . . . . ?
B13 C21 C22 B17 38.8(3) . . . . ?
B13 C21 C22 B18 105.1(4) . . . . ?
B13 C21 B12 N5 -8.1(7) . . . . ?
B13 C21 B12 N8 176.4(4) . . . . ?
B13 C21 B14 C22 -32.5(3) . . . . ?
B13 C21 B14 B15 104.9(4) . . . . ?
B13 C21 B14 B18 4.7(4) . . . . ?
B13 C21 B14 B19 66.8(4) . . . . ?
B13 C21 B15 B14 -103.3(4) . . . . ?
B13 C21 B15 B16 37.6(3) . . . . ?
B13 C21 B15 B19 -64.4(4) . . . . ?
B13 C21 B15 B21 -2.2(5) . . . . ?
B13 C21 B16 B15 -140.4(4) . . . . ?
B13 C21 B16 B20 -38.5(3) . . . . ?
B13 C21 B16 B21 -100.4(4) . . . . ?
B13 C22 B14 C21 32.6(3) . . . . ?
B13 C22 B14 B15 -4.5(5) . . . . ?
B13 C22 B14 B18 -104.6(4) . . . . ?
B13 C22 B14 B19 -66.3(4) . . . . ?
B13 C22 B17 B18 140.4(4) . . . . ?
B13 C22 B17 B20 38.9(3) . . . . ?
B13 C22 B17 B22 101.9(4) . . . . ?
B13 C22 B18 B14 103.4(4) . . . . ?
B13 C22 B18 B17 -37.3(3) . . . . ?
B13 C22 B18 B19 64.5(4) . . . . ?
B13 C22 B18 B22 1.4(4) . . . . ?
B13 B16 B20 B17 -37.1(3) . . . . ?
B13 B16 B20 B21 -136.4(4) . . . . ?
B13 B16 B20 B22 -100.3(4) . . . . ?
B13 B16 B21 B15 -100.6(4) . . . . ?
B13 B16 B21 B19 -64.6(4) . . . . ?
B13 B16 B21 B20 38.5(3) . . . . ?
B13 B16 B21 B22 0.4(5) . . . . ?
B13 B17 B18 C22 35.3(3) . . . . ?
B13 B17 B18 B14 0.6(5) . . . . ?
B13 B17 B18 B19 -63.1(4) . . . . ?
B13 B17 B18 B22 -101.0(4) . . . . ?
B13 B17 B20 B16 37.6(3) . . . . ?
B13 B17 B20 B21 101.0(4) . . . . ?
B13 B17 B20 B22 137.6(4) . . . . ?
B13 B17 B22 B18 100.6(4) . . . . ?
B13 B17 B22 B19 63.2(5) . . . . ?
B13 B17 B22 B20 -38.1(3) . . . . ?
B13 B17 B22 B21 -0.6(5) . . . . ?
B13 B20 B21 B15 -2.3(5) . . . . ?
B13 B20 B21 B16 -38.9(3) . . . . ?
B13 B20 B21 B19 61.1(5) . . . . ?
B13 B20 B21 B22 99.7(4) . . . . ?
B13 B20 B22 B17 37.4(3) . . . . ?
B13 B20 B22 B18 0.6(5) . . . . ?
B13 B20 B22 B19 -62.6(4) . . . . ?
B13 B20 B22 B21 -100.5(4) . . . . ?
B14 C21 C22 Si3 107.4(4) . . . . ?
B14 C21 C22 B13 -144.7(4) . . . . ?
B14 C21 C22 B17 -105.9(4) . . . . ?
B14 C21 C22 B18 -39.6(3) . . . . ?
B14 C21 B12 N5 -152.5(4) . . . . ?
B14 C21 B12 N8 32.0(6) . . . . ?
B14 C21 B13 C22 32.5(3) . . . . ?
B14 C21 B13 B16 -105.5(4) . . . . ?
B14 C21 B13 B17 -4.3(5) . . . . ?
B14 C21 B13 B20 -67.3(4) . . . . ?
B14 C21 B15 B16 140.9(4) . . . . ?
B14 C21 B15 B19 38.9(3) . . . . ?
B14 C21 B15 B21 101.2(4) . . . . ?
B14 C21 B16 B13 103.0(4) . . . . ?
B14 C21 B16 B15 -37.4(3) . . . . ?
B14 C21 B16 B20 64.5(4) . . . . ?
B14 C21 B16 B21 2.6(5) . . . . ?
B14 C22 B13 C21 -32.5(3) . . . . ?
B14 C22 B13 B16 4.2(5) . . . . ?
B14 C22 B13 B17 105.3(4) . . . . ?
B14 C22 B13 B20 66.7(4) . . . . ?
B14 C22 B17 B13 -102.9(4) . . . . ?
B14 C22 B17 B18 37.5(3) . . . . ?
B14 C22 B17 B20 -64.1(4) . . . . ?
B14 C22 B17 B22 -1.0(5) . . . . ?
B14 C22 B18 B17 -140.8(4) . . . . ?
B14 C22 B18 B19 -38.9(3) . . . . ?
B14 C22 B18 B22 -102.0(4) . . . . ?
B14 B15 B16 C21 34.4(3) . . . . ?
B14 B15 B16 B13 -0.4(5) . . . . ?
B14 B15 B16 B20 -63.7(4) . . . . ?
B14 B15 B16 B21 -100.0(4) . . . . ?
B14 B15 B19 B18 37.5(3) . . . . ?
B14 B15 B19 B21 136.8(4) . . . . ?
B14 B15 B19 B22 101.1(4) . . . . ?
B14 B15 B21 B16 101.0(4) . . . . ?
B14 B15 B21 B19 -38.5(3) . . . . ?
B14 B15 B21 B20 64.1(4) . . . . ?
B14 B15 B21 B22 -1.3(5) . . . . ?
B14 B18 B19 B15 -37.6(4) . . . . ?
B14 B18 B19 B21 -101.8(4) . . . . ?
B14 B18 B19 B22 -138.1(4) . . . . ?
B14 B18 B22 B17 -100.1(4) . . . . ?
B14 B18 B22 B19 37.7(3) . . . . ?
B14 B18 B22 B20 -63.3(4) . . . . ?
B14 B18 B22 B21 0.2(5) . . . . ?
B14 B19 B21 B15 38.8(3) . . . . ?
B14 B19 B21 B16 2.6(5) . . . . ?
B14 B19 B21 B20 -61.6(4) . . . . ?
B14 B19 B21 B22 -100.4(4) . . . . ?
B14 B19 B22 B17 -0.1(5) . . . . ?
B14 B19 B22 B18 -37.6(3) . . . . ?
B14 B19 B22 B20 63.1(4) . . . . ?
B14 B19 B22 B21 100.8(4) . . . . ?
B15 C21 C22 Si3 147.0(3) . . . . ?
B15 C21 C22 B13 -105.1(4) . . . . ?
B15 C21 C22 B14 39.6(3) . . . . ?
B15 C21 C22 B17 -66.3(4) . . . . ?
B15 C21 C22 B18 0.0(5) . . . . ?
B15 C21 B12 N5 135.1(5) . . . . ?
B15 C21 B12 N8 -40.4(6) . . . . ?
B15 C21 B13 C22 100.6(4) . . . . ?
B15 C21 B13 B16 -37.5(3) . . . . ?
B15 C21 B13 B17 63.7(4) . . . . ?
B15 C21 B13 B20 0.8(5) . . . . ?
B15 C21 B14 C22 -137.5(4) . . . . ?
B15 C21 B14 B18 -100.2(4) . . . . ?
B15 C21 B14 B19 -38.2(3) . . . . ?
B15 C21 B16 B13 140.4(4) . . . . ?
B15 C21 B16 B20 101.9(4) . . . . ?
B15 C21 B16 B21 40.0(3) . . . . ?
B15 B14 B18 C22 -99.4(4) . . . . ?
B15 B14 B18 B17 -64.8(4) . . . . ?
B15 B14 B18 B19 36.6(3) . . . . ?
B15 B14 B18 B22 -1.0(5) . . . . ?
B15 B14 B19 B18 -138.4(4) . . . . ?
B15 B14 B19 B21 -39.0(3) . . . . ?
B15 B14 B19 B22 -100.8(4) . . . . ?
B15 B16 B20 B13 99.7(4) . . . . ?
B15 B16 B20 B17 62.5(4) . . . . ?
B15 B16 B20 B21 -36.8(3) . . . . ?
B15 B16 B20 B22 -0.7(5) . . . . ?
B15 B16 B21 B19 36.1(3) . . . . ?
B15 B16 B21 B20 139.1(4) . . . . ?
B15 B16 B21 B22 101.0(4) . . . . ?
B15 B19 B21 B16 -36.2(3) . . . . ?
B15 B19 B21 B20 -100.4(4) . . . . ?
B15 B19 B21 B22 -139.3(4) . . . . ?
B15 B19 B22 B17 -64.1(5) . . . . ?
B15 B19 B22 B18 -101.5(4) . . . . ?
B15 B19 B22 B20 -0.9(5) . . . . ?
B15 B19 B22 B21 36.8(3) . . . . ?
B15 B21 B22 B17 63.9(4) . . . . ?
B15 B21 B22 B18 0.7(5) . . . . ?
B15 B21 B22 B19 -36.5(3) . . . . ?
B15 B21 B22 B20 101.4(4) . . . . ?
B16 C21 C22 Si3 -146.8(3) . . . . ?
B16 C21 C22 B13 -38.9(3) . . . . ?
B16 C21 C22 B14 105.8(4) . . . . ?
B16 C21 C22 B17 -0.1(4) . . . . ?
B16 C21 C22 B18 66.2(4) . . . . ?
B16 C21 B12 N5 64.1(6) . . . . ?
B16 C21 B12 N8 -111.4(5) . . . . ?
B16 C21 B13 C22 138.0(4) . . . . ?
B16 C21 B13 B17 101.2(4) . . . . ?
B16 C21 B13 B20 38.2(3) . . . . ?
B16 C21 B14 C22 -100.3(4) . . . . ?
B16 C21 B14 B15 37.1(3) . . . . ?
B16 C21 B14 B18 -63.1(4) . . . . ?
B16 C21 B14 B19 -1.0(4) . . . . ?
B16 C21 B15 B14 -140.9(4) . . . . ?
B16 C21 B15 B19 -102.1(4) . . . . ?
B16 C21 B15 B21 -39.8(3) . . . . ?
B16 B13 B17 C22 99.1(4) . . . . ?
B16 B13 B17 B18 64.1(4) . . . . ?
B16 B13 B17 B20 -37.2(3) . . . . ?
B16 B13 B17 B22 0.8(5) . . . . ?
B16 B13 B20 B17 138.1(4) . . . . ?
B16 B13 B20 B21 38.9(3) . . . . ?
B16 B13 B20 B22 100.4(4) . . . . ?
B16 B15 B19 B14 -100.6(4) . . . . ?
B16 B15 B19 B18 -63.1(4) . . . . ?
B16 B15 B19 B21 36.3(3) . . . . ?
B16 B15 B19 B22 0.5(5) . . . . ?
B16 B15 B21 B19 -139.5(4) . . . . ?
B16 B15 B21 B20 -36.9(3) . . . . ?
B16 B15 B21 B22 -102.3(4) . . . . ?
B16 B20 B21 B15 36.6(3) . . . . ?
B16 B20 B21 B19 100.0(4) . . . . ?
B16 B20 B21 B22 138.6(4) . . . . ?
B16 B20 B22 B17 101.0(4) . . . . ?
B16 B20 B22 B18 64.1(4) . . . . ?
B16 B20 B22 B19 1.0(5) . . . . ?
B16 B20 B22 B21 -36.9(3) . . . . ?
B16 B21 B22 B17 0.1(5) . . . . ?
B16 B21 B22 B18 -63.1(5) . . . . ?
B16 B21 B22 B19 -100.3(4) . . . . ?
B16 B21 B22 B20 37.6(4) . . . . ?
B17 C22 B13 C21 -137.8(3) . . . . ?
B17 C22 B13 B16 -101.0(4) . . . . ?
B17 C22 B13 B20 -38.6(3) . . . . ?
B17 C22 B14 C21 99.8(4) . . . . ?
B17 C22 B14 B15 62.7(4) . . . . ?
B17 C22 B14 B18 -37.4(4) . . . . ?
B17 C22 B14 B19 0.9(5) . . . . ?
B17 C22 B18 B14 140.8(4) . . . . ?
B17 C22 B18 B19 101.8(4) . . . . ?
B17 C22 B18 B22 38.8(3) . . . . ?
B17 B13 B16 C21 -98.9(4) . . . . ?
B17 B13 B16 B15 -64.1(4) . . . . ?
B17 B13 B16 B20 37.5(4) . . . . ?
B17 B13 B16 B21 -0.7(5) . . . . ?
B17 B13 B20 B16 -138.1(4) . . . . ?
B17 B13 B20 B21 -99.2(4) . . . . ?
B17 B13 B20 B22 -37.7(3) . . . . ?
B17 B18 B19 B14 100.2(4) . . . . ?
B17 B18 B19 B15 62.6(4) . . . . ?
B17 B18 B19 B21 -1.6(4) . . . . ?
B17 B18 B19 B22 -37.9(3) . . . . ?
B17 B18 B22 B19 137.9(4) . . . . ?
B17 B18 B22 B20 36.9(3) . . . . ?
B17 B18 B22 B21 100.4(4) . . . . ?
B17 B20 B21 B15 -64.7(5) . . . . ?
B17 B20 B21 B16 -101.4(4) . . . . ?
B17 B20 B21 B19 -1.4(5) . . . . ?
B17 B20 B21 B22 37.3(3) . . . . ?
B17 B20 B22 B18 -36.9(3) . . . . ?
B17 B20 B22 B19 -100.0(4) . . . . ?
B17 B20 B22 B21 -137.9(4) . . . . ?
B18 C22 B13 C21 -100.3(3) . . . . ?
B18 C22 B13 B16 -63.5(4) . . . . ?
B18 C22 B13 B17 37.5(3) . . . . ?
B18 C22 B13 B20 -1.1(4) . . . . ?
B18 C22 B14 C21 137.2(4) . . . . ?
B18 C22 B14 B15 100.1(4) . . . . ?
B18 C22 B14 B19 38.3(3) . . . . ?
B18 C22 B17 B13 -140.4(4) . . . . ?
B18 C22 B17 B20 -101.5(4) . . . . ?
B18 C22 B17 B22 -38.5(3) . . . . ?
B18 B14 B15 C21 99.3(4) . . . . ?
B18 B14 B15 B16 64.5(4) . . . . ?
B18 B14 B15 B19 -36.8(3) . . . . ?
B18 B14 B15 B21 1.4(4) . . . . ?
B18 B14 B19 B15 138.4(4) . . . . ?
B18 B14 B19 B21 99.4(4) . . . . ?
B18 B14 B19 B22 37.5(3) . . . . ?
B18 B17 B20 B13 -100.6(4) . . . . ?
B18 B17 B20 B16 -63.1(4) . . . . ?
B18 B17 B20 B21 0.4(5) . . . . ?
B18 B17 B20 B22 36.9(3) . . . . ?
B18 B17 B22 B19 -37.4(3) . . . . ?
B18 B17 B22 B20 -138.7(4) . . . . ?
B18 B17 B22 B21 -101.2(4) . . . . ?
B18 B19 B21 B15 102.3(4) . . . . ?
B18 B19 B21 B16 66.0(4) . . . . ?
B18 B19 B21 B20 1.8(5) . . . . ?
B18 B19 B21 B22 -37.0(3) . . . . ?
B18 B19 B22 B17 37.4(3) . . . . ?
B18 B19 B22 B20 100.6(4) . . . . ?
B18 B19 B22 B21 138.3(4) . . . . ?
B19 B14 B15 C21 136.0(4) . . . . ?
B19 B14 B15 B16 101.3(4) . . . . ?
B19 B14 B15 B21 38.2(3) . . . . ?
B19 B14 B18 C22 -136.1(4) . . . . ?
B19 B14 B18 B17 -101.5(4) . . . . ?
B19 B14 B18 B22 -37.7(3) . . . . ?
B19 B15 B16 C21 98.3(4) . . . . ?
B19 B15 B16 B13 63.4(4) . . . . ?
B19 B15 B16 B20 0.1(5) . . . . ?
B19 B15 B16 B21 -36.2(3) . . . . ?
B19 B15 B21 B16 139.5(4) . . . . ?
B19 B15 B21 B20 102.6(4) . . . . ?
B19 B15 B21 B22 37.2(3) . . . . ?
B19 B18 B22 B17 -137.9(4) . . . . ?
B19 B18 B22 B20 -101.0(4) . . . . ?
B19 B18 B22 B21 -37.5(3) . . . . ?
B19 B21 B22 B17 100.4(4) . . . . ?
B19 B21 B22 B18 37.2(3) . . . . ?
B19 B21 B22 B20 137.9(4) . . . . ?
B20 B13 B16 C21 -136.4(4) . . . . ?
B20 B13 B16 B15 -101.6(4) . . . . ?
B20 B13 B16 B21 -38.2(3) . . . . ?
B20 B13 B17 C22 136.3(4) . . . . ?
B20 B13 B17 B18 101.3(4) . . . . ?
B20 B13 B17 B22 38.0(3) . . . . ?
B20 B16 B21 B15 -139.1(4) . . . . ?
B20 B16 B21 B19 -103.1(4) . . . . ?
B20 B16 B21 B22 -38.1(4) . . . . ?
B20 B17 B18 C22 99.2(4) . . . . ?
B20 B17 B18 B14 64.5(4) . . . . ?
B20 B17 B18 B19 0.8(5) . . . . ?
B20 B17 B18 B22 -37.1(3) . . . . ?
B20 B17 B22 B18 138.7(4) . . . . ?
B20 B17 B22 B19 101.3(4) . . . . ?
B20 B17 B22 B21 37.6(3) . . . . ?
B20 B21 B22 B17 -37.5(4) . . . . ?
B20 B21 B22 B18 -100.7(4) . . . . ?
B20 B21 B22 B19 -137.9(4) . . . . ?
B21 B15 B16 C21 134.5(4) . . . . ?
B21 B15 B16 B13 99.7(4) . . . . ?
B21 B15 B16 B20 36.3(3) . . . . ?
B21 B15 B19 B14 -136.8(4) . . . . ?
B21 B15 B19 B18 -99.4(4) . . . . ?
B21 B15 B19 B22 -35.8(3) . . . . ?
B21 B16 B20 B13 136.4(4) . . . . ?
B21 B16 B20 B17 99.3(4) . . . . ?
B21 B16 B20 B22 36.1(3) . . . . ?
B21 B19 B22 B17 -100.9(4) . . . . ?
B21 B19 B22 B18 -138.3(4) . . . . ?
B21 B19 B22 B20 -37.7(3) . . . . ?
B21 B20 B22 B17 137.9(4) . . . . ?
B21 B20 B22 B18 101.1(4) . . . . ?
B21 B20 B22 B19 37.9(3) . . . . ?
B22 B17 B18 C22 136.3(4) . . . . ?
B22 B17 B18 B14 101.6(4) . . . . ?
B22 B17 B18 B19 37.9(3) . . . . ?
B22 B17 B20 B13 -137.6(4) . . . . ?
B22 B17 B20 B16 -100.0(4) . . . . ?
B22 B17 B20 B21 -36.6(3) . . . . ?
B22 B18 B19 B14 138.1(4) . . . . ?
B22 B18 B19 B15 100.5(4) . . . . ?
B22 B18 B19 B21 36.3(3) . . . . ?
B22 B19 B21 B15 139.3(4) . . . . ?
B22 B19 B21 B16 103.0(4) . . . . ?
B22 B19 B21 B20 38.9(4) . . . . ?
B22 B20 B21 B15 -102.0(4) . . . . ?
B22 B20 B21 B16 -138.6(4) . . . . ?
B22 B20 B21 B19 -38.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AlMa123_LiXi_a
_database_code_depnum_ccdc_archive 'CCDC 2326703'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-01-19 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
_audit_creation_date             2023-11-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/1
_chemical_formula_moiety         'C14 H31 B11 Cl2 N4 Si2'
_chemical_formula_sum            'C14 H31 B11 Cl2 N4 Si2'
_chemical_formula_weight         501.42
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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0990(2)
_cell_length_b                   10.65880(10)
_cell_length_c                   13.6478(2)
_cell_angle_alpha                85.5810(10)
_cell_angle_beta                 72.4300(10)
_cell_angle_gamma                72.3450(10)
_cell_volume                     1334.42(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20145
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.6940
_cell_measurement_theta_min      3.3760
_shelx_estimated_absorpt_T_max   0.766
_shelx_estimated_absorpt_T_min   0.687
_exptl_absorpt_coefficient_mu    3.125
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.42.102a (Rigaku Oxford Diffraction, 2023) Numerical 
 absorption correction based on gaussian integration over a multifaceted 
 crystal model Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_description       block
_exptl_crystal_F_000             520
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 1 0 0.0571
2 -2 -1 0.0397
-1 -2 -1 0.0467
1 2 1 0.0670
-2 2 -1 0.0593
-2 1 -1 0.0570
2 -2 1 0.0424
-1 0 -1 0.0394
1 0 1 0.0559
0 -1 0 0.0456
0 1 0 0.0645
-1 0 -2 0.0312
1 0 2 0.0561
-1 -2 -2 0.0419
1 2 2 0.0628
-1 2 -2 0.0559
-1 1 -2 0.0455
0 0 1 0.0427
0 0 -1 0.0502
0 -1 2 0.0390
0 1 2 0.0436
0 -1 -2 0.0449
0 -1 -1 0.0428
0 1 1 0.0461
1 2 -2 0.0593
-1 0 2 0.0468
-1 -1 2 0.0476
1 1 -2 0.0569
1 0 -2 0.0541
1 2 -1 0.0617
-1 -2 1 0.0493

_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0189
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27112
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.220
_diffrn_reflns_theta_min         3.397
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 HPA
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HyPix Arc150'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω     98.00 132.00   0.50    0.05    --   85.25  38.00 -87.07   68
  2  ω    100.00 126.00   0.50    0.05    --   85.25  47.00 -34.16   52
  3  ω     68.00 126.00   0.50    0.05    --   82.26  15.00 -90.00  116
  4  ω    108.00 133.00   0.50    0.05    --   82.26  15.00-180.00   50
  5  ω     61.00 121.00   0.50    0.05    --   85.25  14.00   0.56  120
  6  ω     89.00 128.00   0.50    0.05    --   82.26  15.00  30.00   78
  7  ω     83.00 134.00   0.50    0.05    --   85.25  22.00 156.31  102
  8  ω     87.00 124.00   0.50    0.05    --   82.26  15.00 120.00   74
  9  ω     51.00 111.00   0.50    0.05    --   82.26  15.00  90.00  120
 10  ω     49.00  74.00   0.50    0.05    --   85.25-118.00 159.98   50
 11  ω     32.00  98.00   0.50    0.05    --   78.00-117.00  -9.19  132
 12  ω     36.00  98.00   0.50    0.05    --   82.26-117.00 -35.00  124
 13  ω     67.00  93.00   0.50    0.05    --   82.26-112.00-150.00   52
 14  ω     37.00  62.00   0.50    0.05    --   82.26-112.00 -60.00   50
 15  ω     50.00  76.00   0.50    0.05    --   82.26-112.00-180.00   52
 16  ω     14.00  80.00   0.50    0.05    --   58.45-117.00 -35.00  132
 17  ω     37.00  62.00   0.50    0.05    --   82.26-112.00-120.00   50
 18  ω     25.00  93.00   0.50    0.05    --   71.26-117.00 -35.00  136
 19  ω     41.00  92.00   0.50    0.05    --   85.25-106.00 -11.43  102
 20  ω     43.00  69.00   0.50    0.05    --   82.26-112.00 -30.00   52
 21  ω     46.00  92.00   0.50    0.05    --   85.25 -97.00-160.81   92
 22  ω     37.00  71.00   0.50    0.05    --   82.26-112.00  30.00   68
 23  ω     42.00  88.00   0.50    0.05    --   82.26 -95.00   0.00   92
 24  ω     47.00  85.00   0.50    0.05    --   82.26 -95.00  60.00   76
 25  ω     43.00  92.00   0.50    0.05    --   85.25 -96.00 123.97   98
 26  ω     47.00  90.00   0.50    0.05    --   82.26 -95.00 150.00   86
 27  ω     42.00  93.00   0.50    0.05    --   82.26-112.00 120.00  102
 28  ω     40.00  73.00   0.50    0.05    --   85.25-107.00  93.24   66
 29  ω     44.00  89.00   0.50    0.05    --   82.26 -95.00  30.00   90
 30  ω     16.00  66.00   0.50    0.05    --   58.45 -95.00  30.00  100
 31  ω     44.00  69.00   0.50    0.05    --   82.26 -95.00  90.00   50
 32  ω     40.00  65.00   0.50    0.05    --   82.26 -95.00 -60.00   50
 33  ω     45.00  90.00   0.50    0.05    --   82.26 -95.00-120.00   90
 34  ω     40.00  90.00   0.50    0.05    --   82.26 -95.00-180.00  100
 35  ω     62.00  90.00   0.50    0.05    --   82.26 -95.00-150.00   56
 36  ω     55.00  82.00   0.50    0.05    --   85.25 -86.00 -77.25   54
 37  ω    -97.00 -32.00   0.50    0.05    --  -78.00 114.00  30.25  130
 38  ω    -91.00 -24.00   0.50    0.05    --  -69.85 117.00  51.00  134
 39  ω   -108.00 -34.00   0.50    0.05    --  -79.50 140.00 142.03  148
 40  ω    -99.00 -33.00   0.50    0.05    --  -79.50 124.00  99.12  132
 41  ω    -82.00 -14.00   0.50    0.05    --  -60.36 117.00  51.00  136
 42  ω    -98.00 -30.00   0.50    0.05    --  -76.37 117.00  51.00  136
 43  ω    -97.00 -33.00   0.50    0.05    --  -79.50 118.00-148.61  128
 44  ω   -124.00 -92.00   0.50    0.05    --  -79.50 -63.00 -33.38   64
 45  ω   -127.00 -92.00   0.50    0.05    --  -79.50 -53.00-101.91   70
 46  ω   -128.00 -93.00   0.50    0.05    --  -79.50 -52.00-137.40   70
 47  ω   -122.00 -87.00   0.50    0.05    --  -74.00 -52.00 -63.77   70
 48  ω   -128.00 -93.00   0.50    0.05    --  -79.50 -52.00  21.48   70
 49  ω   -128.00 -93.00   0.50    0.05    --  -79.50 -50.00  -5.26   70
 50  ω   -125.00 -91.00   0.50    0.05    --  -79.50 -60.00  52.84   68
 51  ω    -86.00 -51.00   0.50    0.05    --  -38.00 -51.00 166.02   70
 52  ω   -128.00 -93.00   0.50    0.05    --  -79.50 -51.00 176.49   70
 53  ω   -117.00 -84.00   0.50    0.05    --  -70.00 -57.00 166.08   66
 54  ω   -129.00 -92.00   0.50    0.05    --  -79.50 -45.00 132.47   74
 55  ω   -111.00 -76.00   0.50    0.05    --  -62.00 -47.00  52.56   70
 56  ω    -91.00 -56.00   0.50    0.05    --  -42.00 -49.00-147.84   70
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
;
 CrysAlisPro convention (1999,Acta A55,543-557)
;
_diffrn_orient_matrix_UB_11      -0.0240283000
_diffrn_orient_matrix_UB_12      -0.0242625000
_diffrn_orient_matrix_UB_13      0.1159555000
_diffrn_orient_matrix_UB_21      -0.1641861000
_diffrn_orient_matrix_UB_22      0.0290733000
_diffrn_orient_matrix_UB_23      0.0159829000
_diffrn_orient_matrix_UB_31      0.0224144000
_diffrn_orient_matrix_UB_32      -0.1468948000
_diffrn_orient_matrix_UB_33      -0.0179423000
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet-R X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5039
_reflns_number_total             5344
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal class for the 
 calculation of statistics and refinement. _reflns_Friedel_fraction is 
 defined as the number of unique Friedel pairs measured divided by the number 
 that would be possible theoretically, ignoring centric projections and 
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         5344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      1.070
_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)+(0.0462P)²+0.5297P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0832
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
1.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
1.c Boron cage BH refined with riding coordinates:
 B1(H1), B3(H3A), B4(H4A), B5(H5A), B6(H6A), B7(H7), B8(H8), B9(H9), B10(H10),
 B11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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
Cl1 Cl 0.29799(4) 0.89082(3) 0.01680(2) 0.02436(9) Uani 1 1 d . . . . .
Si1 Si 0.26283(4) 0.36136(3) 0.28483(3) 0.01946(10) Uani 1 1 d . . . . .
N1 N 0.14447(12) 0.73270(10) 0.18118(8) 0.0159(2) Uani 1 1 d . . . . .
C1 C 0.06613(14) 0.86691(12) 0.17185(10) 0.0164(3) Uani 1 1 d . . . . .
B1 B 0.38950(15) 0.61537(14) 0.38860(11) 0.0154(3) Uani 1 1 d . . . . .
H1 H 0.431737 0.506377 0.374161 0.018 Uiso 1 1 calc R U . . .
Cl2 Cl -0.15454(3) 0.81579(3) 0.32345(2) 0.02293(9) Uani 1 1 d . . . . .
Si2 Si 0.59697(4) 0.66012(3) 0.17396(3) 0.01783(9) Uani 1 1 d . . . . .
N2 N 0.22196(12) 0.52680(11) 0.23416(8) 0.0168(2) Uani 1 1 d . . . . .
C2 C 0.12317(14) 0.94958(13) 0.09818(10) 0.0191(3) Uani 1 1 d . . . . .
B2 B 0.21640(15) 0.65921(14) 0.25176(11) 0.0150(3) Uani 1 1 d . . . . .
N3 N 0.16096(13) 0.53019(11) 0.15375(9) 0.0203(2) Uani 1 1 d . . . . .
C3 C 0.04200(16) 1.07782(14) 0.08698(11) 0.0229(3) Uani 1 1 d . . . . .
H3 H 0.082698 1.132982 0.036494 0.027 Uiso 1 1 calc R U . . .
B3 B 0.34593(16) 0.68844(14) 0.51182(11) 0.0180(3) Uani 1 1 d . . . . .
H3A H 0.358874 0.627457 0.580802 0.022 Uiso 1 1 calc R U . . .
N4 N 0.11532(13) 0.64635(11) 0.12426(9) 0.0202(2) Uani 1 1 d . . . . .
C4 C -0.09929(17) 1.12431(14) 0.15048(11) 0.0248(3) Uani 1 1 d . . . . .
H4 H -0.155143 1.212193 0.143588 0.030 Uiso 1 1 calc R U . . .
B4 B 0.20061(16) 0.83739(15) 0.52027(11) 0.0183(3) Uani 1 1 d . . . . .
H4A H 0.117532 0.875607 0.595192 0.022 Uiso 1 1 calc R U . . .
C5 C -0.16007(15) 1.04452(14) 0.22374(11) 0.0224(3) Uani 1 1 d . . . . .
H5 H -0.256980 1.077074 0.266892 0.027 Uiso 1 1 calc R U . . .
B5 B 0.38199(17) 0.84426(15) 0.49194(12) 0.0189(3) Uani 1 1 d . . . . .
H5A H 0.418288 0.886891 0.548167 0.023 Uiso 1 1 calc R U . . .
C6 C -0.07759(14) 0.91630(13) 0.23335(10) 0.0181(3) Uani 1 1 d . . . . .
B6 B 0.49812(16) 0.70687(14) 0.41133(11) 0.0176(3) Uani 1 1 d . . . . .
H6A H 0.612133 0.658360 0.413866 0.021 Uiso 1 1 calc R U . . .
C7 C 0.27164(13) 0.71913(12) 0.32934(10) 0.0143(2) Uani 1 1 d . . . . .
B7 B 0.44766(17) 0.86397(14) 0.35697(12) 0.0182(3) Uani 1 1 d . . . . .
H7 H 0.528254 0.919828 0.323234 0.022 Uiso 1 1 calc R U . . .
C8 C 0.44717(14) 0.72560(12) 0.30078(10) 0.0155(2) Uani 1 1 d . . . . .
B8 B 0.26436(17) 0.94543(14) 0.42297(12) 0.0190(3) Uani 1 1 d . . . . .
H8 H 0.223280 1.055125 0.433090 0.023 Uiso 1 1 calc R U . . .
C9 C 0.20813(17) 0.36389(14) 0.42675(11) 0.0248(3) Uani 1 1 d . . . . .
H9A H 0.105484 0.414409 0.453228 0.037 Uiso 1 1 calc R U . . .
H9B H 0.267726 0.405069 0.450527 0.037 Uiso 1 1 calc R U . . .
H9C H 0.222151 0.273521 0.451793 0.037 Uiso 1 1 calc R U . . .
B9 B 0.15483(16) 0.85331(14) 0.40315(11) 0.0170(3) Uani 1 1 d . . . . .
H9 H 0.041184 0.902038 0.399926 0.020 Uiso 1 1 calc R U . . .
C10 C 0.75316(16) 0.53702(15) 0.20545(12) 0.0270(3) Uani 1 1 d . . . . .
H10A H 0.825527 0.496039 0.141833 0.041 Uiso 1 1 calc R U . . .
H10B H 0.718922 0.469205 0.249307 0.041 Uiso 1 1 calc R U . . .
H10C H 0.797312 0.580987 0.241786 0.041 Uiso 1 1 calc R U . . .
B10 B 0.30857(16) 0.86812(14) 0.30131(11) 0.0170(3) Uani 1 1 d . . . . .
H10 H 0.297692 0.924380 0.229966 0.020 Uiso 1 1 calc R U . . .
C11 C 0.1552(2) 0.27644(17) 0.24108(15) 0.0416(4) Uani 1 1 d . . . . .
H11A H 0.052015 0.326604 0.264381 0.062 Uiso 1 1 calc R U . . .
H11B H 0.168825 0.187909 0.269863 0.062 Uiso 1 1 calc R U . . .
H11C H 0.187659 0.269874 0.165855 0.062 Uiso 1 1 calc R U . . .
B11 B 0.20465(16) 0.69571(14) 0.45774(11) 0.0166(3) Uani 1 1 d . . . . .
H11 H 0.124047 0.639708 0.490899 0.020 Uiso 1 1 calc R U . . .
C12 C 0.46004(19) 0.27541(16) 0.23255(14) 0.0371(4) Uani 1 1 d . . . . .
H12A H 0.488476 0.278265 0.157307 0.056 Uiso 1 1 calc R U . . .
H12B H 0.479990 0.183521 0.254408 0.056 Uiso 1 1 calc R U . . .
H12C H 0.515700 0.319096 0.258360 0.056 Uiso 1 1 calc R U . . .
C13 C 0.65242(18) 0.80230(16) 0.10649(12) 0.0295(3) Uani 1 1 d . . . . .
H13A H 0.718581 0.774125 0.037736 0.044 Uiso 1 1 calc R U . . .
H13B H 0.701845 0.835756 0.145659 0.044 Uiso 1 1 calc R U . . .
H13C H 0.566104 0.872088 0.100473 0.044 Uiso 1 1 calc R U . . .
C14 C 0.53270(15) 0.57966(14) 0.08936(11) 0.0236(3) Uani 1 1 d . . . . .
H14A H 0.445897 0.641356 0.076187 0.035 Uiso 1 1 calc R U . . .
H14B H 0.508885 0.501415 0.123019 0.035 Uiso 1 1 calc R U . . .
H14C H 0.609314 0.553655 0.024111 0.035 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Cl1 C2 1.7307(14) . ?
Si1 N2 1.8169(11) . ?
Si1 C9 1.8467(15) . ?
Si1 C11 1.8522(16) . ?
Si1 C12 1.8577(17) . ?
N1 C1 1.4265(16) . ?
N1 B2 1.4249(18) . ?
N1 N4 1.3962(15) . ?
C1 C2 1.3931(18) . ?
C1 C6 1.3991(18) . ?
B1 B3 1.782(2) . ?
B1 B6 1.775(2) . ?
B1 C7 1.7143(18) . ?
B1 C8 1.7125(19) . ?
B1 B11 1.789(2) . ?
Cl2 C6 1.7288(14) . ?
Si2 C8 1.9330(13) . ?
Si2 C10 1.8605(15) . ?
Si2 C13 1.8565(15) . ?
Si2 C14 1.8527(14) . ?
N2 B2 1.4314(18) . ?
N2 N3 1.4049(15) . ?
C2 C3 1.3883(19) . ?
B2 C7 1.5865(18) . ?
N3 N4 1.2635(16) . ?
C3 C4 1.387(2) . ?
B3 B4 1.789(2) . ?
B3 B5 1.789(2) . ?
B3 B6 1.775(2) . ?
B3 B11 1.774(2) . ?
C4 C5 1.384(2) . ?
B4 B5 1.778(2) . ?
B4 B8 1.789(2) . ?
B4 B9 1.776(2) . ?
B4 B11 1.775(2) . ?
C5 C6 1.3880(19) . ?
B5 B6 1.777(2) . ?
B5 B7 1.779(2) . ?
B5 B8 1.789(2) . ?
B6 B7 1.770(2) . ?
B6 C8 1.7149(19) . ?
C7 C8 1.7182(17) . ?
C7 B9 1.7126(18) . ?
C7 B10 1.7283(18) . ?
C7 B11 1.7058(19) . ?
B7 C8 1.7159(18) . ?
B7 B8 1.769(2) . ?
B7 B10 1.776(2) . ?
C8 B10 1.7242(19) . ?
B8 B9 1.772(2) . ?
B8 B10 1.782(2) . ?
B9 B10 1.783(2) . ?
B9 B11 1.775(2) . ?

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
N2 Si1 C9 111.45(6) . . ?
N2 Si1 C11 106.12(7) . . ?
N2 Si1 C12 109.73(7) . . ?
C9 Si1 C11 108.93(8) . . ?
C9 Si1 C12 110.33(8) . . ?
C11 Si1 C12 110.20(9) . . ?
B2 N1 C1 135.87(11) . . ?
N4 N1 C1 112.79(10) . . ?
N4 N1 B2 109.11(10) . . ?
C2 C1 N1 122.57(12) . . ?
C2 C1 C6 117.81(12) . . ?
C6 C1 N1 119.44(11) . . ?
B3 B1 B11 59.57(8) . . ?
B6 B1 B3 59.86(8) . . ?
B6 B1 B11 107.56(10) . . ?
C7 B1 B3 105.29(10) . . ?
C7 B1 B6 106.73(10) . . ?
C7 B1 B11 58.23(8) . . ?
C8 B1 B3 105.99(10) . . ?
C8 B1 B6 58.87(8) . . ?
C8 B1 C7 60.18(8) . . ?
C8 B1 B11 106.66(10) . . ?
C10 Si2 C8 108.59(6) . . ?
C13 Si2 C8 107.75(6) . . ?
C13 Si2 C10 110.70(7) . . ?
C14 Si2 C8 112.10(6) . . ?
C14 Si2 C10 108.48(7) . . ?
C14 Si2 C13 109.23(7) . . ?
B2 N2 Si1 143.05(9) . . ?
N3 N2 Si1 109.62(8) . . ?
N3 N2 B2 106.98(10) . . ?
C1 C2 Cl1 119.53(10) . . ?
C3 C2 Cl1 118.92(11) . . ?
C3 C2 C1 121.54(13) . . ?
N1 B2 N2 103.15(11) . . ?
N1 B2 C7 125.45(12) . . ?
N2 B2 C7 131.40(12) . . ?
N4 N3 N2 111.67(10) . . ?
C4 C3 C2 119.10(13) . . ?
B1 B3 B4 107.71(10) . . ?
B1 B3 B5 107.54(10) . . ?
B4 B3 B5 59.57(8) . . ?
B6 B3 B1 59.88(8) . . ?
B6 B3 B4 107.49(10) . . ?
B6 B3 B5 59.80(8) . . ?
B11 B3 B1 60.40(8) . . ?
B11 B3 B4 59.76(8) . . ?
B11 B3 B5 107.63(10) . . ?
B11 B3 B6 108.24(10) . . ?
N3 N4 N1 109.02(10) . . ?
C5 C4 C3 120.95(13) . . ?
B3 B4 B8 107.95(10) . . ?
B5 B4 B3 60.23(8) . . ?
B5 B4 B8 60.22(8) . . ?
B9 B4 B3 107.65(10) . . ?
B9 B4 B5 108.02(11) . . ?
B9 B4 B8 59.61(8) . . ?
B11 B4 B3 59.70(8) . . ?
B11 B4 B5 108.10(10) . . ?
B11 B4 B8 107.66(10) . . ?
B11 B4 B9 59.98(8) . . ?
C4 C5 C6 119.12(13) . . ?
B4 B5 B3 60.20(8) . . ?
B4 B5 B7 107.70(10) . . ?
B4 B5 B8 60.22(8) . . ?
B6 B5 B3 59.69(8) . . ?
B6 B5 B4 107.91(10) . . ?
B6 B5 B7 59.71(8) . . ?
B6 B5 B8 107.38(10) . . ?
B7 B5 B3 107.38(10) . . ?
B7 B5 B8 59.46(8) . . ?
B8 B5 B3 107.92(10) . . ?
C1 C6 Cl2 119.43(10) . . ?
C5 C6 C1 121.45(13) . . ?
C5 C6 Cl2 119.12(11) . . ?
B1 B6 B5 108.39(10) . . ?
B3 B6 B1 60.26(8) . . ?
B3 B6 B5 60.50(8) . . ?
B7 B6 B1 107.42(10) . . ?
B7 B6 B3 108.40(10) . . ?
B7 B6 B5 60.19(8) . . ?
C8 B6 B1 58.74(8) . . ?
C8 B6 B3 106.20(10) . . ?
C8 B6 B5 106.26(10) . . ?
C8 B6 B7 58.96(8) . . ?
B1 C7 C8 59.86(7) . . ?
B1 C7 B10 111.55(10) . . ?
B2 C7 B1 119.12(10) . . ?
B2 C7 C8 122.45(10) . . ?
B2 C7 B9 118.45(10) . . ?
B2 C7 B10 118.86(10) . . ?
B2 C7 B11 118.47(10) . . ?
C8 C7 B10 60.04(8) . . ?
B9 C7 B1 113.74(10) . . ?
B9 C7 C8 109.88(9) . . ?
B9 C7 B10 62.42(8) . . ?
B11 C7 B1 63.07(8) . . ?
B11 C7 C8 110.23(9) . . ?
B11 C7 B9 62.56(8) . . ?
B11 C7 B10 113.51(10) . . ?
B6 B7 B5 60.09(8) . . ?
B6 B7 B10 107.86(10) . . ?
C8 B7 B5 106.14(10) . . ?
C8 B7 B6 58.91(8) . . ?
C8 B7 B8 106.49(10) . . ?
C8 B7 B10 59.15(8) . . ?
B8 B7 B5 60.57(9) . . ?
B8 B7 B6 108.57(11) . . ?
B8 B7 B10 60.35(8) . . ?
B10 B7 B5 108.59(11) . . ?
B1 C8 Si2 119.05(8) . . ?
B1 C8 B6 62.39(8) . . ?
B1 C8 C7 59.96(7) . . ?
B1 C8 B7 112.94(10) . . ?
B1 C8 B10 111.84(10) . . ?
B6 C8 Si2 117.46(8) . . ?
B6 C8 C7 109.31(9) . . ?
B6 C8 B7 62.12(8) . . ?
B6 C8 B10 112.90(10) . . ?
C7 C8 Si2 124.31(8) . . ?
C7 C8 B10 60.27(7) . . ?
B7 C8 Si2 118.13(9) . . ?
B7 C8 C7 109.30(9) . . ?
B7 C8 B10 62.16(8) . . ?
B10 C8 Si2 119.98(9) . . ?
B4 B8 B5 59.56(8) . . ?
B7 B8 B4 107.59(10) . . ?
B7 B8 B5 59.98(8) . . ?
B7 B8 B9 108.13(10) . . ?
B7 B8 B10 60.00(8) . . ?
B9 B8 B4 59.82(8) . . ?
B9 B8 B5 107.66(10) . . ?
B9 B8 B10 60.22(8) . . ?
B10 B8 B4 107.78(10) . . ?
B10 B8 B5 107.85(10) . . ?
B4 B9 B10 108.32(10) . . ?
C7 B9 B4 105.60(10) . . ?
C7 B9 B8 106.19(10) . . ?
C7 B9 B10 59.22(8) . . ?
C7 B9 B11 58.53(8) . . ?
B8 B9 B4 60.57(8) . . ?
B8 B9 B10 60.16(8) . . ?
B8 B9 B11 108.42(10) . . ?
B11 B9 B4 59.98(8) . . ?
B11 B9 B10 107.65(10) . . ?
C7 B10 B7 106.12(10) . . ?
C7 B10 B8 105.10(10) . . ?
C7 B10 B9 58.36(8) . . ?
B7 B10 B8 59.65(8) . . ?
B7 B10 B9 107.37(10) . . ?
C8 B10 C7 59.69(7) . . ?
C8 B10 B7 58.69(8) . . ?
C8 B10 B8 105.58(10) . . ?
C8 B10 B9 106.38(10) . . ?
B8 B10 B9 59.62(8) . . ?
B3 B11 B1 60.02(8) . . ?
B3 B11 B4 60.54(8) . . ?
B3 B11 B9 108.37(10) . . ?
B4 B11 B1 108.02(10) . . ?
C7 B11 B1 58.70(8) . . ?
C7 B11 B3 106.01(10) . . ?
C7 B11 B4 105.93(10) . . ?
C7 B11 B9 58.90(8) . . ?
B9 B11 B1 107.27(10) . . ?
B9 B11 B4 60.04(8) . . ?

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
Cl1 C2 C3 C4 178.54(11) . . . . ?
Si1 N2 B2 N1 -169.31(12) . . . . ?
Si1 N2 B2 C7 10.0(3) . . . . ?
Si1 N2 N3 N4 172.31(9) . . . . ?
N1 C1 C2 Cl1 -2.22(17) . . . . ?
N1 C1 C2 C3 176.53(12) . . . . ?
N1 C1 C6 Cl2 2.91(16) . . . . ?
N1 C1 C6 C5 -177.12(11) . . . . ?
N1 B2 C7 B1 -166.00(12) . . . . ?
N1 B2 C7 C8 -95.08(15) . . . . ?
N1 B2 C7 B9 48.32(18) . . . . ?
N1 B2 C7 B10 -24.07(18) . . . . ?
N1 B2 C7 B11 120.72(14) . . . . ?
C1 N1 B2 N2 159.16(14) . . . . ?
C1 N1 B2 C7 -20.2(2) . . . . ?
C1 N1 N4 N3 -165.35(11) . . . . ?
C1 C2 C3 C4 -0.2(2) . . . . ?
B1 B3 B4 B5 -100.33(11) . . . . ?
B1 B3 B4 B8 -62.21(13) . . . . ?
B1 B3 B4 B9 0.73(14) . . . . ?
B1 B3 B4 B11 38.16(10) . . . . ?
B1 B3 B5 B4 100.62(11) . . . . ?
B1 B3 B5 B6 -37.55(9) . . . . ?
B1 B3 B5 B7 -0.20(13) . . . . ?
B1 B3 B5 B8 62.51(13) . . . . ?
B1 B3 B6 B5 137.80(10) . . . . ?
B1 B3 B6 B7 99.98(11) . . . . ?
B1 B3 B6 C8 37.97(9) . . . . ?
B1 B3 B11 B4 -137.40(11) . . . . ?
B1 B3 B11 C7 -37.85(9) . . . . ?
B1 B3 B11 B9 -99.76(11) . . . . ?
B1 B6 B7 B5 101.61(11) . . . . ?
B1 B6 B7 C8 -34.55(9) . . . . ?
B1 B6 B7 B8 63.91(12) . . . . ?
B1 B6 B7 B10 0.02(13) . . . . ?
B1 B6 C8 Si2 -110.23(10) . . . . ?
B1 B6 C8 C7 38.56(9) . . . . ?
B1 B6 C8 B7 140.73(10) . . . . ?
B1 B6 C8 B10 103.58(11) . . . . ?
B1 C7 C8 Si2 106.53(10) . . . . ?
B1 C7 C8 B6 -39.65(9) . . . . ?
B1 C7 C8 B7 -105.93(11) . . . . ?
B1 C7 C8 B10 -145.60(10) . . . . ?
B1 C7 B9 B4 0.55(14) . . . . ?
B1 C7 B9 B8 63.80(13) . . . . ?
B1 C7 B9 B10 102.89(11) . . . . ?
B1 C7 B9 B11 -38.21(10) . . . . ?
B1 C7 B10 B7 -5.61(13) . . . . ?
B1 C7 B10 C8 31.69(9) . . . . ?
B1 C7 B10 B8 -67.78(12) . . . . ?
B1 C7 B10 B9 -106.38(11) . . . . ?
B1 C7 B11 B3 38.47(9) . . . . ?
B1 C7 B11 B4 101.72(11) . . . . ?
B1 C7 B11 B9 140.58(10) . . . . ?
B1 C8 B10 C7 -31.80(9) . . . . ?
B1 C8 B10 B7 105.25(11) . . . . ?
B1 C8 B10 B8 66.85(12) . . . . ?
B1 C8 B10 B9 4.57(13) . . . . ?
Si2 C8 B10 C7 114.83(10) . . . . ?
Si2 C8 B10 B7 -108.11(10) . . . . ?
Si2 C8 B10 B8 -146.52(9) . . . . ?
Si2 C8 B10 B9 151.20(8) . . . . ?
N2 B2 C7 B1 14.8(2) . . . . ?
N2 B2 C7 C8 85.70(17) . . . . ?
N2 B2 C7 B9 -130.90(14) . . . . ?
N2 B2 C7 B10 156.71(13) . . . . ?
N2 B2 C7 B11 -58.50(18) . . . . ?
N2 N3 N4 N1 1.28(15) . . . . ?
C2 C1 C6 Cl2 178.28(9) . . . . ?
C2 C1 C6 C5 -1.76(19) . . . . ?
C2 C3 C4 C5 -0.5(2) . . . . ?
B2 N1 C1 C2 107.11(17) . . . . ?
B2 N1 C1 C6 -77.75(19) . . . . ?
B2 N1 N4 N3 0.47(14) . . . . ?
B2 N2 N3 N4 -2.52(15) . . . . ?
B2 C7 C8 B1 -107.32(12) . . . . ?
B2 C7 C8 Si2 -0.79(16) . . . . ?
B2 C7 C8 B6 -146.97(11) . . . . ?
B2 C7 C8 B7 146.75(11) . . . . ?
B2 C7 C8 B10 107.08(12) . . . . ?
B2 C7 B9 B4 148.00(11) . . . . ?
B2 C7 B9 B8 -148.75(11) . . . . ?
B2 C7 B9 B10 -109.66(12) . . . . ?
B2 C7 B9 B11 109.24(12) . . . . ?
B2 C7 B10 B7 -150.22(11) . . . . ?
B2 C7 B10 C8 -112.92(12) . . . . ?
B2 C7 B10 B8 147.61(11) . . . . ?
B2 C7 B10 B9 109.01(12) . . . . ?
B2 C7 B11 B1 110.21(12) . . . . ?
B2 C7 B11 B3 148.68(11) . . . . ?
B2 C7 B11 B4 -148.07(11) . . . . ?
B2 C7 B11 B9 -109.21(12) . . . . ?
N3 N2 B2 N1 2.57(13) . . . . ?
N3 N2 B2 C7 -178.08(13) . . . . ?
C3 C4 C5 C6 0.1(2) . . . . ?
B3 B1 B6 B5 -38.04(10) . . . . ?
B3 B1 B6 B7 -101.64(11) . . . . ?
B3 B1 B6 C8 -136.28(10) . . . . ?
B3 B1 C7 B2 -147.31(11) . . . . ?
B3 B1 C7 C8 99.93(10) . . . . ?
B3 B1 C7 B9 -0.10(13) . . . . ?
B3 B1 C7 B10 68.18(12) . . . . ?
B3 B1 C7 B11 -38.10(9) . . . . ?
B3 B1 C8 Si2 146.19(9) . . . . ?
B3 B1 C8 B6 38.45(9) . . . . ?
B3 B1 C8 C7 -98.74(10) . . . . ?
B3 B1 C8 B7 1.03(13) . . . . ?
B3 B1 C8 B10 -66.84(12) . . . . ?
B3 B1 B11 B4 38.30(10) . . . . ?
B3 B1 B11 C7 136.34(10) . . . . ?
B3 B1 B11 B9 101.63(11) . . . . ?
B3 B4 B5 B6 37.23(10) . . . . ?
B3 B4 B5 B7 100.28(11) . . . . ?
B3 B4 B5 B8 137.42(10) . . . . ?
B3 B4 B8 B5 -38.13(10) . . . . ?
B3 B4 B8 B7 -0.79(13) . . . . ?
B3 B4 B8 B9 100.35(11) . . . . ?
B3 B4 B8 B10 62.52(13) . . . . ?
B3 B4 B9 C7 -0.77(13) . . . . ?
B3 B4 B9 B8 -100.85(11) . . . . ?
B3 B4 B9 B10 -62.92(13) . . . . ?
B3 B4 B9 B11 37.30(10) . . . . ?
B3 B4 B11 B1 -38.07(10) . . . . ?
B3 B4 B11 C7 -99.69(11) . . . . ?
B3 B4 B11 B9 -138.02(11) . . . . ?
B3 B5 B6 B1 37.93(10) . . . . ?
B3 B5 B6 B7 137.90(11) . . . . ?
B3 B5 B6 C8 99.72(11) . . . . ?
B3 B5 B7 B6 -37.34(10) . . . . ?
B3 B5 B7 C8 0.80(13) . . . . ?
B3 B5 B7 B8 100.93(11) . . . . ?
B3 B5 B7 B10 63.03(12) . . . . ?
B3 B5 B8 B4 38.11(10) . . . . ?
B3 B5 B8 B7 -100.00(11) . . . . ?
B3 B5 B8 B9 1.14(14) . . . . ?
B3 B5 B8 B10 -62.44(13) . . . . ?
B3 B6 B7 B5 37.95(10) . . . . ?
B3 B6 B7 C8 -98.22(11) . . . . ?
B3 B6 B7 B8 0.25(13) . . . . ?
B3 B6 B7 B10 -63.64(13) . . . . ?
B3 B6 C8 B1 -38.67(9) . . . . ?
B3 B6 C8 Si2 -148.90(8) . . . . ?
B3 B6 C8 C7 -0.11(12) . . . . ?
B3 B6 C8 B7 102.05(11) . . . . ?
B3 B6 C8 B10 64.91(12) . . . . ?
N4 N1 C1 C2 -92.30(14) . . . . ?
N4 N1 C1 C6 82.84(14) . . . . ?
N4 N1 B2 N2 -1.91(14) . . . . ?
N4 N1 B2 C7 178.69(12) . . . . ?
C4 C5 C6 C1 1.1(2) . . . . ?
C4 C5 C6 Cl2 -178.95(10) . . . . ?
B4 B3 B5 B6 -138.17(11) . . . . ?
B4 B3 B5 B7 -100.83(11) . . . . ?
B4 B3 B5 B8 -38.12(10) . . . . ?
B4 B3 B6 B1 -100.72(11) . . . . ?
B4 B3 B6 B5 37.08(10) . . . . ?
B4 B3 B6 B7 -0.73(13) . . . . ?
B4 B3 B6 C8 -62.75(12) . . . . ?
B4 B3 B11 B1 137.40(11) . . . . ?
B4 B3 B11 C7 99.54(11) . . . . ?
B4 B3 B11 B9 37.63(10) . . . . ?
B4 B5 B6 B1 0.47(14) . . . . ?
B4 B5 B6 B3 -37.46(10) . . . . ?
B4 B5 B6 B7 100.44(11) . . . . ?
B4 B5 B6 C8 62.26(13) . . . . ?
B4 B5 B7 B6 -100.80(11) . . . . ?
B4 B5 B7 C8 -62.67(12) . . . . ?
B4 B5 B7 B8 37.47(10) . . . . ?
B4 B5 B7 B10 -0.43(13) . . . . ?
B4 B5 B8 B7 -138.11(10) . . . . ?
B4 B5 B8 B9 -36.97(10) . . . . ?
B4 B5 B8 B10 -100.54(11) . . . . ?
B4 B8 B9 C7 -99.07(11) . . . . ?
B4 B8 B9 B10 -137.72(10) . . . . ?
B4 B8 B9 B11 -37.51(10) . . . . ?
B4 B8 B10 C7 -0.35(13) . . . . ?
B4 B8 B10 B7 -100.44(11) . . . . ?
B4 B8 B10 C8 -62.49(12) . . . . ?
B4 B8 B10 B9 37.64(10) . . . . ?
B4 B9 B10 C7 97.61(10) . . . . ?
B4 B9 B10 B7 -0.96(13) . . . . ?
B4 B9 B10 C8 60.65(12) . . . . ?
B4 B9 B10 B8 -38.11(10) . . . . ?
B4 B9 B11 B1 -101.23(11) . . . . ?
B4 B9 B11 B3 -37.86(10) . . . . ?
B4 B9 B11 C7 -135.86(11) . . . . ?
B5 B3 B4 B8 38.12(10) . . . . ?
B5 B3 B4 B9 101.06(11) . . . . ?
B5 B3 B4 B11 138.49(11) . . . . ?
B5 B3 B6 B1 -137.80(10) . . . . ?
B5 B3 B6 B7 -37.81(10) . . . . ?
B5 B3 B6 C8 -99.83(11) . . . . ?
B5 B3 B11 B1 100.56(11) . . . . ?
B5 B3 B11 B4 -36.84(10) . . . . ?
B5 B3 B11 C7 62.71(12) . . . . ?
B5 B3 B11 B9 0.80(13) . . . . ?
B5 B4 B8 B7 37.34(10) . . . . ?
B5 B4 B8 B9 138.47(10) . . . . ?
B5 B4 B8 B10 100.65(11) . . . . ?
B5 B4 B9 C7 62.84(12) . . . . ?
B5 B4 B9 B8 -37.23(10) . . . . ?
B5 B4 B9 B10 0.70(13) . . . . ?
B5 B4 B9 B11 100.92(11) . . . . ?
B5 B4 B11 B1 -0.83(14) . . . . ?
B5 B4 B11 B3 37.24(10) . . . . ?
B5 B4 B11 C7 -62.45(12) . . . . ?
B5 B4 B11 B9 -100.77(11) . . . . ?
B5 B6 B7 C8 -136.16(11) . . . . ?
B5 B6 B7 B8 -37.70(10) . . . . ?
B5 B6 B7 B10 -101.59(11) . . . . ?
B5 B6 C8 B1 -101.97(11) . . . . ?
B5 B6 C8 Si2 147.80(9) . . . . ?
B5 B6 C8 C7 -63.41(12) . . . . ?
B5 B6 C8 B7 38.76(10) . . . . ?
B5 B6 C8 B10 1.61(13) . . . . ?
B5 B7 C8 B1 -1.16(13) . . . . ?
B5 B7 C8 Si2 -146.67(9) . . . . ?
B5 B7 C8 B6 -38.68(10) . . . . ?
B5 B7 C8 C7 63.51(12) . . . . ?
B5 B7 C8 B10 102.33(11) . . . . ?
B5 B7 B8 B4 -37.15(10) . . . . ?
B5 B7 B8 B9 -100.34(11) . . . . ?
B5 B7 B8 B10 -137.93(11) . . . . ?
B5 B7 B10 C7 -60.34(12) . . . . ?
B5 B7 B10 C8 -98.09(11) . . . . ?
B5 B7 B10 B8 38.00(10) . . . . ?
B5 B7 B10 B9 0.86(13) . . . . ?
B5 B8 B9 B4 36.86(10) . . . . ?
B5 B8 B9 C7 -62.21(12) . . . . ?
B5 B8 B9 B10 -100.86(11) . . . . ?
B5 B8 B9 B11 -0.65(14) . . . . ?
B5 B8 B10 C7 62.54(12) . . . . ?
B5 B8 B10 B7 -37.55(10) . . . . ?
B5 B8 B10 C8 0.41(13) . . . . ?
B5 B8 B10 B9 100.54(11) . . . . ?
C6 C1 C2 Cl1 -177.43(9) . . . . ?
C6 C1 C2 C3 1.32(19) . . . . ?
B6 B1 B3 B4 100.34(11) . . . . ?
B6 B1 B3 B5 37.51(10) . . . . ?
B6 B1 B3 B11 138.21(10) . . . . ?
B6 B1 C7 B2 150.16(11) . . . . ?
B6 B1 C7 C8 37.40(9) . . . . ?
B6 B1 C7 B9 -62.63(13) . . . . ?
B6 B1 C7 B10 5.65(13) . . . . ?
B6 B1 C7 B11 -100.63(11) . . . . ?
B6 B1 C8 Si2 107.74(10) . . . . ?
B6 B1 C8 C7 -137.19(10) . . . . ?
B6 B1 C8 B7 -37.42(10) . . . . ?
B6 B1 C8 B10 -105.28(11) . . . . ?
B6 B1 B11 B3 -37.19(10) . . . . ?
B6 B1 B11 B4 1.11(13) . . . . ?
B6 B1 B11 C7 99.15(10) . . . . ?
B6 B1 B11 B9 64.44(12) . . . . ?
B6 B3 B4 B5 -37.18(10) . . . . ?
B6 B3 B4 B8 0.94(13) . . . . ?
B6 B3 B4 B9 63.88(13) . . . . ?
B6 B3 B4 B11 101.31(11) . . . . ?
B6 B3 B5 B4 138.17(11) . . . . ?
B6 B3 B5 B7 37.34(10) . . . . ?
B6 B3 B5 B8 100.06(11) . . . . ?
B6 B3 B11 B1 37.36(9) . . . . ?
B6 B3 B11 B4 -100.03(11) . . . . ?
B6 B3 B11 C7 -0.49(13) . . . . ?
B6 B3 B11 B9 -62.40(12) . . . . ?
B6 B5 B7 C8 38.13(9) . . . . ?
B6 B5 B7 B8 138.27(11) . . . . ?
B6 B5 B7 B10 100.37(11) . . . . ?
B6 B5 B8 B4 101.07(11) . . . . ?
B6 B5 B8 B7 -37.03(10) . . . . ?
B6 B5 B8 B9 64.10(13) . . . . ?
B6 B5 B8 B10 0.53(14) . . . . ?
B6 B7 C8 B1 37.52(10) . . . . ?
B6 B7 C8 Si2 -107.98(10) . . . . ?
B6 B7 C8 C7 102.20(10) . . . . ?
B6 B7 C8 B10 141.02(11) . . . . ?
B6 B7 B8 B4 0.34(13) . . . . ?
B6 B7 B8 B5 37.49(10) . . . . ?
B6 B7 B8 B9 -62.84(13) . . . . ?
B6 B7 B8 B10 -100.44(11) . . . . ?
B6 B7 B10 C7 3.28(13) . . . . ?
B6 B7 B10 C8 -34.47(9) . . . . ?
B6 B7 B10 B8 101.62(11) . . . . ?
B6 B7 B10 B9 64.48(12) . . . . ?
B6 C8 B10 C7 -99.92(11) . . . . ?
B6 C8 B10 B7 37.13(10) . . . . ?
B6 C8 B10 B8 -1.27(13) . . . . ?
B6 C8 B10 B9 -63.55(12) . . . . ?
C7 B1 B3 B4 -0.40(13) . . . . ?
C7 B1 B3 B5 -63.22(12) . . . . ?
C7 B1 B3 B6 -100.73(10) . . . . ?
C7 B1 B3 B11 37.48(9) . . . . ?
C7 B1 B6 B3 98.28(10) . . . . ?
C7 B1 B6 B5 60.24(12) . . . . ?
C7 B1 B6 B7 -3.35(13) . . . . ?
C7 B1 B6 C8 -38.00(9) . . . . ?
C7 B1 C8 Si2 -115.07(10) . . . . ?
C7 B1 C8 B6 137.19(10) . . . . ?
C7 B1 C8 B7 99.77(11) . . . . ?
C7 B1 C8 B10 31.91(9) . . . . ?
C7 B1 B11 B3 -136.34(10) . . . . ?
C7 B1 B11 B4 -98.04(11) . . . . ?
C7 B1 B11 B9 -34.71(9) . . . . ?
C7 C8 B10 B7 137.05(10) . . . . ?
C7 C8 B10 B8 98.64(11) . . . . ?
C7 C8 B10 B9 36.37(9) . . . . ?
C7 B9 B10 B7 -98.57(10) . . . . ?
C7 B9 B10 C8 -36.96(9) . . . . ?
C7 B9 B10 B8 -135.72(10) . . . . ?
C7 B9 B11 B1 34.62(9) . . . . ?
C7 B9 B11 B3 98.00(11) . . . . ?
C7 B9 B11 B4 135.86(11) . . . . ?
B7 B5 B6 B1 -99.97(11) . . . . ?
B7 B5 B6 B3 -137.90(11) . . . . ?
B7 B5 B6 C8 -38.18(9) . . . . ?
B7 B5 B8 B4 138.11(10) . . . . ?
B7 B5 B8 B9 101.14(11) . . . . ?
B7 B5 B8 B10 37.56(10) . . . . ?
B7 B6 C8 B1 -140.73(10) . . . . ?
B7 B6 C8 Si2 109.04(10) . . . . ?
B7 B6 C8 C7 -102.16(10) . . . . ?
B7 B6 C8 B10 -37.15(10) . . . . ?
B7 C8 B10 C7 -137.05(10) . . . . ?
B7 C8 B10 B8 -38.41(10) . . . . ?
B7 C8 B10 B9 -100.68(11) . . . . ?
B7 B8 B9 B4 100.22(11) . . . . ?
B7 B8 B9 C7 1.15(13) . . . . ?
B7 B8 B9 B10 -37.50(10) . . . . ?
B7 B8 B9 B11 62.72(13) . . . . ?
B7 B8 B10 C7 100.09(10) . . . . ?
B7 B8 B10 C8 37.96(9) . . . . ?
B7 B8 B10 B9 138.09(11) . . . . ?
C8 B1 B3 B4 62.35(12) . . . . ?
C8 B1 B3 B5 -0.47(13) . . . . ?
C8 B1 B3 B6 -37.98(9) . . . . ?
C8 B1 B3 B11 100.23(10) . . . . ?
C8 B1 B6 B3 136.28(10) . . . . ?
C8 B1 B6 B5 98.24(11) . . . . ?
C8 B1 B6 B7 34.65(9) . . . . ?
C8 B1 C7 B2 112.75(12) . . . . ?
C8 B1 C7 B9 -100.03(11) . . . . ?
C8 B1 C7 B10 -31.75(9) . . . . ?
C8 B1 C7 B11 -138.04(10) . . . . ?
C8 B1 B11 B3 -99.07(10) . . . . ?
C8 B1 B11 B4 -60.77(12) . . . . ?
C8 B1 B11 C7 37.27(9) . . . . ?
C8 B1 B11 B9 2.56(13) . . . . ?
C8 B6 B7 B5 136.16(11) . . . . ?
C8 B6 B7 B8 98.46(11) . . . . ?
C8 B6 B7 B10 34.57(9) . . . . ?
C8 C7 B9 B4 -64.34(12) . . . . ?
C8 C7 B9 B8 -1.10(13) . . . . ?
C8 C7 B9 B10 38.00(9) . . . . ?
C8 C7 B9 B11 -103.10(10) . . . . ?
C8 C7 B10 B7 -37.30(9) . . . . ?
C8 C7 B10 B8 -99.47(10) . . . . ?
C8 C7 B10 B9 -138.07(10) . . . . ?
C8 C7 B11 B1 -38.05(9) . . . . ?
C8 C7 B11 B3 0.43(12) . . . . ?
C8 C7 B11 B4 63.67(12) . . . . ?
C8 C7 B11 B9 102.53(10) . . . . ?
C8 B7 B8 B4 62.39(12) . . . . ?
C8 B7 B8 B5 99.55(11) . . . . ?
C8 B7 B8 B9 -0.79(13) . . . . ?
C8 B7 B8 B10 -38.38(9) . . . . ?
C8 B7 B10 C7 37.76(9) . . . . ?
C8 B7 B10 B8 136.10(11) . . . . ?
C8 B7 B10 B9 98.95(10) . . . . ?
B8 B4 B5 B3 -137.42(10) . . . . ?
B8 B4 B5 B6 -100.18(11) . . . . ?
B8 B4 B5 B7 -37.13(9) . . . . ?
B8 B4 B9 C7 100.08(11) . . . . ?
B8 B4 B9 B10 37.93(10) . . . . ?
B8 B4 B9 B11 138.15(11) . . . . ?
B8 B4 B11 B1 62.79(12) . . . . ?
B8 B4 B11 B3 100.86(11) . . . . ?
B8 B4 B11 C7 1.17(13) . . . . ?
B8 B4 B11 B9 -37.15(10) . . . . ?
B8 B5 B6 B1 -63.06(13) . . . . ?
B8 B5 B6 B3 -100.98(11) . . . . ?
B8 B5 B6 B7 36.92(10) . . . . ?
B8 B5 B6 C8 -1.26(13) . . . . ?
B8 B5 B7 B6 -138.27(11) . . . . ?
B8 B5 B7 C8 -100.14(11) . . . . ?
B8 B5 B7 B10 -37.90(10) . . . . ?
B8 B7 C8 B1 -64.55(13) . . . . ?
B8 B7 C8 Si2 149.94(9) . . . . ?
B8 B7 C8 B6 -102.08(11) . . . . ?
B8 B7 C8 C7 0.12(13) . . . . ?
B8 B7 C8 B10 38.94(10) . . . . ?
B8 B7 B10 C7 -98.34(11) . . . . ?
B8 B7 B10 C8 -136.10(11) . . . . ?
B8 B7 B10 B9 -37.14(9) . . . . ?
B8 B9 B10 C7 135.72(10) . . . . ?
B8 B9 B10 B7 37.15(9) . . . . ?
B8 B9 B10 C8 98.76(11) . . . . ?
B8 B9 B11 B1 -63.47(12) . . . . ?
B8 B9 B11 B3 -0.09(13) . . . . ?
B8 B9 B11 B4 37.76(10) . . . . ?
B8 B9 B11 C7 -98.10(11) . . . . ?
C9 Si1 N2 B2 35.23(17) . . . . ?
C9 Si1 N2 N3 -136.53(9) . . . . ?
B9 B4 B5 B3 -100.45(11) . . . . ?
B9 B4 B5 B6 -63.21(13) . . . . ?
B9 B4 B5 B7 -0.16(13) . . . . ?
B9 B4 B5 B8 36.97(9) . . . . ?
B9 B4 B8 B5 -138.47(10) . . . . ?
B9 B4 B8 B7 -101.14(11) . . . . ?
B9 B4 B8 B10 -37.82(10) . . . . ?
B9 B4 B11 B1 99.94(11) . . . . ?
B9 B4 B11 B3 138.02(11) . . . . ?
B9 B4 B11 C7 38.33(9) . . . . ?
B9 C7 C8 B1 106.56(11) . . . . ?
B9 C7 C8 Si2 -146.91(9) . . . . ?
B9 C7 C8 B6 66.91(12) . . . . ?
B9 C7 C8 B7 0.63(13) . . . . ?
B9 C7 C8 B10 -39.04(10) . . . . ?
B9 C7 B10 B7 100.77(11) . . . . ?
B9 C7 B10 C8 138.07(10) . . . . ?
B9 C7 B10 B8 38.60(9) . . . . ?
B9 C7 B11 B1 -140.58(10) . . . . ?
B9 C7 B11 B3 -102.11(11) . . . . ?
B9 C7 B11 B4 -38.86(9) . . . . ?
B9 B8 B10 C7 -38.00(9) . . . . ?
B9 B8 B10 B7 -138.09(11) . . . . ?
B9 B8 B10 C8 -100.13(11) . . . . ?
B10 C7 C8 B1 145.60(10) . . . . ?
B10 C7 C8 Si2 -107.87(11) . . . . ?
B10 C7 C8 B6 105.95(10) . . . . ?
B10 C7 C8 B7 39.67(10) . . . . ?
B10 C7 B9 B4 -102.34(11) . . . . ?
B10 C7 B9 B8 -39.09(10) . . . . ?
B10 C7 B9 B11 -141.10(10) . . . . ?
B10 C7 B11 B1 -103.20(11) . . . . ?
B10 C7 B11 B3 -64.73(12) . . . . ?
B10 C7 B11 B4 -1.49(13) . . . . ?
B10 C7 B11 B9 37.38(10) . . . . ?
B10 B7 C8 B1 -103.49(11) . . . . ?
B10 B7 C8 Si2 111.00(10) . . . . ?
B10 B7 C8 B6 -141.02(11) . . . . ?
B10 B7 C8 C7 -38.82(9) . . . . ?
B10 B7 B8 B4 100.78(11) . . . . ?
B10 B7 B8 B5 137.93(11) . . . . ?
B10 B7 B8 B9 37.59(10) . . . . ?
B10 B8 B9 B4 137.72(10) . . . . ?
B10 B8 B9 C7 38.65(9) . . . . ?
B10 B8 B9 B11 100.21(11) . . . . ?
B10 B9 B11 B1 0.14(13) . . . . ?
B10 B9 B11 B3 63.52(12) . . . . ?
B10 B9 B11 B4 101.37(11) . . . . ?
B10 B9 B11 C7 -34.49(9) . . . . ?
C11 Si1 N2 B2 153.68(16) . . . . ?
C11 Si1 N2 N3 -18.08(11) . . . . ?
B11 B1 B3 B4 -37.88(10) . . . . ?
B11 B1 B3 B5 -100.70(11) . . . . ?
B11 B1 B3 B6 -138.21(10) . . . . ?
B11 B1 B6 B3 37.06(9) . . . . ?
B11 B1 B6 B5 -0.98(13) . . . . ?
B11 B1 B6 B7 -64.57(12) . . . . ?
B11 B1 B6 C8 -99.22(10) . . . . ?
B11 B1 C7 B2 -109.21(12) . . . . ?
B11 B1 C7 C8 138.04(10) . . . . ?
B11 B1 C7 B9 38.00(10) . . . . ?
B11 B1 C7 B10 106.28(11) . . . . ?
B11 B1 C8 Si2 -151.47(8) . . . . ?
B11 B1 C8 B6 100.79(11) . . . . ?
B11 B1 C8 C7 -36.40(9) . . . . ?
B11 B1 C8 B7 63.37(12) . . . . ?
B11 B1 C8 B10 -4.49(13) . . . . ?
B11 B3 B4 B5 -138.49(11) . . . . ?
B11 B3 B4 B8 -100.37(11) . . . . ?
B11 B3 B4 B9 -37.43(10) . . . . ?
B11 B3 B5 B4 36.92(10) . . . . ?
B11 B3 B5 B6 -101.25(11) . . . . ?
B11 B3 B5 B7 -63.91(13) . . . . ?
B11 B3 B5 B8 -1.19(14) . . . . ?
B11 B3 B6 B1 -37.60(9) . . . . ?
B11 B3 B6 B5 100.20(11) . . . . ?
B11 B3 B6 B7 62.39(12) . . . . ?
B11 B3 B6 C8 0.37(13) . . . . ?
B11 B4 B5 B3 -37.01(10) . . . . ?
B11 B4 B5 B6 0.23(14) . . . . ?
B11 B4 B5 B7 63.27(13) . . . . ?
B11 B4 B5 B8 100.41(11) . . . . ?
B11 B4 B8 B5 -101.16(11) . . . . ?
B11 B4 B8 B7 -63.82(13) . . . . ?
B11 B4 B8 B9 37.32(10) . . . . ?
B11 B4 B8 B10 -0.51(14) . . . . ?
B11 B4 B9 C7 -38.08(9) . . . . ?
B11 B4 B9 B8 -138.15(11) . . . . ?
B11 B4 B9 B10 -100.22(11) . . . . ?
B11 C7 C8 B1 39.45(9) . . . . ?
B11 C7 C8 Si2 145.97(9) . . . . ?
B11 C7 C8 B6 -0.20(13) . . . . ?
B11 C7 C8 B7 -66.49(12) . . . . ?
B11 C7 C8 B10 -106.15(11) . . . . ?
B11 C7 B9 B4 38.76(10) . . . . ?
B11 C7 B9 B8 102.00(11) . . . . ?
B11 C7 B9 B10 141.10(10) . . . . ?
B11 C7 B10 B7 63.34(13) . . . . ?
B11 C7 B10 C8 100.64(11) . . . . ?
B11 C7 B10 B8 1.16(13) . . . . ?
B11 C7 B10 B9 -37.43(10) . . . . ?
B11 B9 B10 C7 34.20(9) . . . . ?
B11 B9 B10 B7 -64.37(12) . . . . ?
B11 B9 B10 C8 -2.76(13) . . . . ?
B11 B9 B10 B8 -101.52(11) . . . . ?
C12 Si1 N2 B2 -87.29(17) . . . . ?
C12 Si1 N2 N3 100.96(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2278802'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2023-07-03 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
_audit_creation_date             2022-01-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H63 B22 N5 Si4'
_chemical_formula_sum            'C23 H63 B22 N5 Si4'
_chemical_formula_weight         759.96
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   18.6315(18)
_cell_length_b                   11.0376(10)
_cell_length_c                   22.7392(17)
_cell_angle_alpha                90
_cell_angle_beta                 108.033(3)
_cell_angle_gamma                90
_cell_volume                     4446.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6360
_cell_measurement_temperature    99.99
_cell_measurement_theta_max      26.889
_cell_measurement_theta_min      2.224
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.969
_exptl_absorpt_coefficient_mu    0.161
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1091 before and 0.0785 after correction. The Ratio of minimum to maximum transmission is 0.8868. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1041
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            49782
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.174
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5619
_reflns_number_total             7800
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         7800
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.076
_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)+(0.0662P)²+0.1373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1297
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
2.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C),
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C)
2.d Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11),
 B12(H12), B13(H13A), B14(H14A), B15(H15A), B16(H16A), B17(H17A), B18(H18),
 B19(H19), B20(H20), B21(H21), B22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Si1 Si 0.38231(4) 0.22048(6) 0.75958(3) 0.01868(17) Uani 1 1 d . . . . .
Si2 Si 0.47477(4) 0.13159(6) 0.67923(3) 0.01895(17) Uani 1 1 d . . . . .
Si3 Si 0.15505(4) 0.63727(6) 0.44710(3) 0.01740(17) Uani 1 1 d . . . . .
Si4 Si 0.31231(4) 0.71623(6) 0.44508(3) 0.01831(17) Uani 1 1 d . . . . .
N1 N 0.39293(11) 0.20480(17) 0.68478(8) 0.0162(4) Uani 1 1 d . . . . .
N2 N 0.33704(11) 0.32437(17) 0.58485(8) 0.0158(4) Uani 1 1 d . . . . .
N3 N 0.26586(11) 0.35448(17) 0.53777(8) 0.0153(4) Uani 1 1 d . . . . .
N4 N 0.26964(11) 0.36735(17) 0.47746(8) 0.0151(4) Uani 1 1 d . . . . .
N5 N 0.24878(11) 0.59866(17) 0.44964(8) 0.0153(4) Uani 1 1 d . . . . .
C1 C 0.24826(14) 0.1898(2) 0.60813(10) 0.0167(5) Uani 1 1 d . . . . .
C2 C 0.20978(14) 0.2698(2) 0.54561(10) 0.0155(5) Uani 1 1 d . . . . .
C3 C 0.30060(14) 0.4033(2) 0.39357(10) 0.0169(5) Uani 1 1 d . . . . .
C4 C 0.29608(14) 0.2847(2) 0.43490(10) 0.0156(5) Uani 1 1 d . . . . .
C5 C 0.34740(16) 0.0772(2) 0.78544(12) 0.0279(6) Uani 1 1 d . . . . .
H5A H 0.309580 0.039603 0.750253 0.042 Uiso 1 1 calc GR . . . .
H5B H 0.324592 0.095826 0.817869 0.042 Uiso 1 1 calc GR . . . .
H5C H 0.389772 0.021315 0.801750 0.042 Uiso 1 1 calc GR . . . .
C6 C 0.47433(15) 0.2589(2) 0.81856(11) 0.0263(6) Uani 1 1 d . . . . .
H6A H 0.511175 0.194932 0.819514 0.040 Uiso 1 1 calc GR . . . .
H6B H 0.467185 0.265608 0.859360 0.040 Uiso 1 1 calc GR . . . .
H6C H 0.492867 0.336149 0.807735 0.040 Uiso 1 1 calc GR . . . .
C7 C 0.31807(15) 0.3485(2) 0.76056(11) 0.0223(6) Uani 1 1 d . . . . .
H7A H 0.332222 0.419199 0.740531 0.033 Uiso 1 1 calc GR . . . .
H7B H 0.322106 0.368606 0.803447 0.033 Uiso 1 1 calc GR . . . .
H7C H 0.265982 0.325260 0.738237 0.033 Uiso 1 1 calc GR . . . .
C8 C 0.48950(17) -0.0125(2) 0.72332(11) 0.0296(6) Uani 1 1 d . . . . .
H8A H 0.494611 0.004367 0.766741 0.044 Uiso 1 1 calc GR . . . .
H8B H 0.535504 -0.051993 0.720637 0.044 Uiso 1 1 calc GR . . . .
H8C H 0.446177 -0.066113 0.705890 0.044 Uiso 1 1 calc GR . . . .
C9 C 0.56120(15) 0.2270(3) 0.70736(12) 0.0284(6) Uani 1 1 d . . . . .
H9A H 0.560591 0.289255 0.676501 0.043 Uiso 1 1 calc GR . . . .
H9B H 0.606056 0.175939 0.713973 0.043 Uiso 1 1 calc GR . . . .
H9C H 0.562401 0.265835 0.746399 0.043 Uiso 1 1 calc GR . . . .
C10 C 0.46235(15) 0.0930(2) 0.59744(11) 0.0260(6) Uani 1 1 d . . . . .
H10A H 0.418016 0.040747 0.581614 0.039 Uiso 1 1 calc GR . . . .
H10B H 0.507290 0.050358 0.594587 0.039 Uiso 1 1 calc GR . . . .
H10C H 0.455172 0.167465 0.572825 0.039 Uiso 1 1 calc GR . . . .
C11 C 0.39496(14) 0.4191(2) 0.59392(10) 0.0173(5) Uani 1 1 d . . . . .
H11A H 0.388939 0.458949 0.553671 0.021 Uiso 1 1 calc R . . . .
H11B H 0.445276 0.380095 0.607217 0.021 Uiso 1 1 calc R . . . .
C12 C 0.39299(14) 0.5155(2) 0.64078(10) 0.0177(5) Uani 1 1 d . . . . .
C13 C 0.45195(15) 0.5271(2) 0.69565(11) 0.0250(6) Uani 1 1 d . . . . .
H13 H 0.493562 0.472980 0.704456 0.030 Uiso 1 1 calc R . . . .
C14 C 0.45026(18) 0.6179(3) 0.73781(12) 0.0341(7) Uani 1 1 d . . . . .
H14 H 0.490584 0.625369 0.775347 0.041 Uiso 1 1 calc R . . . .
C15 C 0.39022(18) 0.6968(2) 0.72507(12) 0.0330(7) Uani 1 1 d . . . . .
H15 H 0.389022 0.758428 0.753912 0.040 Uiso 1 1 calc R . . . .
C16 C 0.33190(18) 0.6866(2) 0.67066(12) 0.0319(7) Uani 1 1 d . . . . .
H16 H 0.290683 0.741523 0.661893 0.038 Uiso 1 1 calc R . . . .
C17 C 0.33307(16) 0.5962(2) 0.62852(11) 0.0262(6) Uani 1 1 d . . . . .
H17 H 0.292589 0.589610 0.591047 0.031 Uiso 1 1 calc R . . . .
C18 C 0.14638(15) 0.6632(2) 0.52547(11) 0.0248(6) Uani 1 1 d . . . . .
H18A H 0.160103 0.589009 0.550069 0.037 Uiso 1 1 calc GR . . . .
H18B H 0.094200 0.685245 0.521750 0.037 Uiso 1 1 calc GR . . . .
H18C H 0.180262 0.729036 0.545879 0.037 Uiso 1 1 calc GR . . . .
C19 C 0.12302(16) 0.7751(2) 0.39874(11) 0.0254(6) Uani 1 1 d . . . . .
H19A H 0.159452 0.840766 0.414082 0.038 Uiso 1 1 calc GR . . . .
H19B H 0.073469 0.800122 0.401001 0.038 Uiso 1 1 calc GR . . . .
H19C H 0.119303 0.757041 0.355701 0.038 Uiso 1 1 calc GR . . . .
C20 C 0.08997(15) 0.5158(2) 0.40540(11) 0.0228(6) Uani 1 1 d . . . . .
H20A H 0.089506 0.513326 0.362202 0.034 Uiso 1 1 calc GR . . . .
H20B H 0.038917 0.532483 0.406930 0.034 Uiso 1 1 calc GR . . . .
H20C H 0.107177 0.437536 0.425080 0.034 Uiso 1 1 calc GR . . . .
C21 C 0.30889(16) 0.8376(2) 0.50074(11) 0.0247(6) Uani 1 1 d . . . . .
H21A H 0.256806 0.866061 0.491977 0.037 Uiso 1 1 calc GR . . . .
H21B H 0.341091 0.905225 0.496639 0.037 Uiso 1 1 calc GR . . . .
H21C H 0.326971 0.805547 0.542968 0.037 Uiso 1 1 calc GR . . . .
C22 C 0.41127(15) 0.6599(2) 0.47005(12) 0.0253(6) Uani 1 1 d . . . . .
H22A H 0.424057 0.628874 0.512429 0.038 Uiso 1 1 calc GR . . . .
H22B H 0.445501 0.726408 0.468548 0.038 Uiso 1 1 calc GR . . . .
H22C H 0.416372 0.594754 0.442341 0.038 Uiso 1 1 calc GR . . . .
C23 C 0.29000(17) 0.7748(2) 0.36494(11) 0.0287(6) Uani 1 1 d . . . . .
H23A H 0.290503 0.707722 0.336821 0.043 Uiso 1 1 calc GR . . . .
H23B H 0.327809 0.835145 0.363096 0.043 Uiso 1 1 calc GR . . . .
H23C H 0.239887 0.812379 0.352570 0.043 Uiso 1 1 calc GR . . . .
B1 B 0.33313(16) 0.2384(2) 0.63032(12) 0.0162(6) Uani 1 1 d . . . . .
B2 B 0.27008(15) 0.4783(2) 0.44357(11) 0.0162(6) Uani 1 1 d . . . . .
B3 B 0.22806(17) 0.1185(2) 0.53710(12) 0.0177(6) Uani 1 1 d . . . . .
H3 H 0.271543 0.082610 0.516916 0.021 Uiso 1 1 calc R . . . .
B4 B 0.18517(17) 0.3044(3) 0.61086(12) 0.0197(6) Uani 1 1 d . . . . .
H4 H 0.200600 0.389708 0.638573 0.024 Uiso 1 1 calc R . . . .
B5 B 0.18376(16) 0.1602(2) 0.64549(13) 0.0188(6) Uani 1 1 d . . . . .
H5 H 0.198388 0.150251 0.696869 0.023 Uiso 1 1 calc R . . . .
B6 B 0.20954(16) 0.0468(2) 0.60059(12) 0.0188(6) Uani 1 1 d . . . . .
H6 H 0.240597 -0.036889 0.622326 0.023 Uiso 1 1 calc R . . . .
B7 B 0.14413(16) 0.1908(2) 0.49077(12) 0.0179(6) Uani 1 1 d . . . . .
H7 H 0.132334 0.202605 0.439730 0.021 Uiso 1 1 calc R . . . .
B8 B 0.11727(17) 0.3034(3) 0.53647(12) 0.0193(6) Uani 1 1 d . . . . .
H8 H 0.087564 0.388329 0.515187 0.023 Uiso 1 1 calc R . . . .
B9 B 0.09867(17) 0.2302(3) 0.59999(12) 0.0206(6) Uani 1 1 d . . . . .
H9 H 0.055966 0.265928 0.621082 0.025 Uiso 1 1 calc R . . . .
B10 B 0.14062(17) 0.0462(3) 0.52564(12) 0.0205(6) Uani 1 1 d . . . . .
H10 H 0.125262 -0.038568 0.497459 0.025 Uiso 1 1 calc R . . . .
B11 B 0.07162(17) 0.1605(3) 0.52501(13) 0.0212(6) Uani 1 1 d . . . . .
H11 H 0.011039 0.150777 0.496381 0.025 Uiso 1 1 calc R . . . .
B12 B 0.11261(17) 0.0710(3) 0.59318(12) 0.0207(6) Uani 1 1 d . . . . .
H12 H 0.078797 0.002228 0.609482 0.025 Uiso 1 1 calc R . . . .
B13 B 0.38459(16) 0.3361(3) 0.43650(12) 0.0190(6) Uani 1 1 d . . . . .
H13A H 0.427256 0.378103 0.477419 0.023 Uiso 1 1 calc R . . . .
B14 B 0.22654(17) 0.3028(2) 0.36313(12) 0.0195(6) Uani 1 1 d . . . . .
H14A H 0.165472 0.322755 0.355942 0.023 Uiso 1 1 calc R . . . .
B15 B 0.27500(17) 0.3700(3) 0.31591(12) 0.0210(6) Uani 1 1 d . . . . .
H15A H 0.246081 0.434533 0.277978 0.025 Uiso 1 1 calc R . . . .
B16 B 0.37161(17) 0.3902(3) 0.36041(12) 0.0211(6) Uani 1 1 d . . . . .
H16A H 0.405093 0.468003 0.351012 0.025 Uiso 1 1 calc R . . . .
B17 B 0.36280(17) 0.1791(3) 0.43467(12) 0.0193(6) Uani 1 1 d . . . . .
H17A H 0.390441 0.117333 0.474273 0.023 Uiso 1 1 calc R . . . .
B18 B 0.26609(17) 0.1584(2) 0.38972(12) 0.0192(6) Uani 1 1 d . . . . .
H18 H 0.231313 0.083665 0.400234 0.023 Uiso 1 1 calc R . . . .
B19 B 0.25532(18) 0.2104(3) 0.31207(12) 0.0213(6) Uani 1 1 d . . . . .
H19 H 0.213804 0.167943 0.270644 0.026 Uiso 1 1 calc R . . . .
B20 B 0.41209(18) 0.2438(3) 0.38498(12) 0.0214(6) Uani 1 1 d . . . . .
H20 H 0.472911 0.223403 0.391320 0.026 Uiso 1 1 calc R . . . .
B21 B 0.33935(17) 0.1346(3) 0.35577(12) 0.0210(6) Uani 1 1 d . . . . .
H21 H 0.352842 0.041370 0.342876 0.025 Uiso 1 1 calc R . . . .
B22 B 0.34508(17) 0.2635(3) 0.31008(12) 0.0213(6) Uani 1 1 d . . . . .
H22 H 0.362261 0.255830 0.267183 0.026 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 1.7806(18) . ?
Si1 C5 1.872(3) . ?
Si1 C6 1.869(3) . ?
Si1 C7 1.856(3) . ?
Si2 N1 1.764(2) . ?
Si2 C8 1.855(3) . ?
Si2 C9 1.863(3) . ?
Si2 C10 1.851(2) . ?
Si3 N5 1.781(2) . ?
Si3 C18 1.861(2) . ?
Si3 C19 1.864(2) . ?
Si3 C20 1.859(2) . ?
Si4 N5 1.781(2) . ?
Si4 C21 1.858(2) . ?
Si4 C22 1.860(3) . ?
Si4 C23 1.855(2) . ?
N1 B1 1.435(3) . ?
N2 N3 1.462(3) . ?
N2 C11 1.471(3) . ?
N2 B1 1.422(3) . ?
N3 N4 1.402(2) . ?
N3 C2 1.453(3) . ?
N4 C4 1.519(3) . ?
N4 B2 1.448(3) . ?
N5 B2 1.405(3) . ?
C1 C2 1.639(3) . ?
C1 B1 1.597(4) . ?
C1 B3 1.730(3) . ?
C1 B4 1.741(4) . ?
C1 B5 1.704(4) . ?
C1 B6 1.722(3) . ?
C2 B3 1.727(3) . ?
C2 B4 1.726(3) . ?
C2 B7 1.694(3) . ?
C2 B8 1.711(4) . ?
C3 C4 1.628(3) . ?
C3 B2 1.644(3) . ?
C3 B13 1.734(4) . ?
C3 B14 1.738(4) . ?
C3 B15 1.720(3) . ?
C3 B16 1.720(4) . ?
C4 B13 1.734(4) . ?
C4 B14 1.753(3) . ?
C4 B17 1.705(4) . ?
C4 B18 1.719(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.514(3) . ?
C12 C13 1.390(3) . ?
C12 C17 1.387(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.394(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.376(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.375(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(3) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
B3 H3 1.1200 . ?
B3 B6 1.772(4) . ?
B3 B7 1.781(4) . ?
B3 B10 1.760(4) . ?
B4 H4 1.1200 . ?
B4 B5 1.779(4) . ?
B4 B8 1.771(4) . ?
B4 B9 1.756(4) . ?
B5 H5 1.1200 . ?
B5 B6 1.773(4) . ?
B5 B9 1.779(4) . ?
B5 B12 1.779(4) . ?
B6 H6 1.1200 . ?
B6 B10 1.788(4) . ?
B6 B12 1.781(4) . ?
B7 H7 1.1200 . ?
B7 B8 1.788(4) . ?
B7 B10 1.792(4) . ?
B7 B11 1.787(4) . ?
B8 H8 1.1200 . ?
B8 B9 1.780(4) . ?
B8 B11 1.772(4) . ?
B9 H9 1.1200 . ?
B9 B11 1.795(4) . ?
B9 B12 1.791(4) . ?
B10 H10 1.1200 . ?
B10 B11 1.798(4) . ?
B10 B12 1.789(4) . ?
B11 H11 1.1200 . ?
B11 B12 1.797(4) . ?
B12 H12 1.1200 . ?
B13 H13A 1.1200 . ?
B13 B16 1.775(4) . ?
B13 B17 1.777(4) . ?
B13 B20 1.745(4) . ?
B14 H14A 1.1200 . ?
B14 B15 1.766(4) . ?
B14 B18 1.781(4) . ?
B14 B19 1.750(4) . ?
B15 H15A 1.1200 . ?
B15 B16 1.785(4) . ?
B15 B19 1.796(4) . ?
B15 B22 1.792(4) . ?
B16 H16A 1.1200 . ?
B16 B20 1.798(4) . ?
B16 B22 1.778(4) . ?
B17 H17A 1.1200 . ?
B17 B18 1.790(4) . ?
B17 B20 1.809(4) . ?
B17 B21 1.779(4) . ?
B18 H18 1.1200 . ?
B18 B19 1.807(4) . ?
B18 B21 1.783(4) . ?
B19 H19 1.1200 . ?
B19 B21 1.782(4) . ?
B19 B22 1.786(4) . ?
B20 H20 1.1200 . ?
B20 B21 1.781(4) . ?
B20 B22 1.786(4) . ?
B21 H21 1.1200 . ?
B21 B22 1.784(4) . ?
B22 H22 1.1200 . ?

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 C5 111.73(10) . . ?
N1 Si1 C6 111.04(11) . . ?
N1 Si1 C7 110.38(10) . . ?
C6 Si1 C5 107.25(12) . . ?
C7 Si1 C5 110.55(12) . . ?
C7 Si1 C6 105.69(12) . . ?
N1 Si2 C8 109.91(11) . . ?
N1 Si2 C9 113.00(11) . . ?
N1 Si2 C10 109.58(11) . . ?
C8 Si2 C9 109.35(13) . . ?
C10 Si2 C8 107.30(12) . . ?
C10 Si2 C9 107.51(12) . . ?
N5 Si3 C18 112.37(11) . . ?
N5 Si3 C19 110.25(11) . . ?
N5 Si3 C20 108.79(11) . . ?
C18 Si3 C19 109.42(12) . . ?
C20 Si3 C18 111.30(12) . . ?
C20 Si3 C19 104.41(12) . . ?
N5 Si4 C21 108.80(10) . . ?
N5 Si4 C22 110.64(11) . . ?
N5 Si4 C23 111.10(11) . . ?
C21 Si4 C22 105.84(12) . . ?
C23 Si4 C21 111.93(12) . . ?
C23 Si4 C22 108.41(12) . . ?
Si2 N1 Si1 117.83(11) . . ?
B1 N1 Si1 120.87(16) . . ?
B1 N1 Si2 120.94(16) . . ?
N3 N2 C11 113.65(17) . . ?
B1 N2 N3 116.43(19) . . ?
B1 N2 C11 124.96(19) . . ?
N4 N3 N2 115.49(17) . . ?
N4 N3 C2 116.16(17) . . ?
C2 N3 N2 106.73(16) . . ?
N3 N4 C4 133.40(17) . . ?
N3 N4 B2 128.05(18) . . ?
B2 N4 C4 96.44(16) . . ?
Si4 N5 Si3 119.10(11) . . ?
B2 N5 Si3 121.79(17) . . ?
B2 N5 Si4 118.04(17) . . ?
C2 C1 B3 61.63(14) . . ?
C2 C1 B4 61.32(14) . . ?
C2 C1 B5 110.43(19) . . ?
C2 C1 B6 110.53(18) . . ?
B1 C1 C2 102.55(18) . . ?
B1 C1 B3 110.84(19) . . ?
B1 C1 B4 110.97(19) . . ?
B1 C1 B5 133.56(19) . . ?
B1 C1 B6 133.1(2) . . ?
B3 C1 B4 114.17(19) . . ?
B5 C1 B3 113.28(19) . . ?
B5 C1 B4 62.18(15) . . ?
B5 C1 B6 62.35(15) . . ?
B6 C1 B3 61.76(14) . . ?
B6 C1 B4 113.77(19) . . ?
N3 C2 C1 108.37(18) . . ?
N3 C2 B3 115.69(19) . . ?
N3 C2 B4 110.85(18) . . ?
N3 C2 B7 128.59(18) . . ?
N3 C2 B8 125.56(19) . . ?
C1 C2 B3 61.79(14) . . ?
C1 C2 B4 62.26(14) . . ?
C1 C2 B7 112.52(18) . . ?
C1 C2 B8 112.07(18) . . ?
B4 C2 B3 115.09(18) . . ?
B7 C2 B3 62.72(15) . . ?
B7 C2 B4 115.05(19) . . ?
B7 C2 B8 63.35(16) . . ?
B8 C2 B3 114.93(19) . . ?
B8 C2 B4 62.04(15) . . ?
C4 C3 B2 85.12(16) . . ?
C4 C3 B13 61.99(15) . . ?
C4 C3 B14 62.66(14) . . ?
C4 C3 B15 111.91(18) . . ?
C4 C3 B16 111.71(19) . . ?
B2 C3 B13 105.73(17) . . ?
B2 C3 B14 101.23(18) . . ?
B2 C3 B15 140.6(2) . . ?
B2 C3 B16 145.4(2) . . ?
B13 C3 B14 114.74(18) . . ?
B15 C3 B13 113.68(18) . . ?
B15 C3 B14 61.39(15) . . ?
B16 C3 B13 61.85(15) . . ?
B16 C3 B14 113.30(18) . . ?
B16 C3 B15 62.51(15) . . ?
N4 C4 C3 88.29(15) . . ?
N4 C4 B13 106.52(17) . . ?
N4 C4 B14 103.46(18) . . ?
N4 C4 B17 142.46(19) . . ?
N4 C4 B18 139.3(2) . . ?
C3 C4 B13 61.99(15) . . ?
C3 C4 B14 61.74(14) . . ?
C3 C4 B17 112.30(18) . . ?
C3 C4 B18 111.84(17) . . ?
B13 C4 B14 113.98(18) . . ?
B17 C4 B13 62.23(16) . . ?
B17 C4 B14 113.86(18) . . ?
B17 C4 B18 63.02(16) . . ?
B18 C4 B13 114.14(18) . . ?
B18 C4 B14 61.72(15) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 H11A 108.5 . . ?
N2 C11 H11B 108.5 . . ?
N2 C11 C12 114.95(18) . . ?
H11A C11 H11B 107.5 . . ?
C12 C11 H11A 108.5 . . ?
C12 C11 H11B 108.5 . . ?
C13 C12 C11 120.8(2) . . ?
C17 C12 C11 120.2(2) . . ?
C17 C12 C13 119.0(2) . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.3(3) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.1(2) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.4(3) . . ?
C12 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 B1 C1 127.9(2) . . ?
N2 B1 N1 126.8(2) . . ?
N2 B1 C1 105.3(2) . . ?
N4 B2 C3 90.13(18) . . ?
N5 B2 N4 134.3(2) . . ?
N5 B2 C3 135.5(2) . . ?
C1 B3 H3 124.6 . . ?
C1 B3 B6 58.90(14) . . ?
C1 B3 B7 104.26(18) . . ?
C1 B3 B10 105.56(19) . . ?
C2 B3 C1 56.58(13) . . ?
C2 B3 H3 125.5 . . ?
C2 B3 B6 104.25(18) . . ?
C2 B3 B7 57.72(14) . . ?
C2 B3 B10 104.5(2) . . ?
B6 B3 H3 121.6 . . ?
B6 B3 B7 109.0(2) . . ?
B7 B3 H3 122.0 . . ?
B10 B3 H3 122.2 . . ?
B10 B3 B6 60.85(15) . . ?
B10 B3 B7 60.81(16) . . ?
C1 B4 H4 124.9 . . ?
C1 B4 B5 57.89(14) . . ?
C1 B4 B8 104.58(18) . . ?
C1 B4 B9 104.88(19) . . ?
C2 B4 C1 56.42(13) . . ?
C2 B4 H4 125.4 . . ?
C2 B4 B5 103.13(18) . . ?
C2 B4 B8 58.58(14) . . ?
C2 B4 B9 104.63(19) . . ?
B5 B4 H4 122.6 . . ?
B8 B4 H4 121.7 . . ?
B8 B4 B5 108.2(2) . . ?
B9 B4 H4 122.4 . . ?
B9 B4 B5 60.44(16) . . ?
B9 B4 B8 60.62(16) . . ?
C1 B5 B4 59.92(14) . . ?
C1 B5 H5 123.9 . . ?
C1 B5 B6 59.32(14) . . ?
C1 B5 B9 105.42(18) . . ?
C1 B5 B12 105.50(18) . . ?
B4 B5 H5 121.2 . . ?
B4 B5 B12 108.0(2) . . ?
B6 B5 B4 109.45(18) . . ?
B6 B5 H5 120.6 . . ?
B6 B5 B9 108.87(19) . . ?
B6 B5 B12 60.18(16) . . ?
B9 B5 B4 59.12(16) . . ?
B9 B5 H5 122.3 . . ?
B9 B5 B12 60.43(16) . . ?
B12 B5 H5 122.2 . . ?
C1 B6 B3 59.34(14) . . ?
C1 B6 B5 58.33(14) . . ?
C1 B6 H6 124.6 . . ?
C1 B6 B10 104.67(18) . . ?
C1 B6 B12 104.66(19) . . ?
B3 B6 B5 108.00(19) . . ?
B3 B6 H6 121.6 . . ?
B3 B6 B10 59.24(15) . . ?
B3 B6 B12 107.7(2) . . ?
B5 B6 H6 121.5 . . ?
B5 B6 B10 108.0(2) . . ?
B5 B6 B12 60.08(16) . . ?
B10 B6 H6 122.6 . . ?
B12 B6 H6 122.4 . . ?
B12 B6 B10 60.17(16) . . ?
C2 B7 B3 59.56(15) . . ?
C2 B7 H7 124.6 . . ?
C2 B7 B8 58.80(15) . . ?
C2 B7 B10 104.48(18) . . ?
C2 B7 B11 104.26(18) . . ?
B3 B7 H7 121.3 . . ?
B3 B7 B8 108.65(19) . . ?
B3 B7 B10 59.02(15) . . ?
B3 B7 B11 107.61(19) . . ?
B8 B7 H7 121.4 . . ?
B8 B7 B10 107.85(18) . . ?
B10 B7 H7 122.7 . . ?
B11 B7 H7 122.7 . . ?
B11 B7 B8 59.42(15) . . ?
B11 B7 B10 60.33(16) . . ?
C2 B8 B4 59.38(15) . . ?
C2 B8 B7 57.85(14) . . ?
C2 B8 H8 125.3 . . ?
C2 B8 B9 104.19(19) . . ?
C2 B8 B11 104.19(19) . . ?
B4 B8 B7 108.3(2) . . ?
B4 B8 H8 121.2 . . ?
B4 B8 B9 59.26(15) . . ?
B4 B8 B11 108.34(19) . . ?
B7 B8 H8 121.4 . . ?
B9 B8 B7 108.44(19) . . ?
B9 B8 H8 122.4 . . ?
B11 B8 B7 60.27(15) . . ?
B11 B8 H8 122.1 . . ?
B11 B8 B9 60.71(15) . . ?
B4 B9 B5 60.44(16) . . ?
B4 B9 B8 60.13(16) . . ?
B4 B9 H9 121.2 . . ?
B4 B9 B11 108.01(19) . . ?
B4 B9 B12 108.6(2) . . ?
B5 B9 B8 107.8(2) . . ?
B5 B9 H9 121.8 . . ?
B5 B9 B11 107.68(19) . . ?
B5 B9 B12 59.79(16) . . ?
B8 B9 H9 122.0 . . ?
B8 B9 B11 59.42(15) . . ?
B8 B9 B12 107.76(19) . . ?
B11 B9 H9 122.0 . . ?
B12 B9 H9 121.6 . . ?
B12 B9 B11 60.17(15) . . ?
B3 B10 B6 59.91(15) . . ?
B3 B10 B7 60.17(15) . . ?
B3 B10 H10 121.6 . . ?
B3 B10 B11 108.0(2) . . ?
B3 B10 B12 107.83(19) . . ?
B6 B10 B7 107.75(19) . . ?
B6 B10 H10 121.9 . . ?
B6 B10 B11 107.81(19) . . ?
B6 B10 B12 59.72(15) . . ?
B7 B10 H10 121.9 . . ?
B7 B10 B11 59.70(15) . . ?
B11 B10 H10 121.7 . . ?
B12 B10 B7 107.71(19) . . ?
B12 B10 H10 121.9 . . ?
B12 B10 B11 60.13(15) . . ?
B7 B11 B9 107.8(2) . . ?
B7 B11 B10 59.97(16) . . ?
B7 B11 H11 121.8 . . ?
B7 B11 B12 107.6(2) . . ?
B8 B11 B7 60.32(15) . . ?
B8 B11 B9 59.87(15) . . ?
B8 B11 B10 108.3(2) . . ?
B8 B11 H11 121.5 . . ?
B8 B11 B12 107.8(2) . . ?
B9 B11 B10 107.7(2) . . ?
B9 B11 H11 122.0 . . ?
B9 B11 B12 59.81(15) . . ?
B10 B11 H11 121.8 . . ?
B12 B11 B10 59.68(15) . . ?
B12 B11 H11 122.1 . . ?
B5 B12 B6 59.74(16) . . ?
B5 B12 B9 59.78(16) . . ?
B5 B12 B10 107.7(2) . . ?
B5 B12 B11 107.56(19) . . ?
B5 B12 H12 122.2 . . ?
B6 B12 B9 108.0(2) . . ?
B6 B12 B10 60.11(15) . . ?
B6 B12 B11 108.16(19) . . ?
B6 B12 H12 121.7 . . ?
B9 B12 B11 60.02(15) . . ?
B9 B12 H12 121.7 . . ?
B10 B12 B9 108.23(19) . . ?
B10 B12 B11 60.18(15) . . ?
B10 B12 H12 121.6 . . ?
B11 B12 H12 121.7 . . ?
C3 B13 C4 56.02(14) . . ?
C3 B13 H13A 125.1 . . ?
C3 B13 B16 58.69(15) . . ?
C3 B13 B17 104.11(19) . . ?
C3 B13 B20 105.85(19) . . ?
C4 B13 H13A 125.4 . . ?
C4 B13 B16 104.36(19) . . ?
C4 B13 B17 58.10(15) . . ?
C4 B13 B20 105.7(2) . . ?
B16 B13 H13A 121.2 . . ?
B16 B13 B17 110.12(19) . . ?
B17 B13 H13A 121.4 . . ?
B20 B13 H13A 121.3 . . ?
B20 B13 B16 61.42(15) . . ?
B20 B13 B17 61.80(16) . . ?
C3 B14 C4 55.60(13) . . ?
C3 B14 H14A 125.3 . . ?
C3 B14 B15 58.81(14) . . ?
C3 B14 B18 103.97(19) . . ?
C3 B14 B19 105.5(2) . . ?
C4 B14 H14A 125.7 . . ?
C4 B14 B15 104.1(2) . . ?
C4 B14 B18 58.20(14) . . ?
B15 B14 H14A 121.1 . . ?
B15 B14 B18 110.3(2) . . ?
B18 B14 H14A 121.3 . . ?
B19 B14 C4 105.1(2) . . ?
B19 B14 H14A 121.6 . . ?
B19 B14 B15 61.43(16) . . ?
B19 B14 B18 61.57(15) . . ?
C3 B15 B14 59.80(14) . . ?
C3 B15 H15A 124.7 . . ?
C3 B15 B16 58.72(15) . . ?
C3 B15 B19 104.31(18) . . ?
C3 B15 B22 103.85(19) . . ?
B14 B15 H15A 121.4 . . ?
B14 B15 B16 108.88(19) . . ?
B14 B15 B19 58.85(15) . . ?
B14 B15 B22 106.9(2) . . ?
B16 B15 H15A 121.1 . . ?
B16 B15 B19 107.8(2) . . ?
B16 B15 B22 59.61(16) . . ?
B19 B15 H15A 123.0 . . ?
B22 B15 H15A 123.2 . . ?
B22 B15 B19 59.70(16) . . ?
C3 B16 B13 59.46(14) . . ?
C3 B16 B15 58.76(15) . . ?
C3 B16 H16A 124.7 . . ?
C3 B16 B20 104.17(19) . . ?
C3 B16 B22 104.5(2) . . ?
B13 B16 B15 108.6(2) . . ?
B13 B16 H16A 121.9 . . ?
B13 B16 B20 58.47(15) . . ?
B13 B16 B22 106.8(2) . . ?
B15 B16 H16A 120.8 . . ?
B15 B16 B20 108.4(2) . . ?
B20 B16 H16A 122.9 . . ?
B22 B16 B15 60.39(16) . . ?
B22 B16 H16A 122.7 . . ?
B22 B16 B20 59.93(15) . . ?
C4 B17 B13 59.67(15) . . ?
C4 B17 H17A 124.6 . . ?
C4 B17 B18 58.87(15) . . ?
C4 B17 B20 104.10(19) . . ?
C4 B17 B21 103.89(19) . . ?
B13 B17 H17A 122.0 . . ?
B13 B17 B18 108.7(2) . . ?
B13 B17 B20 58.22(15) . . ?
B13 B17 B21 106.01(19) . . ?
B18 B17 H17A 120.8 . . ?
B18 B17 B20 108.04(19) . . ?
B20 B17 H17A 123.1 . . ?
B21 B17 H17A 123.4 . . ?
B21 B17 B18 59.96(15) . . ?
B21 B17 B20 59.52(15) . . ?
C4 B18 B14 60.08(14) . . ?
C4 B18 B17 58.11(15) . . ?
C4 B18 H18 124.9 . . ?
C4 B18 B19 104.11(18) . . ?
C4 B18 B21 103.1(2) . . ?
B14 B18 B17 108.5(2) . . ?
B14 B18 H18 121.7 . . ?
B14 B18 B19 58.36(15) . . ?
B14 B18 B21 106.06(19) . . ?
B17 B18 H18 121.3 . . ?
B17 B18 B19 107.8(2) . . ?
B19 B18 H18 123.1 . . ?
B21 B18 B17 59.73(16) . . ?
B21 B18 H18 123.7 . . ?
B21 B18 B19 59.49(15) . . ?
B14 B19 B15 59.72(15) . . ?
B14 B19 B18 60.07(15) . . ?
B14 B19 H19 121.9 . . ?
B14 B19 B21 107.49(19) . . ?
B14 B19 B22 107.9(2) . . ?
B15 B19 B18 107.73(18) . . ?
B15 B19 H19 121.9 . . ?
B18 B19 H19 121.9 . . ?
B21 B19 B15 107.6(2) . . ?
B21 B19 B18 59.58(15) . . ?
B21 B19 H19 122.1 . . ?
B21 B19 B22 59.99(16) . . ?
B22 B19 B15 60.06(16) . . ?
B22 B19 B18 107.9(2) . . ?
B22 B19 H19 121.6 . . ?
B13 B20 B16 60.10(15) . . ?
B13 B20 B17 59.98(15) . . ?
B13 B20 H20 121.8 . . ?
B13 B20 B21 107.3(2) . . ?
B13 B20 B22 107.8(2) . . ?
B16 B20 B17 107.7(2) . . ?
B16 B20 H20 122.1 . . ?
B17 B20 H20 122.0 . . ?
B21 B20 B16 107.1(2) . . ?
B21 B20 B17 59.41(15) . . ?
B21 B20 H20 122.3 . . ?
B21 B20 B22 60.00(16) . . ?
B22 B20 B16 59.49(15) . . ?
B22 B20 B17 107.7(2) . . ?
B22 B20 H20 121.9 . . ?
B17 B21 B18 60.31(15) . . ?
B17 B21 B19 109.38(19) . . ?
B17 B21 B20 61.07(15) . . ?
B17 B21 H21 120.8 . . ?
B17 B21 B22 109.1(2) . . ?
B18 B21 H21 120.8 . . ?
B18 B21 B22 109.1(2) . . ?
B19 B21 B18 60.93(15) . . ?
B19 B21 H21 121.0 . . ?
B19 B21 B22 60.11(16) . . ?
B20 B21 B18 109.56(19) . . ?
B20 B21 B19 109.0(2) . . ?
B20 B21 H21 120.9 . . ?
B20 B21 B22 60.13(16) . . ?
B22 B21 H21 121.4 . . ?
B15 B22 H22 121.7 . . ?
B16 B22 B15 59.99(16) . . ?
B16 B22 B19 108.52(19) . . ?
B16 B22 B20 60.58(16) . . ?
B16 B22 B21 107.90(18) . . ?
B16 B22 H22 121.5 . . ?
B19 B22 B15 60.25(16) . . ?
B19 B22 B20 108.65(19) . . ?
B19 B22 H22 121.3 . . ?
B20 B22 B15 108.62(19) . . ?
B20 B22 H22 121.2 . . ?
B21 B22 B15 107.67(19) . . ?
B21 B22 B19 59.90(16) . . ?
B21 B22 B20 59.87(16) . . ?
B21 B22 H22 122.2 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2278803'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2023-07-03 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
_audit_creation_date             2022-01-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H37 B11 N2 Si3'
_chemical_formula_sum            'C11 H37 B11 N2 Si3'
_chemical_formula_weight         400.60
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   9.9271(3)
_cell_length_b                   24.7750(6)
_cell_length_c                   10.7243(3)
_cell_angle_alpha                90
_cell_angle_beta                 109.3940(10)
_cell_angle_gamma                90
_cell_volume                     2487.91(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    99.99
_cell_measurement_theta_max      24.736
_cell_measurement_theta_min      2.727
_shelx_estimated_absorpt_T_max   0.927
_shelx_estimated_absorpt_T_min   0.927
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1196 before and 0.0643 after correction. The Ratio of minimum to maximum transmission is 0.9219. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.070
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            41430
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.759
_diffrn_reflns_theta_max         24.759
_diffrn_reflns_theta_min         2.325
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3856
_reflns_number_total             4255
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4255
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0316
_refine_ls_restrained_S_all      1.049
_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)+(0.0378P)²+1.5971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0854
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10B,H10A,H10C), C11(H11A,H11B,
 H11C)
2.b Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10),
 B11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Si1 Si 0.82121(4) 0.40107(2) 0.50242(4) 0.01278(11) Uani 1 1 d . . . . .
Si2 Si 0.95805(4) 0.34744(2) 0.91866(4) 0.01445(12) Uani 1 1 d . . . . .
Si3 Si 0.73189(5) 0.42579(2) 0.95802(4) 0.01771(12) Uani 1 1 d . . . . .
N1 N 0.71866(12) 0.37410(5) 0.59393(12) 0.0122(3) Uani 1 1 d . . . . .
N2 N 0.80077(13) 0.38724(5) 0.85308(12) 0.0130(3) Uani 1 1 d . . . . .
C1 C 0.53190(15) 0.36376(6) 0.66706(14) 0.0132(3) Uani 1 1 d . . . . .
C2 C 0.57123(15) 0.35581(6) 0.53310(15) 0.0137(3) Uani 1 1 d . . . . .
C3 C 0.84542(17) 0.34683(6) 0.39216(16) 0.0203(3) Uani 1 1 d . . . . .
H3A H 0.885540 0.314748 0.444871 0.030 Uiso 1 1 calc GR . . . .
H3B H 0.910662 0.359334 0.346867 0.030 Uiso 1 1 calc GR . . . .
H3C H 0.752818 0.337792 0.326584 0.030 Uiso 1 1 calc GR . . . .
C4 C 0.72534(17) 0.45936(6) 0.40191(17) 0.0215(4) Uani 1 1 d . . . . .
H4A H 0.633262 0.447178 0.340507 0.032 Uiso 1 1 calc GR . . . .
H4B H 0.783017 0.474430 0.351798 0.032 Uiso 1 1 calc GR . . . .
H4C H 0.709309 0.487123 0.460544 0.032 Uiso 1 1 calc GR . . . .
C5 C 0.99012(16) 0.42730(7) 0.62114(16) 0.0205(3) Uani 1 1 d . . . . .
H5A H 0.968462 0.452003 0.683297 0.031 Uiso 1 1 calc GR . . . .
H5B H 1.043552 0.446622 0.572905 0.031 Uiso 1 1 calc GR . . . .
H5C H 1.047635 0.397127 0.669980 0.031 Uiso 1 1 calc GR . . . .
C6 C 0.97844(17) 0.29871(6) 0.79412(16) 0.0189(3) Uani 1 1 d . . . . .
H6A H 0.894696 0.275031 0.765107 0.028 Uiso 1 1 calc GR . . . .
H6B H 1.064493 0.276931 0.833700 0.028 Uiso 1 1 calc GR . . . .
H6C H 0.986867 0.318517 0.717946 0.028 Uiso 1 1 calc GR . . . .
C7 C 1.12379(17) 0.38900(7) 0.98219(17) 0.0244(4) Uani 1 1 d . . . . .
H7A H 1.122881 0.417086 0.917562 0.037 Uiso 1 1 calc GR . . . .
H7B H 1.207589 0.365842 0.996355 0.037 Uiso 1 1 calc GR . . . .
H7C H 1.127890 0.405895 1.066005 0.037 Uiso 1 1 calc GR . . . .
C8 C 0.93609(18) 0.30600(7) 1.05570(16) 0.0231(4) Uani 1 1 d . . . . .
H8A H 0.933029 0.329765 1.127767 0.035 Uiso 1 1 calc GR . . . .
H8B H 1.016779 0.281037 1.088325 0.035 Uiso 1 1 calc GR . . . .
H8C H 0.846921 0.285417 1.023075 0.035 Uiso 1 1 calc GR . . . .
C9 C 0.88174(19) 0.45248(7) 1.10117(16) 0.0242(4) Uani 1 1 d . . . . .
H9A H 0.933307 0.422299 1.155267 0.036 Uiso 1 1 calc GR . . . .
H9B H 0.843289 0.475926 1.154840 0.036 Uiso 1 1 calc GR . . . .
H9C H 0.947218 0.473205 1.068490 0.036 Uiso 1 1 calc GR . . . .
C10 C 0.60816(19) 0.38515(8) 1.01859(18) 0.0285(4) Uani 1 1 d . . . . .
H10B H 0.577425 0.406725 1.080882 0.043 Uiso 1 1 calc GR . . . .
H10A H 0.657486 0.352673 1.063194 0.043 Uiso 1 1 calc GR . . . .
H10C H 0.524527 0.374687 0.943557 0.043 Uiso 1 1 calc GR . . . .
C11 C 0.6348(2) 0.48493(7) 0.86205(18) 0.0289(4) Uani 1 1 d . . . . .
H11A H 0.696801 0.503852 0.821888 0.043 Uiso 1 1 calc GR . . . .
H11B H 0.607925 0.509563 0.921346 0.043 Uiso 1 1 calc GR . . . .
H11C H 0.548571 0.472468 0.792473 0.043 Uiso 1 1 calc GR . . . .
B1 B 0.70553(17) 0.37900(6) 0.72469(17) 0.0123(3) Uani 1 1 d . . . . .
B2 B 0.55120(19) 0.29796(7) 0.61857(18) 0.0180(4) Uani 1 1 d . . . . .
H2 H 0.638238 0.269475 0.673621 0.022 Uiso 1 1 calc R . . . .
B3 B 0.45828(18) 0.40837(7) 0.53695(17) 0.0162(4) Uani 1 1 d . . . . .
H3 H 0.484115 0.452412 0.538256 0.019 Uiso 1 1 calc R . . . .
B4 B 0.35648(18) 0.38251(7) 0.63103(19) 0.0188(4) Uani 1 1 d . . . . .
H4 H 0.315968 0.409281 0.694936 0.023 Uiso 1 1 calc R . . . .
B5 B 0.41308(18) 0.31530(7) 0.68037(19) 0.0203(4) Uani 1 1 d . . . . .
H5 H 0.408954 0.298802 0.776265 0.024 Uiso 1 1 calc R . . . .
B6 B 0.4907(2) 0.30086(8) 0.44371(19) 0.0223(4) Uani 1 1 d . . . . .
H6 H 0.538488 0.274836 0.383853 0.027 Uiso 1 1 calc R . . . .
B7 B 0.43212(19) 0.36853(8) 0.39272(18) 0.0214(4) Uani 1 1 d . . . . .
H7 H 0.441234 0.386053 0.299577 0.026 Uiso 1 1 calc R . . . .
B8 B 0.28690(19) 0.38410(8) 0.4533(2) 0.0235(4) Uani 1 1 d . . . . .
H8 H 0.197375 0.411661 0.398532 0.028 Uiso 1 1 calc R . . . .
B9 B 0.3800(2) 0.27467(8) 0.5343(2) 0.0247(4) Uani 1 1 d . . . . .
H9 H 0.351446 0.230867 0.532310 0.030 Uiso 1 1 calc R . . . .
B10 B 0.3056(2) 0.31770(8) 0.3946(2) 0.0267(4) Uani 1 1 d . . . . .
H10 H 0.228267 0.301783 0.300118 0.032 Uiso 1 1 calc R . . . .
B11 B 0.25752(19) 0.32634(8) 0.5403(2) 0.0244(4) Uani 1 1 d . . . . .
H11 H 0.148244 0.316175 0.542044 0.029 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 1.7634(13) . ?
Si1 C3 1.8576(16) . ?
Si1 C4 1.8632(16) . ?
Si1 C5 1.8539(16) . ?
Si2 N2 1.7820(12) . ?
Si2 C6 1.8605(16) . ?
Si2 C7 1.8675(17) . ?
Si2 C8 1.8639(17) . ?
Si3 N2 1.7769(12) . ?
Si3 C9 1.8682(17) . ?
Si3 C10 1.8639(18) . ?
Si3 C11 1.8646(17) . ?
N1 C2 1.4625(18) . ?
N1 B1 1.456(2) . ?
N2 B1 1.402(2) . ?
C1 C2 1.621(2) . ?
C1 B1 1.670(2) . ?
C1 B2 1.741(2) . ?
C1 B3 1.739(2) . ?
C1 B4 1.718(2) . ?
C1 B5 1.722(2) . ?
C2 B2 1.748(2) . ?
C2 B3 1.728(2) . ?
C2 B6 1.704(2) . ?
C2 B7 1.701(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
B2 H2 1.1200 . ?
B2 B5 1.763(2) . ?
B2 B6 1.770(3) . ?
B2 B9 1.737(2) . ?
B3 H3 1.1200 . ?
B3 B4 1.768(2) . ?
B3 B7 1.780(3) . ?
B3 B8 1.746(2) . ?
B4 H4 1.1200 . ?
B4 B5 1.781(2) . ?
B4 B8 1.799(3) . ?
B4 B11 1.793(3) . ?
B5 H5 1.1200 . ?
B5 B9 1.798(3) . ?
B5 B11 1.782(3) . ?
B6 H6 1.1200 . ?
B6 B7 1.799(3) . ?
B6 B9 1.812(3) . ?
B6 B10 1.785(3) . ?
B7 H7 1.1200 . ?
B7 B8 1.809(3) . ?
B7 B10 1.784(3) . ?
B8 H8 1.1200 . ?
B8 B10 1.793(3) . ?
B8 B11 1.784(3) . ?
B9 H9 1.1200 . ?
B9 B10 1.787(3) . ?
B9 B11 1.781(3) . ?
B10 H10 1.1200 . ?
B10 B11 1.792(3) . ?
B11 H11 1.1200 . ?

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 C3 107.50(7) . . ?
N1 Si1 C4 109.72(7) . . ?
N1 Si1 C5 107.95(7) . . ?
C3 Si1 C4 109.98(8) . . ?
C5 Si1 C3 114.33(7) . . ?
C5 Si1 C4 107.31(8) . . ?
N2 Si2 C6 111.45(6) . . ?
N2 Si2 C7 112.91(7) . . ?
N2 Si2 C8 107.42(7) . . ?
C6 Si2 C7 109.09(8) . . ?
C6 Si2 C8 106.13(8) . . ?
C8 Si2 C7 109.61(8) . . ?
N2 Si3 C9 109.99(7) . . ?
N2 Si3 C10 111.54(7) . . ?
N2 Si3 C11 108.06(7) . . ?
C10 Si3 C9 109.99(8) . . ?
C10 Si3 C11 109.70(9) . . ?
C11 Si3 C9 107.46(8) . . ?
C2 N1 Si1 123.11(10) . . ?
B1 N1 Si1 139.22(10) . . ?
B1 N1 C2 93.39(11) . . ?
Si3 N2 Si2 121.23(7) . . ?
B1 N2 Si2 121.58(10) . . ?
B1 N2 Si3 115.11(10) . . ?
C2 C1 B1 80.37(10) . . ?
C2 C1 B2 62.53(9) . . ?
C2 C1 B3 61.76(9) . . ?
C2 C1 B4 110.98(12) . . ?
C2 C1 B5 111.22(12) . . ?
B1 C1 B2 96.88(11) . . ?
B1 C1 B3 105.09(11) . . ?
B1 C1 B4 150.10(13) . . ?
B1 C1 B5 141.11(12) . . ?
B3 C1 B2 114.45(12) . . ?
B4 C1 B2 112.95(12) . . ?
B4 C1 B3 61.52(9) . . ?
B4 C1 B5 62.35(10) . . ?
B5 C1 B2 61.20(10) . . ?
B5 C1 B3 113.12(12) . . ?
N1 C2 C1 93.84(11) . . ?
N1 C2 B2 106.94(11) . . ?
N1 C2 B3 108.49(11) . . ?
N1 C2 B6 135.35(13) . . ?
N1 C2 B7 137.37(13) . . ?
C1 C2 B2 62.10(9) . . ?
C1 C2 B3 62.49(9) . . ?
C1 C2 B6 112.94(12) . . ?
C1 C2 B7 113.47(12) . . ?
B3 C2 B2 114.69(12) . . ?
B6 C2 B2 61.71(10) . . ?
B6 C2 B3 115.40(12) . . ?
B7 C2 B2 114.58(12) . . ?
B7 C2 B3 62.54(10) . . ?
B7 C2 B6 63.81(10) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10B C10 H10A 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 B1 C1 92.07(11) . . ?
N2 B1 N1 135.32(14) . . ?
N2 B1 C1 132.28(13) . . ?
C1 B2 C2 55.37(8) . . ?
C1 B2 H2 125.1 . . ?
C1 B2 B5 58.87(9) . . ?
C1 B2 B6 104.25(12) . . ?
C2 B2 H2 126.2 . . ?
C2 B2 B5 103.62(12) . . ?
C2 B2 B6 57.92(9) . . ?
B5 B2 H2 121.0 . . ?
B5 B2 B6 110.85(13) . . ?
B6 B2 H2 121.0 . . ?
B9 B2 C1 106.31(12) . . ?
B9 B2 C2 105.17(12) . . ?
B9 B2 H2 121.0 . . ?
B9 B2 B5 61.82(11) . . ?
B9 B2 B6 62.20(11) . . ?
C1 B3 H3 125.1 . . ?
C1 B3 B4 58.64(9) . . ?
C1 B3 B7 104.25(12) . . ?
C1 B3 B8 105.76(12) . . ?
C2 B3 C1 55.75(9) . . ?
C2 B3 H3 125.9 . . ?
C2 B3 B4 103.83(12) . . ?
C2 B3 B7 57.98(9) . . ?
C2 B3 B8 104.93(12) . . ?
B4 B3 H3 121.2 . . ?
B4 B3 B7 110.42(13) . . ?
B7 B3 H3 121.2 . . ?
B8 B3 H3 121.5 . . ?
B8 B3 B4 61.59(11) . . ?
B8 B3 B7 61.73(11) . . ?
C1 B4 B3 59.84(9) . . ?
C1 B4 H4 124.5 . . ?
C1 B4 B5 58.94(9) . . ?
C1 B4 B8 104.37(12) . . ?
C1 B4 B11 104.12(12) . . ?
B3 B4 H4 121.6 . . ?
B3 B4 B5 108.94(12) . . ?
B3 B4 B8 58.58(10) . . ?
B3 B4 B11 106.58(13) . . ?
B5 B4 H4 120.9 . . ?
B5 B4 B8 107.91(14) . . ?
B5 B4 B11 59.83(10) . . ?
B8 B4 H4 123.1 . . ?
B11 B4 H4 123.3 . . ?
B11 B4 B8 59.56(11) . . ?
C1 B5 B2 59.93(9) . . ?
C1 B5 B4 58.71(9) . . ?
C1 B5 H5 124.4 . . ?
C1 B5 B9 104.48(12) . . ?
C1 B5 B11 104.40(12) . . ?
B2 B5 B4 108.92(12) . . ?
B2 B5 H5 121.8 . . ?
B2 B5 B9 58.38(10) . . ?
B2 B5 B11 106.55(14) . . ?
B4 B5 H5 120.7 . . ?
B4 B5 B9 108.45(13) . . ?
B4 B5 B11 60.42(10) . . ?
B9 B5 H5 122.9 . . ?
B11 B5 H5 123.0 . . ?
B11 B5 B9 59.68(11) . . ?
C2 B6 B2 60.37(9) . . ?
C2 B6 H6 125.0 . . ?
C2 B6 B7 58.01(9) . . ?
C2 B6 B9 103.83(13) . . ?
C2 B6 B10 102.94(13) . . ?
B2 B6 H6 121.6 . . ?
B2 B6 B7 108.74(13) . . ?
B2 B6 B9 57.99(10) . . ?
B2 B6 B10 106.01(14) . . ?
B7 B6 H6 121.2 . . ?
B7 B6 B9 107.71(13) . . ?
B9 B6 H6 123.3 . . ?
B10 B6 H6 123.8 . . ?
B10 B6 B7 59.68(11) . . ?
B10 B6 B9 59.57(11) . . ?
C2 B7 B3 59.48(9) . . ?
C2 B7 B6 58.18(9) . . ?
C2 B7 H7 125.4 . . ?
C2 B7 B8 103.37(13) . . ?
C2 B7 B10 103.13(13) . . ?
B3 B7 B6 108.27(13) . . ?
B3 B7 H7 121.9 . . ?
B3 B7 B8 58.21(10) . . ?
B3 B7 B10 106.38(13) . . ?
B6 B7 H7 121.2 . . ?
B6 B7 B8 107.79(13) . . ?
B8 B7 H7 123.2 . . ?
B10 B7 B6 59.77(11) . . ?
B10 B7 H7 123.3 . . ?
B10 B7 B8 59.88(11) . . ?
B3 B8 B4 59.82(10) . . ?
B3 B8 B7 60.06(10) . . ?
B3 B8 H8 121.9 . . ?
B3 B8 B10 107.43(13) . . ?
B3 B8 B11 107.95(13) . . ?
B4 B8 B7 107.72(12) . . ?
B4 B8 H8 121.8 . . ?
B7 B8 H8 122.0 . . ?
B10 B8 B4 107.69(13) . . ?
B10 B8 B7 59.36(11) . . ?
B10 B8 H8 122.1 . . ?
B11 B8 B4 60.04(11) . . ?
B11 B8 B7 107.75(13) . . ?
B11 B8 H8 121.6 . . ?
B11 B8 B10 60.11(11) . . ?
B2 B9 B5 59.80(10) . . ?
B2 B9 B6 59.81(10) . . ?
B2 B9 H9 122.0 . . ?
B2 B9 B10 107.38(13) . . ?
B2 B9 B11 107.71(13) . . ?
B5 B9 B6 107.40(12) . . ?
B5 B9 H9 122.1 . . ?
B6 B9 H9 122.1 . . ?
B10 B9 B5 107.55(13) . . ?
B10 B9 B6 59.47(11) . . ?
B10 B9 H9 122.0 . . ?
B11 B9 B5 59.72(11) . . ?
B11 B9 B6 107.74(13) . . ?
B11 B9 H9 121.7 . . ?
B11 B9 B10 60.27(11) . . ?
B6 B10 B8 109.10(13) . . ?
B6 B10 B9 60.96(11) . . ?
B6 B10 H10 120.9 . . ?
B6 B10 B11 108.47(13) . . ?
B7 B10 B6 60.55(10) . . ?
B7 B10 B8 60.76(11) . . ?
B7 B10 B9 109.51(13) . . ?
B7 B10 H10 120.8 . . ?
B7 B10 B11 108.53(14) . . ?
B8 B10 H10 121.4 . . ?
B9 B10 B8 108.36(14) . . ?
B9 B10 H10 121.1 . . ?
B9 B10 B11 59.71(11) . . ?
B11 B10 B8 59.69(11) . . ?
B11 B10 H10 122.0 . . ?
B4 B11 H11 121.6 . . ?
B5 B11 B4 59.75(10) . . ?
B5 B11 B8 108.51(13) . . ?
B5 B11 B10 108.05(13) . . ?
B5 B11 H11 121.6 . . ?
B8 B11 B4 60.40(11) . . ?
B8 B11 B10 60.20(11) . . ?
B8 B11 H11 121.1 . . ?
B9 B11 B4 108.65(12) . . ?
B9 B11 B5 60.60(11) . . ?
B9 B11 B8 109.01(14) . . ?
B9 B11 B10 60.02(11) . . ?
B9 B11 H11 121.0 . . ?
B10 B11 B4 108.04(13) . . ?
B10 B11 H11 121.9 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
