#------------------------------------------------------------------------------
#$Date: 2023-02-21 10:43:22 +0200 (Tue, 21 Feb 2023) $
#$Revision: 281054 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/23/7712337.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7712337
loop_
_publ_author_name
'Cai, Jiamin'
'Zhang, Jie'
'Zhou, Xigeng'
_publ_section_title
;
 Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido
 Alkyl Ligand in an Yttrium Complex
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00149K
_journal_year                    2023
_chemical_formula_moiety         'C48 H60 B N10 Si3 Y'
_chemical_formula_sum            'C48 H60 B N10 Si3 Y'
_chemical_formula_weight         961.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2022-09-20
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-09-26 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                91.3010(10)
_cell_angle_beta                 97.5760(10)
_cell_angle_gamma                95.7210(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2029(4)
_cell_length_b                   10.7900(4)
_cell_length_c                   23.0484(7)
_cell_measurement_reflns_used    4741
_cell_measurement_temperature    172.99
_cell_measurement_theta_max      44.64
_cell_measurement_theta_min      3.58
_cell_volume                     2501.05(16)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      172.99
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_unetI/netI     0.0691
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20829
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        44.941
_diffrn_reflns_theta_max         44.941
_diffrn_reflns_theta_min         3.584
_diffrn_source_current           2.86
_diffrn_source_power             0.1999426
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           69.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.766
_exptl_absorpt_correction_T_max  0.7489
_exptl_absorpt_correction_T_min  0.6332
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0925 before and 0.0620 after correction.
The Ratio of minimum to maximum transmission is 0.8455.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_description       Block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.351
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.00110(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         6118
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0407
_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)+(0.0266P)²+2.1266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0911
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4778
_reflns_number_total             6118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00149k2.cif
_cod_data_source_block           ga_210702i
_cod_database_code               7712337
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.933
_shelx_estimated_absorpt_t_min   0.872
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All Si(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 B1(H1c)
2.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C6(H6), C7(H7), C29(H29), C34(H34), C1(H1), C20(H20), C9(H9),
 C15(H15), C8(H8), C39(H39), C4(H4), C17(H17), C11(H11), C19(H19), C14(H14),
 C44(H44), C18(H18), C12(H12), C13(H13), C48(H48), C46(H46), C45(H45), C47(H47)
2.c Idealised Me refined as rotating group:
 C31(H31a,H31b,H31c), C27(H27a,H27b,H27c), C36(H36a,H36b,H36c), C41(H41a,H41b,
 H41c), C32(H32a,H32b,H32c), C23(H23a,H23b,H23c), C22(H22a,H22b,H22c), C37(H37a,
 H37b,H37c), C26(H26a,H26b,H26c), C25(H25a,H25b,H25c), C24(H24a,H24b,H24c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.45419(4) 0.43116(3) 0.24478(2) 0.02275(15) Uani 1 1 d . . . . .
Si2 Si 0.35432(12) 0.32592(11) 0.12103(5) 0.0298(3) Uani 1 1 d . . . . .
Si1 Si 0.54128(12) 0.22702(11) 0.36803(5) 0.0292(3) Uani 1 1 d . . . . .
H1A H 0.512(3) 0.342(3) 0.3920(15) 0.035 Uiso 1 1 d . U . . .
H1B H 0.437(3) 0.131(3) 0.3691(15) 0.035 Uiso 1 1 d . U . . .
Si3 Si 0.11236(12) 0.42462(12) 0.15848(5) 0.0339(3) Uani 1 1 d . . . . .
N3 N 0.2858(3) 0.4741(3) 0.35650(13) 0.0226(8) Uani 1 1 d . . . . .
N1 N 0.5201(3) 0.5839(3) 0.37670(13) 0.0218(8) Uani 1 1 d . . . . .
N8 N 0.5032(3) 0.3141(3) 0.16701(13) 0.0232(8) Uani 1 1 d . . . . .
N2 N 0.5850(3) 0.5362(3) 0.33380(13) 0.0244(8) Uani 1 1 d . . . . .
N4 N 0.3010(3) 0.3868(3) 0.31440(13) 0.0246(8) Uani 1 1 d . . . . .
N7 N 0.2771(3) 0.4026(3) 0.16955(13) 0.0253(8) Uani 1 1 d . . . . .
N10 N 0.5647(3) 0.2533(3) 0.29484(13) 0.0236(8) Uani 1 1 d . . . . .
N5 N 0.3442(3) 0.6792(3) 0.31008(13) 0.0258(8) Uani 1 1 d . . . . .
N6 N 0.3779(3) 0.6429(3) 0.25662(14) 0.0287(8) Uani 1 1 d . . . . .
C30 C 0.1892(4) 0.4285(4) 0.38791(16) 0.0257(10) Uani 1 1 d . . . . .
N9 N 0.6231(4) 0.5753(4) 0.20342(15) 0.0380(10) Uani 1 1 d . . . . .
C16 C 0.6793(4) 0.1787(4) 0.42235(17) 0.0282(10) Uani 1 1 d . . . . .
C21 C 0.7976(4) 0.2536(4) 0.44053(17) 0.0344(11) Uani 1 1 d . . . . .
H21 H 0.812015 0.332673 0.423876 0.041 Uiso 1 1 calc R U . . .
C33 C 0.7125(4) 0.5410(3) 0.35668(17) 0.0250(10) Uani 1 1 d . . . . .
C10 C 0.6297(4) 0.2025(4) 0.10314(17) 0.0280(10) Uani 1 1 d . . . . .
C6 C 0.8400(4) 0.0907(4) 0.31793(17) 0.0289(10) Uani 1 1 d . . . . .
H6 H 0.892587 0.166194 0.312483 0.035 Uiso 1 1 calc R U . . .
C5 C 0.7051(4) 0.0792(4) 0.29879(16) 0.0222(10) Uani 1 1 d . . . . .
C2 C 0.6411(4) 0.1825(4) 0.26799(17) 0.0235(10) Uani 1 1 d . . . . .
C3 C 0.5960(4) 0.2400(4) 0.16246(17) 0.0258(10) Uani 1 1 d . . . . .
C35 C 0.6078(4) 0.6175(4) 0.42511(17) 0.0273(10) Uani 1 1 d . . . . .
C7 C 0.8993(4) -0.0067(4) 0.34498(18) 0.0335(11) Uani 1 1 d . . . . .
H7 H 0.991755 0.002958 0.358777 0.040 Uiso 1 1 calc R U . . .
C28 C 0.2143(4) 0.2875(4) 0.32013(17) 0.0232(10) Uani 1 1 d . . . . .
C31 C 0.1441(4) 0.5024(4) 0.43540(18) 0.0377(12) Uani 1 1 d . . . . .
H31A H 0.218747 0.524485 0.466398 0.057 Uiso 1 1 calc R U . . .
H31B H 0.072641 0.452776 0.451620 0.057 Uiso 1 1 calc R U . . .
H31C H 0.111037 0.578577 0.419476 0.057 Uiso 1 1 calc R U . . .
C40 C 0.2905(4) 0.7889(4) 0.30580(18) 0.0295(11) Uani 1 1 d . . . . .
C29 C 0.1440(4) 0.3104(4) 0.36600(17) 0.0304(11) Uani 1 1 d . . . . .
H29 H 0.077354 0.255003 0.379671 0.036 Uiso 1 1 calc R U . . .
C34 C 0.7305(4) 0.5910(4) 0.41348(17) 0.0299(11) Uani 1 1 d . . . . .
H34 H 0.811783 0.604266 0.439207 0.036 Uiso 1 1 calc R U . . .
C1 C 0.6675(4) 0.1865(4) 0.21008(17) 0.0280(10) Uani 1 1 d . . . . .
H1 H 0.743220 0.148195 0.201885 0.034 Uiso 1 1 calc R U . . .
C20 C 0.8943(5) 0.2160(4) 0.48205(19) 0.0403(12) Uani 1 1 d . . . . .
H20 H 0.974679 0.268387 0.492886 0.048 Uiso 1 1 calc R U . . .
C43 C 0.7821(4) 0.7343(4) 0.15817(19) 0.0346(11) Uani 1 1 d . . . . .
C9 C 0.6918(5) -0.1306(4) 0.33198(18) 0.0374(12) Uani 1 1 d . . . . .
H9 H 0.640211 -0.207282 0.336319 0.045 Uiso 1 1 calc R U . . .
C15 C 0.6630(4) 0.2914(4) 0.06440(18) 0.0357(11) Uani 1 1 d . . . . .
H15 H 0.659844 0.376876 0.074263 0.043 Uiso 1 1 calc R U . . .
C8 C 0.8250(5) -0.1168(4) 0.35189(18) 0.0362(12) Uani 1 1 d . . . . .
H8 H 0.865782 -0.183549 0.370474 0.043 Uiso 1 1 calc R U . . .
C39 C 0.2903(4) 0.8246(4) 0.24899(19) 0.0341(11) Uani 1 1 d . . . . .
H39 H 0.258848 0.898018 0.232754 0.041 Uiso 1 1 calc R U . . .
C27 C 0.2073(4) 0.1755(4) 0.28022(17) 0.0312(11) Uani 1 1 d . . . . .
H27A H 0.275335 0.122191 0.295424 0.047 Uiso 1 1 calc R U . . .
H27B H 0.222691 0.201887 0.241069 0.047 Uiso 1 1 calc R U . . .
H27C H 0.119165 0.128836 0.277956 0.047 Uiso 1 1 calc R U . . .
C4 C 0.6323(4) -0.0330(4) 0.30558(17) 0.0318(11) Uani 1 1 d . . . . .
H4 H 0.539736 -0.043346 0.291875 0.038 Uiso 1 1 calc R U . . .
C42 C 0.6931(5) 0.6457(4) 0.18333(19) 0.0380(12) Uani 1 1 d . . . . .
C38 C 0.3448(4) 0.7331(4) 0.22011(18) 0.0315(11) Uani 1 1 d . . . . .
C17 C 0.6630(5) 0.0660(4) 0.44983(18) 0.0407(12) Uani 1 1 d . . . . .
H17 H 0.583040 0.012689 0.439357 0.049 Uiso 1 1 calc R U . . .
C11 C 0.6338(5) 0.0778(4) 0.08789(18) 0.0439(13) Uani 1 1 d . . . . .
H11 H 0.612421 0.015152 0.114426 0.053 Uiso 1 1 calc R U . . .
C19 C 0.8753(5) 0.1039(5) 0.50770(19) 0.0438(13) Uani 1 1 d . . . . .
H19 H 0.942157 0.078253 0.536245 0.053 Uiso 1 1 calc R U . . .
C36 C 0.5685(4) 0.6743(4) 0.47911(17) 0.0390(12) Uani 1 1 d . . . . .
H36A H 0.645795 0.686562 0.509521 0.058 Uiso 1 1 calc R U . . .
H36B H 0.498322 0.618687 0.493110 0.058 Uiso 1 1 calc R U . . .
H36C H 0.535481 0.754874 0.470120 0.058 Uiso 1 1 calc R U . . .
C41 C 0.2432(5) 0.8516(4) 0.3563(2) 0.0506(14) Uani 1 1 d . . . . .
H41A H 0.317736 0.870953 0.387677 0.076 Uiso 1 1 calc R U . . .
H41B H 0.173698 0.796111 0.370863 0.076 Uiso 1 1 calc R U . . .
H41C H 0.207116 0.928868 0.343660 0.076 Uiso 1 1 calc R U . . .
C32 C 0.8163(4) 0.4992(4) 0.32186(18) 0.0366(12) Uani 1 1 d . . . . .
H32A H 0.773383 0.441985 0.289769 0.055 Uiso 1 1 calc R U . . .
H32B H 0.880614 0.456627 0.347436 0.055 Uiso 1 1 calc R U . . .
H32C H 0.862299 0.571991 0.305745 0.055 Uiso 1 1 calc R U . . .
C23 C 0.3733(5) 0.4106(5) 0.05214(18) 0.0520(14) Uani 1 1 d . . . . .
H23A H 0.285744 0.428802 0.033359 0.078 Uiso 1 1 calc R U . . .
H23B H 0.413479 0.358510 0.025409 0.078 Uiso 1 1 calc R U . . .
H23C H 0.430529 0.488794 0.061575 0.078 Uiso 1 1 calc R U . . .
C14 C 0.7012(5) 0.2581(5) 0.0111(2) 0.0504(14) Uani 1 1 d . . . . .
H14 H 0.726282 0.320584 -0.014891 0.061 Uiso 1 1 calc R U . . .
C44 C 0.8064(5) 0.7149(5) 0.1017(2) 0.0522(14) Uani 1 1 d . . . . .
H44 H 0.762789 0.644444 0.079024 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2791(5) 0.1641(4) 0.0981(2) 0.0564(15) Uani 1 1 d . . . . .
H22A H 0.339410 0.122869 0.076054 0.085 Uiso 1 1 calc R U . . .
H22B H 0.193930 0.167732 0.073247 0.085 Uiso 1 1 calc R U . . .
H22C H 0.264502 0.116813 0.132870 0.085 Uiso 1 1 calc R U . . .
C18 C 0.7594(5) 0.0290(5) 0.4920(2) 0.0489(13) Uani 1 1 d . . . . .
H18 H 0.745047 -0.048641 0.510012 0.059 Uiso 1 1 calc R U . . .
C37 C 0.3674(5) 0.7286(4) 0.15735(18) 0.0470(13) Uani 1 1 d . . . . .
H37A H 0.451543 0.777764 0.153157 0.070 Uiso 1 1 calc R U . . .
H37B H 0.294325 0.763228 0.133218 0.070 Uiso 1 1 calc R U . . .
H37C H 0.371246 0.642004 0.144539 0.070 Uiso 1 1 calc R U . . .
C26 C 0.0593(4) 0.5215(5) 0.2173(2) 0.0558(15) Uani 1 1 d . . . . .
H26A H 0.088658 0.488384 0.255516 0.084 Uiso 1 1 calc R U . . .
H26B H -0.037777 0.519489 0.211541 0.084 Uiso 1 1 calc R U . . .
H26C H 0.099142 0.607643 0.215711 0.084 Uiso 1 1 calc R U . . .
C12 C 0.6689(6) 0.0445(5) 0.0340(2) 0.0596(16) Uani 1 1 d . . . . .
H12 H 0.669852 -0.040941 0.023350 0.072 Uiso 1 1 calc R U . . .
B1 B 0.3715(5) 0.6011(4) 0.3649(2) 0.0271(12) Uani 1 1 d . . . . .
H1C H 0.346690 0.647153 0.399342 0.032 Uiso 1 1 calc R U . . .
C13 C 0.7025(6) 0.1351(5) -0.0039(2) 0.0605(16) Uani 1 1 d . . . . .
H13 H 0.726701 0.112022 -0.040713 0.073 Uiso 1 1 calc R U . . .
C48 C 0.8438(5) 0.8370(5) 0.1907(2) 0.0552(14) Uani 1 1 d . . . . .
H48 H 0.826142 0.851096 0.229627 0.066 Uiso 1 1 calc R U . . .
C46 C 0.9567(5) 0.9002(5) 0.1106(3) 0.0655(16) Uani 1 1 d . . . . .
H46 H 1.017297 0.957482 0.094148 0.079 Uiso 1 1 calc R U . . .
C45 C 0.8944(6) 0.7980(6) 0.0780(2) 0.0703(17) Uani 1 1 d . . . . .
H45 H 0.911973 0.784367 0.039020 0.084 Uiso 1 1 calc R U . . .
C25 C 0.0600(5) 0.4973(6) 0.0879(2) 0.0746(19) Uani 1 1 d . . . . .
H25A H 0.111534 0.578583 0.086496 0.112 Uiso 1 1 calc R U . . .
H25B H -0.034839 0.508461 0.084647 0.112 Uiso 1 1 calc R U . . .
H25C H 0.075632 0.443195 0.055311 0.112 Uiso 1 1 calc R U . . .
C24 C 0.0001(5) 0.2764(5) 0.1548(3) 0.0739(18) Uani 1 1 d . . . . .
H24A H 0.031928 0.214852 0.129555 0.111 Uiso 1 1 calc R U . . .
H24B H -0.090246 0.292125 0.138646 0.111 Uiso 1 1 calc R U . . .
H24C H -0.000361 0.244438 0.194226 0.111 Uiso 1 1 calc R U . . .
C47 C 0.9316(6) 0.9196(5) 0.1665(3) 0.0683(17) Uani 1 1 d . . . . .
H47 H 0.974798 0.990443 0.188986 0.082 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.4654 1.5873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N8 Y1 Si2 34.73(8) . . ?
N8 Y1 N2 135.04(11) . . ?
N8 Y1 N4 131.45(11) . . ?
N8 Y1 N7 68.00(11) . . ?
N8 Y1 N10 77.17(10) . . ?
N8 Y1 N6 134.85(11) . . ?
N8 Y1 N9 77.47(11) . . ?
N2 Y1 Si2 165.56(8) . . ?
N2 Y1 N10 77.39(10) . . ?
N2 Y1 N6 71.79(10) . . ?
N2 Y1 N9 77.35(11) . . ?
N4 Y1 Si2 114.34(8) . . ?
N4 Y1 N2 80.10(10) . . ?
N4 Y1 N10 82.07(10) . . ?
N4 Y1 N6 80.26(10) . . ?
N4 Y1 N9 151.05(11) . . ?
N7 Y1 Si2 33.41(8) . . ?
N7 Y1 N2 154.94(10) . . ?
N7 Y1 N4 89.27(11) . . ?
N7 Y1 N10 123.81(10) . . ?
N7 Y1 N6 84.13(11) . . ?
N7 Y1 N9 103.78(11) . . ?
N10 Y1 Si2 103.72(7) . . ?
N6 Y1 Si2 109.35(8) . . ?
N6 Y1 N10 146.59(10) . . ?
N9 Y1 Si2 88.90(8) . . ?
N9 Y1 N10 110.10(11) . . ?
N9 Y1 N6 75.62(11) . . ?
N8 Si2 Y1 48.61(10) . . ?
N8 Si2 C23 114.83(19) . . ?
N8 Si2 C22 107.69(19) . . ?
N7 Si2 Y1 49.01(11) . . ?
N7 Si2 N8 97.39(15) . . ?
N7 Si2 C23 114.24(19) . . ?
N7 Si2 C22 116.04(19) . . ?
C23 Si2 Y1 125.11(17) . . ?
C22 Si2 Y1 128.08(17) . . ?
C22 Si2 C23 106.6(2) . . ?
H1A Si1 H1B 112.3(19) . . ?
N10 Si1 H1A 106.6(14) . . ?
N10 Si1 H1B 109.1(14) . . ?
N10 Si1 C16 121.00(17) . . ?
C16 Si1 H1A 104.1(14) . . ?
C16 Si1 H1B 103.8(14) . . ?
N7 Si3 C26 113.78(18) . . ?
N7 Si3 C25 113.7(2) . . ?
N7 Si3 C24 113.3(2) . . ?
C26 Si3 C24 104.8(2) . . ?
C25 Si3 C26 106.9(2) . . ?
C25 Si3 C24 103.5(3) . . ?
N4 N3 B1 122.6(3) . . ?
C30 N3 N4 109.3(3) . . ?
C30 N3 B1 128.2(3) . . ?
N2 N1 B1 121.1(3) . . ?
C35 N1 N2 109.9(3) . . ?
C35 N1 B1 128.8(3) . . ?
Si2 N8 Y1 96.66(14) . . ?
C3 N8 Y1 132.0(3) . . ?
C3 N8 Si2 129.8(3) . . ?
N1 N2 Y1 119.7(2) . . ?
C33 N2 Y1 133.2(2) . . ?
C33 N2 N1 106.0(3) . . ?
N3 N4 Y1 121.0(2) . . ?
C28 N4 Y1 131.9(3) . . ?
C28 N4 N3 107.1(3) . . ?
Si2 N7 Y1 97.58(14) . . ?
Si2 N7 Si3 123.84(19) . . ?
Si3 N7 Y1 138.19(16) . . ?
Si1 N10 Y1 117.56(15) . . ?
C2 N10 Y1 122.5(2) . . ?
C2 N10 Si1 120.0(3) . . ?
N6 N5 B1 121.5(3) . . ?
C40 N5 N6 110.2(3) . . ?
C40 N5 B1 128.2(3) . . ?
N5 N6 Y1 119.1(2) . . ?
C38 N6 Y1 134.9(3) . . ?
C38 N6 N5 105.5(3) . . ?
N3 C30 C31 122.8(4) . . ?
N3 C30 C29 107.5(3) . . ?
C29 C30 C31 129.6(4) . . ?
C42 N9 Y1 175.3(4) . . ?
C21 C16 Si1 123.8(3) . . ?
C17 C16 Si1 120.0(3) . . ?
C17 C16 C21 116.0(4) . . ?
C16 C21 H21 119.1 . . ?
C20 C21 C16 121.8(4) . . ?
C20 C21 H21 119.1 . . ?
N2 C33 C34 110.3(4) . . ?
N2 C33 C32 121.6(4) . . ?
C34 C33 C32 128.0(4) . . ?
C15 C10 C3 120.5(4) . . ?
C15 C10 C11 118.8(4) . . ?
C11 C10 C3 120.6(4) . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.7(4) . . ?
C7 C6 H6 119.7 . . ?
C6 C5 C2 120.9(3) . . ?
C4 C5 C6 118.2(4) . . ?
C4 C5 C2 120.7(4) . . ?
N10 C2 C5 121.1(3) . . ?
N10 C2 C1 128.1(4) . . ?
C1 C2 C5 110.7(3) . . ?
N8 C3 C10 120.6(4) . . ?
N8 C3 C1 124.4(4) . . ?
C1 C3 C10 114.9(3) . . ?
N1 C35 C34 107.4(3) . . ?
N1 C35 C36 122.9(4) . . ?
C34 C35 C36 129.7(4) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(4) . . ?
C8 C7 H7 119.9 . . ?
N4 C28 C29 109.4(3) . . ?
N4 C28 C27 119.9(3) . . ?
C29 C28 C27 130.7(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N5 C40 C39 107.2(3) . . ?
N5 C40 C41 122.8(4) . . ?
C39 C40 C41 130.0(4) . . ?
C30 C29 C28 106.7(4) . . ?
C30 C29 H29 126.6 . . ?
C28 C29 H29 126.6 . . ?
C33 C34 H34 126.8 . . ?
C35 C34 C33 106.3(4) . . ?
C35 C34 H34 126.8 . . ?
C2 C1 C3 128.1(4) . . ?
C2 C1 H1 115.9 . . ?
C3 C1 H1 115.9 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.5(5) . . ?
C19 C20 H20 119.8 . . ?
C44 C43 C42 119.7(4) . . ?
C44 C43 C48 120.1(4) . . ?
C48 C43 C42 120.2(4) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C4 120.0(4) . . ?
C4 C9 H9 120.0 . . ?
C10 C15 H15 119.5 . . ?
C10 C15 C14 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.9(4) . . ?
C9 C8 H8 120.1 . . ?
C40 C39 H39 126.7 . . ?
C40 C39 C38 106.6(4) . . ?
C38 C39 H39 126.7 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C5 C4 C9 121.0(4) . . ?
C5 C4 H4 119.5 . . ?
C9 C4 H4 119.5 . . ?
N9 C42 C43 179.7(6) . . ?
N6 C38 C39 110.5(4) . . ?
N6 C38 C37 121.9(4) . . ?
C39 C38 C37 127.6(4) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.1(4) . . ?
C18 C17 H17 119.0 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 119.9 . . ?
C20 C19 H19 120.2 . . ?
C20 C19 C18 119.5(4) . . ?
C18 C19 H19 120.2 . . ?
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 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C14 H14 120.2 . . ?
C13 C14 C15 119.6(5) . . ?
C13 C14 H14 120.2 . . ?
C43 C44 H44 120.1 . . ?
C43 C44 C45 119.8(5) . . ?
C45 C44 H44 120.1 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(5) . . ?
C19 C18 H18 120.0 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si3 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
Si3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(5) . . ?
C13 C12 H12 120.0 . . ?
N3 B1 N5 110.1(3) . . ?
N3 B1 H1C 108.6 . . ?
N1 B1 N3 111.1(3) . . ?
N1 B1 N5 109.8(3) . . ?
N1 B1 H1C 108.6 . . ?
N5 B1 H1C 108.6 . . ?
C14 C13 C12 120.4(4) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C43 C48 H48 120.2 . . ?
C43 C48 C47 119.6(5) . . ?
C47 C48 H48 120.2 . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C47 C46 C45 119.9(5) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 C44 120.2(5) . . ?
C46 C45 H45 119.9 . . ?
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 . . ?
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 . . ?
C48 C47 H47 119.8 . . ?
C46 C47 C48 120.5(5) . . ?
C46 C47 H47 119.8 . . ?
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
Y1 Si2 3.0527(11) . ?
Y1 N8 2.306(3) . ?
Y1 N2 2.479(3) . ?
Y1 N4 2.407(3) . ?
Y1 N7 2.325(3) . ?
Y1 N10 2.545(3) . ?
Y1 N6 2.506(3) . ?
Y1 N9 2.502(4) . ?
Si2 N8 1.751(3) . ?
Si2 N7 1.696(3) . ?
Si2 C23 1.872(4) . ?
Si2 C22 1.872(5) . ?
Si1 H1A 1.42(3) . ?
Si1 H1B 1.41(4) . ?
Si1 N10 1.760(3) . ?
Si1 C16 1.880(4) . ?
Si3 N7 1.708(3) . ?
Si3 C26 1.861(4) . ?
Si3 C25 1.860(5) . ?
Si3 C24 1.865(5) . ?
N3 N4 1.371(4) . ?
N3 C30 1.358(5) . ?
N3 B1 1.545(6) . ?
N1 N2 1.378(4) . ?
N1 C35 1.353(5) . ?
N1 B1 1.536(5) . ?
N8 C3 1.312(5) . ?
N2 C33 1.333(5) . ?
N4 C28 1.341(5) . ?
N10 C2 1.341(5) . ?
N5 N6 1.381(4) . ?
N5 C40 1.353(5) . ?
N5 B1 1.545(6) . ?
N6 C38 1.341(5) . ?
C30 C31 1.487(5) . ?
C30 C29 1.373(5) . ?
N9 C42 1.140(5) . ?
C16 C21 1.393(6) . ?
C16 C17 1.390(6) . ?
C21 H21 0.9500 . ?
C21 C20 1.379(6) . ?
C33 C34 1.387(5) . ?
C33 C32 1.507(5) . ?
C10 C3 1.509(5) . ?
C10 C15 1.373(6) . ?
C10 C11 1.389(6) . ?
C6 H6 0.9500 . ?
C6 C5 1.381(5) . ?
C6 C7 1.384(5) . ?
C5 C2 1.494(5) . ?
C5 C4 1.380(5) . ?
C2 C1 1.396(5) . ?
C3 C1 1.404(5) . ?
C35 C34 1.370(5) . ?
C35 C36 1.494(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.369(6) . ?
C28 C29 1.384(5) . ?
C28 C27 1.492(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C40 C39 1.373(6) . ?
C40 C41 1.492(5) . ?
C29 H29 0.9500 . ?
C34 H34 0.9500 . ?
C1 H1 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.366(6) . ?
C43 C42 1.436(6) . ?
C43 C44 1.372(6) . ?
C43 C48 1.373(6) . ?
C9 H9 0.9500 . ?
C9 C8 1.368(6) . ?
C9 C4 1.380(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.387(6) . ?
C8 H8 0.9500 . ?
C39 H39 0.9500 . ?
C39 C38 1.380(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C4 H4 0.9500 . ?
C38 C37 1.495(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(6) . ?
C19 H19 0.9500 . ?
C19 C18 1.366(6) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C13 1.365(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.378(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C18 H18 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.374(7) . ?
B1 H1C 1.0000 . ?
C13 H13 0.9500 . ?
C48 H48 0.9500 . ?
C48 C47 1.379(7) . ?
C46 H46 0.9500 . ?
C46 C45 1.372(7) . ?
C46 C47 1.363(7) . ?
C45 H45 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C47 H47 0.9500 . ?
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
Y1 Si2 N8 C3 167.0(4) . . . . ?
Y1 Si2 N7 Si3 -174.0(3) . . . . ?
Y1 N8 C3 C10 -162.9(3) . . . . ?
Y1 N8 C3 C1 19.4(6) . . . . ?
Y1 N2 C33 C34 -167.5(3) . . . . ?
Y1 N2 C33 C32 14.1(5) . . . . ?
Y1 N4 C28 C29 -177.0(3) . . . . ?
Y1 N4 C28 C27 3.6(5) . . . . ?
Y1 N10 C2 C5 179.7(3) . . . . ?
Y1 N10 C2 C1 -4.0(5) . . . . ?
Y1 N6 C38 C39 171.0(3) . . . . ?
Y1 N6 C38 C37 -9.2(6) . . . . ?
Si2 N8 C3 C10 34.6(5) . . . . ?
Si2 N8 C3 C1 -143.1(3) . . . . ?
Si1 N10 C2 C5 1.3(5) . . . . ?
Si1 N10 C2 C1 177.6(3) . . . . ?
Si1 C16 C21 C20 177.7(3) . . . . ?
Si1 C16 C17 C18 -177.1(3) . . . . ?
N3 N4 C28 C29 -0.4(4) . . . . ?
N3 N4 C28 C27 -179.8(3) . . . . ?
N3 C30 C29 C28 -1.0(4) . . . . ?
N1 N2 C33 C34 0.0(4) . . . . ?
N1 N2 C33 C32 -178.4(3) . . . . ?
N1 C35 C34 C33 0.1(4) . . . . ?
N8 Si2 N7 Y1 5.14(15) . . . . ?
N8 Si2 N7 Si3 -168.9(2) . . . . ?
N8 C3 C1 C2 11.9(7) . . . . ?
N2 N1 C35 C34 -0.1(4) . . . . ?
N2 N1 C35 C36 179.1(3) . . . . ?
N2 N1 B1 N3 68.2(4) . . . . ?
N2 N1 B1 N5 -53.8(4) . . . . ?
N2 C33 C34 C35 -0.1(5) . . . . ?
N4 N3 C30 C31 -177.2(3) . . . . ?
N4 N3 C30 C29 0.8(4) . . . . ?
N4 N3 B1 N1 -57.4(4) . . . . ?
N4 N3 B1 N5 64.4(4) . . . . ?
N4 C28 C29 C30 0.9(5) . . . . ?
N7 Si2 N8 Y1 -5.18(16) . . . . ?
N7 Si2 N8 C3 161.8(4) . . . . ?
N10 Si1 C16 C21 64.8(4) . . . . ?
N10 Si1 C16 C17 -119.6(3) . . . . ?
N10 C2 C1 C3 -18.3(7) . . . . ?
N5 N6 C38 C39 -0.5(5) . . . . ?
N5 N6 C38 C37 179.3(4) . . . . ?
N5 C40 C39 C38 0.2(5) . . . . ?
N6 N5 C40 C39 -0.5(4) . . . . ?
N6 N5 C40 C41 179.5(4) . . . . ?
N6 N5 B1 N3 -65.8(4) . . . . ?
N6 N5 B1 N1 56.8(5) . . . . ?
C30 N3 N4 Y1 176.8(2) . . . . ?
C30 N3 N4 C28 -0.3(4) . . . . ?
C30 N3 B1 N1 121.1(4) . . . . ?
C30 N3 B1 N5 -117.1(4) . . . . ?
C16 Si1 N10 Y1 -142.62(18) . . . . ?
C16 Si1 N10 C2 35.8(4) . . . . ?
C16 C21 C20 C19 -1.4(6) . . . . ?
C16 C17 C18 C19 -0.1(7) . . . . ?
C21 C16 C17 C18 -1.2(6) . . . . ?
C21 C20 C19 C18 -0.1(7) . . . . ?
C10 C3 C1 C2 -166.0(4) . . . . ?
C10 C15 C14 C13 1.7(7) . . . . ?
C10 C11 C12 C13 1.3(8) . . . . ?
C6 C5 C2 N10 -106.5(4) . . . . ?
C6 C5 C2 C1 76.6(4) . . . . ?
C6 C5 C4 C9 1.4(6) . . . . ?
C6 C7 C8 C9 0.0(6) . . . . ?
C5 C6 C7 C8 1.5(6) . . . . ?
C5 C2 C1 C3 158.3(4) . . . . ?
C2 C5 C4 C9 177.5(4) . . . . ?
C3 C10 C15 C14 176.4(4) . . . . ?
C3 C10 C11 C12 -178.0(4) . . . . ?
C35 N1 N2 Y1 169.6(2) . . . . ?
C35 N1 N2 C33 0.1(4) . . . . ?
C35 N1 B1 N3 -116.7(4) . . . . ?
C35 N1 B1 N5 121.3(4) . . . . ?
C7 C6 C5 C2 -178.2(4) . . . . ?
C7 C6 C5 C4 -2.2(6) . . . . ?
C31 C30 C29 C28 176.9(4) . . . . ?
C40 N5 N6 Y1 -172.5(2) . . . . ?
C40 N5 N6 C38 0.6(4) . . . . ?
C40 N5 B1 N3 116.0(4) . . . . ?
C40 N5 B1 N1 -121.4(4) . . . . ?
C40 C39 C38 N6 0.2(5) . . . . ?
C40 C39 C38 C37 -179.6(4) . . . . ?
C20 C19 C18 C17 0.8(7) . . . . ?
C43 C44 C45 C46 -0.5(8) . . . . ?
C43 C48 C47 C46 0.4(9) . . . . ?
C15 C10 C3 N8 54.3(5) . . . . ?
C15 C10 C3 C1 -127.8(4) . . . . ?
C15 C10 C11 C12 -1.0(7) . . . . ?
C15 C14 C13 C12 -1.4(8) . . . . ?
C8 C9 C4 C5 0.0(6) . . . . ?
C27 C28 C29 C30 -179.8(4) . . . . ?
C4 C5 C2 N10 77.6(5) . . . . ?
C4 C5 C2 C1 -99.3(4) . . . . ?
C4 C9 C8 C7 -0.7(6) . . . . ?
C42 C43 C44 C45 -178.3(5) . . . . ?
C42 C43 C48 C47 178.3(5) . . . . ?
C17 C16 C21 C20 2.0(6) . . . . ?
C11 C10 C3 N8 -128.8(4) . . . . ?
C11 C10 C3 C1 49.1(5) . . . . ?
C11 C10 C15 C14 -0.5(6) . . . . ?
C11 C12 C13 C14 -0.1(8) . . . . ?
C36 C35 C34 C33 -179.0(4) . . . . ?
C41 C40 C39 C38 -179.8(4) . . . . ?
C32 C33 C34 C35 178.3(4) . . . . ?
C23 Si2 N8 Y1 115.90(19) . . . . ?
C23 Si2 N8 C3 -77.1(4) . . . . ?
C23 Si2 N7 Y1 -116.4(2) . . . . ?
C23 Si2 N7 Si3 69.6(3) . . . . ?
C44 C43 C48 C47 -0.8(8) . . . . ?
C22 Si2 N8 Y1 -125.58(18) . . . . ?
C22 Si2 N8 C3 41.4(4) . . . . ?
C22 Si2 N7 Y1 119.0(2) . . . . ?
C22 Si2 N7 Si3 -55.0(3) . . . . ?
C26 Si3 N7 Y1 12.8(3) . . . . ?
C26 Si3 N7 Si2 -176.0(2) . . . . ?
B1 N3 N4 Y1 -4.4(4) . . . . ?
B1 N3 N4 C28 178.5(3) . . . . ?
B1 N3 C30 C31 4.1(6) . . . . ?
B1 N3 C30 C29 -177.8(4) . . . . ?
B1 N1 N2 Y1 -14.4(4) . . . . ?
B1 N1 N2 C33 176.1(3) . . . . ?
B1 N1 C35 C34 -175.7(4) . . . . ?
B1 N1 C35 C36 3.5(6) . . . . ?
B1 N5 N6 Y1 9.0(4) . . . . ?
B1 N5 N6 C38 -177.9(4) . . . . ?
B1 N5 C40 C39 177.9(4) . . . . ?
B1 N5 C40 C41 -2.1(6) . . . . ?
C48 C43 C44 C45 0.9(7) . . . . ?
C45 C46 C47 C48 0.0(9) . . . . ?
C25 Si3 N7 Y1 135.5(3) . . . . ?
C25 Si3 N7 Si2 -53.4(3) . . . . ?
C24 Si3 N7 Y1 -106.7(3) . . . . ?
C24 Si3 N7 Si2 64.4(3) . . . . ?
C47 C46 C45 C44 0.1(9) . . . . ?
