#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/70/7117005.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_7117005
loop_
_publ_author_name
'Deepak Dange'
'Amelia Davey'
'Joseph A. B. Abdalla'
'Simon Aldridge'
'Cameron Jones'
_publ_section_title
;
 Utilisation of a lithium boryl as a reducing agent in low oxidation state
 group 15 chemistry: synthesis and characterisation of an amido-distibene
 and a boryl-dibismuthene
;
_journal_name_full               Chem.Commun.
_journal_page_first              7128
_journal_paper_doi               10.1039/C5cc01772F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C63.5 H73.5 As B N3 Si'
_chemical_formula_weight         992.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-27 deposited with the CCDC.
2015-03-21 downloaded from the CCDC.
;
_cell_angle_alpha                99.963(7)
_cell_angle_beta                 104.228(7)
_cell_angle_gamma                100.574(7)
_cell_formula_units_Z            2
_cell_length_a                   12.3574(10)
_cell_length_b                   12.6670(10)
_cell_length_c                   19.7946(18)
_cell_measurement_temperature    123(2)
_cell_volume                     2874.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Apex X8'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1102
_diffrn_reflns_av_sigmaI/netI    0.2025
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22745
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.652
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1055
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.408
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         10322
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1896
_refine_ls_R_factor_gt           0.1023
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1443P)²+1.8747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2540
_refine_ls_wR_factor_ref         0.3149
_reflns_number_gt                5036
_reflns_number_total             10322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc01772f2.cif
_cod_data_source_block           compound3a
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C63.50 H73.50 As B N3 Si'
_cod_database_code               7117005
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.66487(7) 0.68868(6) 0.74661(4) 0.0370(3) Uani 1 1 d D . .
Si1 Si 0.50221(18) 0.66693(17) 0.85384(12) 0.0346(5) Uani 1 1 d . . .
N1 N 0.9066(5) 0.7654(5) 0.8292(3) 0.0337(15) Uani 1 1 d . . .
C1 C 1.0013(8) 0.7464(7) 0.8759(5) 0.041(2) Uani 1 1 d . . .
B1 B 0.8026(8) 0.6863(6) 0.8278(5) 0.032(2) Uani 1 1 d . . .
H1 H 1.055(7) 0.780(6) 0.879(4) 0.03(3) Uiso 1 1 d . . .
N2 N 0.8482(5) 0.6202(5) 0.8761(3) 0.0333(15) Uani 1 1 d . . .
C2 C 0.9669(7) 0.6601(6) 0.9031(5) 0.0383(19) Uani 1 1 d . . .
H2 H 1.007(8) 0.637(8) 0.949(5) 0.08(3) Uiso 1 1 d . . .
N3 N 0.5264(5) 0.6719(4) 0.7712(3) 0.0266(13) Uani 1 1 d . . .
C3 C 0.9192(6) 0.8399(6) 0.7821(4) 0.0338(18) Uani 1 1 d . . .
C4 C 0.9306(6) 0.7967(6) 0.7157(4) 0.0370(19) Uani 1 1 d . . .
C5 C 0.9444(7) 0.8681(7) 0.6695(5) 0.047(2) Uani 1 1 d . . .
C6 C 0.9477(7) 0.9813(7) 0.6931(5) 0.052(2) Uani 1 1 d . . .
C7 C 0.9322(7) 1.0218(6) 0.7603(5) 0.044(2) Uani 1 1 d . . .
C8 C 0.9180(6) 0.9501(6) 0.8072(4) 0.0369(19) Uani 1 1 d . . .
C9 C 0.9086(7) 0.9972(6) 0.8795(4) 0.041(2) Uani 1 1 d . . .
H9 H 0.8803 0.9340 0.8997 0.049 Uiso 1 1 calc R . .
C10 C 0.8207(8) 1.0692(8) 0.8750(5) 0.063(3) Uani 1 1 d . . .
H10A H 0.8480 1.1339 0.8574 0.095 Uiso 1 1 calc R . .
H10B H 0.8115 1.0932 0.9226 0.095 Uiso 1 1 calc R . .
H10C H 0.7467 1.0263 0.8420 0.095 Uiso 1 1 calc R . .
C11 C 1.0247(7) 1.0608(6) 0.9300(4) 0.044(2) Uani 1 1 d . . .
H11A H 1.0756 1.0104 0.9375 0.066 Uiso 1 1 calc R . .
H11B H 1.0150 1.0942 0.9760 0.066 Uiso 1 1 calc R . .
H11C H 1.0583 1.1189 0.9093 0.066 Uiso 1 1 calc R . .
C12 C 0.9310(7) 0.6774(6) 0.6907(5) 0.044(2) Uani 1 1 d . . .
H12 H 0.9021 0.6365 0.7241 0.053 Uiso 1 1 calc R . .
C13 C 0.8507(8) 0.6251(7) 0.6161(5) 0.055(2) Uani 1 1 d . . .
H13A H 0.7742 0.6379 0.6137 0.083 Uiso 1 1 calc R . .
H13B H 0.8456 0.5455 0.6053 0.083 Uiso 1 1 calc R . .
H13C H 0.8805 0.6580 0.5810 0.083 Uiso 1 1 calc R . .
C14 C 1.0531(7) 0.6627(7) 0.6961(5) 0.056(3) Uani 1 1 d . . .
H14A H 1.0841 0.7007 0.6633 0.084 Uiso 1 1 calc R . .
H14B H 1.0511 0.5840 0.6831 0.084 Uiso 1 1 calc R . .
H14C H 1.1021 0.6942 0.7452 0.084 Uiso 1 1 calc R . .
C15 C 0.7945(6) 0.5200(6) 0.8913(4) 0.0363(19) Uani 1 1 d . . .
C16 C 0.7909(7) 0.5230(6) 0.9621(4) 0.0377(19) Uani 1 1 d . . .
C17 C 0.7446(8) 0.4211(7) 0.9767(5) 0.051(2) Uani 1 1 d . . .
H17 H 0.7410 0.4188 1.0239 0.061 Uiso 1 1 calc R . .
C18 C 0.7048(7) 0.3255(6) 0.9237(5) 0.052(2) Uani 1 1 d . . .
H18 H 0.6740 0.2585 0.9349 0.062 Uiso 1 1 calc R . .
C19 C 0.7090(7) 0.3254(6) 0.8555(5) 0.045(2) Uani 1 1 d . . .
H19 H 0.6783 0.2588 0.8196 0.054 Uiso 1 1 calc R . .
C20 C 0.7574(7) 0.4212(6) 0.8373(5) 0.039(2) Uani 1 1 d . . .
C21 C 0.7697(7) 0.4168(6) 0.7634(5) 0.044(2) Uani 1 1 d . . .
H21 H 0.7463 0.4824 0.7480 0.053 Uiso 1 1 calc R . .
C22 C 0.8956(8) 0.4250(7) 0.7616(5) 0.056(3) Uani 1 1 d . . .
H22A H 0.9453 0.4921 0.7957 0.084 Uiso 1 1 calc R . .
H22B H 0.9006 0.4278 0.7133 0.084 Uiso 1 1 calc R . .
H22C H 0.9205 0.3604 0.7748 0.084 Uiso 1 1 calc R . .
C23 C 0.6964(8) 0.3164(7) 0.7079(5) 0.067(3) Uani 1 1 d . . .
H23A H 0.7232 0.2511 0.7183 0.101 Uiso 1 1 calc R . .
H23B H 0.7019 0.3249 0.6605 0.101 Uiso 1 1 calc R . .
H23C H 0.6163 0.3075 0.7087 0.101 Uiso 1 1 calc R . .
C24 C 0.8314(7) 0.6255(6) 1.0215(4) 0.043(2) Uani 1 1 d . . .
H24 H 0.8482 0.6897 0.9995 0.051 Uiso 1 1 calc R . .
C25 C 0.7401(8) 0.6437(7) 1.0593(5) 0.049(2) Uani 1 1 d . . .
H25A H 0.6662 0.6338 1.0236 0.074 Uiso 1 1 calc R . .
H25B H 0.7629 0.7188 1.0894 0.074 Uiso 1 1 calc R . .
H25C H 0.7328 0.5904 1.0893 0.074 Uiso 1 1 calc R . .
C26 C 0.9421(7) 0.6245(7) 1.0754(5) 0.053(2) Uani 1 1 d . . .
H26A H 0.9288 0.5618 1.0976 0.079 Uiso 1 1 calc R . .
H26B H 0.9676 0.6934 1.1124 0.079 Uiso 1 1 calc R . .
H26C H 1.0014 0.6178 1.0510 0.079 Uiso 1 1 calc R . .
C27 C 0.4346(6) 0.6659(6) 0.7079(4) 0.0290(17) Uani 1 1 d . . .
C28 C 0.3724(6) 0.5646(5) 0.6608(4) 0.0287(17) Uani 1 1 d . . .
C29 C 0.2843(6) 0.5637(6) 0.6017(4) 0.0300(17) Uani 1 1 d . . .
H29 H 0.2433 0.4947 0.5701 0.036 Uiso 1 1 calc R . .
C30 C 0.2533(7) 0.6579(6) 0.5863(4) 0.0365(19) Uani 1 1 d . . .
C31 C 0.3188(6) 0.7576(6) 0.6309(4) 0.0374(19) Uani 1 1 d . . .
H31 H 0.3019 0.8236 0.6193 0.045 Uiso 1 1 calc R . .
C32 C 0.4073(6) 0.7667(6) 0.6914(4) 0.0304(17) Uani 1 1 d . . .
C33 C 0.4760(6) 0.8806(6) 0.7369(4) 0.0320(18) Uani 1 1 d . . .
H33 H 0.5478 0.8692 0.7681 0.038 Uiso 1 1 calc R . .
C34 C 0.4157(6) 0.9352(5) 0.7870(4) 0.0349(19) Uani 1 1 d . . .
C35 C 0.2953(6) 0.9186(6) 0.7724(4) 0.0345(18) Uani 1 1 d . . .
H35 H 0.2471 0.8716 0.7284 0.041 Uiso 1 1 calc R . .
C36 C 0.2464(7) 0.9685(6) 0.8201(4) 0.039(2) Uani 1 1 d . . .
H36 H 0.1651 0.9554 0.8090 0.047 Uiso 1 1 calc R . .
C37 C 0.3135(7) 1.0372(7) 0.8835(5) 0.050(2) Uani 1 1 d . . .
H37 H 0.2789 1.0716 0.9164 0.059 Uiso 1 1 calc R . .
C38 C 0.4315(7) 1.0564(7) 0.8998(5) 0.055(3) Uani 1 1 d . . .
H38 H 0.4780 1.1042 0.9439 0.066 Uiso 1 1 calc R . .
C39 C 0.4827(7) 1.0063(6) 0.8522(5) 0.048(2) Uani 1 1 d . . .
H39 H 0.5641 1.0205 0.8640 0.057 Uiso 1 1 calc R . .
C40 C 0.5137(7) 0.9550(5) 0.6895(4) 0.0351(19) Uani 1 1 d . . .
C41 C 0.4488(7) 1.0244(6) 0.6621(5) 0.045(2) Uani 1 1 d . . .
H41 H 0.3824 1.0323 0.6767 0.053 Uiso 1 1 calc R . .
C42 C 0.4795(8) 1.0823(6) 0.6137(5) 0.051(2) Uani 1 1 d . . .
H42 H 0.4333 1.1286 0.5948 0.061 Uiso 1 1 calc R . .
C43 C 0.5775(8) 1.0732(6) 0.5924(5) 0.047(2) Uani 1 1 d . . .
H43 H 0.5974 1.1106 0.5580 0.057 Uiso 1 1 calc R . .
C44 C 0.6444(7) 1.0090(6) 0.6225(5) 0.044(2) Uani 1 1 d . . .
H44 H 0.7138 1.0054 0.6106 0.053 Uiso 1 1 calc R . .
C45 C 0.6139(7) 0.9498(6) 0.6694(5) 0.042(2) Uani 1 1 d . . .
H45 H 0.6613 0.9046 0.6885 0.051 Uiso 1 1 calc R . .
C46 C 0.4063(7) 0.4568(5) 0.6706(4) 0.0319(17) Uani 1 1 d . . .
H46 H 0.4826 0.4777 0.7078 0.038 Uiso 1 1 calc R . .
C47 C 0.3245(7) 0.3809(6) 0.6983(4) 0.0368(19) Uani 1 1 d . . .
C48 C 0.2175(8) 0.3940(7) 0.7004(5) 0.057(3) Uani 1 1 d . . .
H48 H 0.1907 0.4539 0.6850 0.068 Uiso 1 1 calc R . .
C49 C 0.1487(9) 0.3195(8) 0.7251(6) 0.069(3) Uani 1 1 d . . .
H49 H 0.0739 0.3279 0.7250 0.083 Uiso 1 1 calc R . .
C50 C 0.1862(8) 0.2341(7) 0.7497(5) 0.058(3) Uani 1 1 d . . .
H50 H 0.1385 0.1841 0.7671 0.070 Uiso 1 1 calc R . .
C51 C 0.2941(8) 0.2221(7) 0.7487(5) 0.050(2) Uani 1 1 d . . .
H51 H 0.3222 0.1638 0.7658 0.060 Uiso 1 1 calc R . .
C52 C 0.3603(7) 0.2936(6) 0.7233(5) 0.045(2) Uani 1 1 d . . .
H52 H 0.4344 0.2836 0.7226 0.054 Uiso 1 1 calc R . .
C53 C 0.4249(7) 0.3987(6) 0.6023(4) 0.0345(18) Uani 1 1 d . . .
C54 C 0.5274(7) 0.4337(7) 0.5865(4) 0.044(2) Uani 1 1 d . . .
H54 H 0.5853 0.4926 0.6196 0.052 Uiso 1 1 calc R . .
C55 C 0.5477(8) 0.3854(7) 0.5239(4) 0.047(2) Uani 1 1 d . . .
H55 H 0.6181 0.4128 0.5146 0.056 Uiso 1 1 calc R . .
C56 C 0.4694(8) 0.3003(7) 0.4761(5) 0.050(2) Uani 1 1 d . . .
H56 H 0.4844 0.2666 0.4337 0.060 Uiso 1 1 calc R . .
C57 C 0.3654(8) 0.2623(7) 0.4902(5) 0.053(2) Uani 1 1 d . . .
H57 H 0.3090 0.2026 0.4567 0.064 Uiso 1 1 calc R . .
C58 C 0.3430(7) 0.3113(6) 0.5535(4) 0.0358(19) Uani 1 1 d . . .
H58 H 0.2721 0.2846 0.5626 0.043 Uiso 1 1 calc R . .
C59 C 0.1571(7) 0.6533(7) 0.5211(4) 0.048(2) Uani 1 1 d . . .
H59A H 0.1893 0.6696 0.4824 0.072 Uiso 1 1 calc R . .
H59B H 0.1139 0.7080 0.5329 0.072 Uiso 1 1 calc R . .
H59C H 0.1056 0.5795 0.5055 0.072 Uiso 1 1 calc R . .
C60 C 0.3562(7) 0.6885(7) 0.8523(5) 0.050(2) Uani 1 1 d . . .
H60A H 0.3528 0.7631 0.8463 0.074 Uiso 1 1 calc R . .
H60B H 0.3407 0.6794 0.8974 0.074 Uiso 1 1 calc R . .
H60C H 0.2985 0.6343 0.8124 0.074 Uiso 1 1 calc R . .
C61 C 0.6152(7) 0.7792(6) 0.9230(4) 0.041(2) Uani 1 1 d . . .
H61A H 0.6913 0.7666 0.9235 0.062 Uiso 1 1 calc R . .
H61B H 0.6036 0.7790 0.9702 0.062 Uiso 1 1 calc R . .
H61C H 0.6099 0.8506 0.9115 0.062 Uiso 1 1 calc R . .
C62 C 0.5024(7) 0.5296(6) 0.8749(5) 0.043(2) Uani 1 1 d . . .
H62A H 0.4339 0.4754 0.8430 0.065 Uiso 1 1 calc R . .
H62B H 0.5019 0.5339 0.9247 0.065 Uiso 1 1 calc R . .
H62C H 0.5714 0.5071 0.8680 0.065 Uiso 1 1 calc R . .
C63 C 1.1816(16) 0.9390(18) 0.5013(11) 0.094(8) Uiso 0.50 1 d PD . .
H63A H 1.1085 0.8899 0.4710 0.141 Uiso 0.50 1 calc PR . .
H63B H 1.2292 0.8959 0.5265 0.141 Uiso 0.50 1 calc PR . .
H63C H 1.2219 0.9748 0.4713 0.141 Uiso 0.50 1 calc PR . .
C64 C 1.1588(8) 1.0255(17) 0.5549(9) 0.095(8) Uiso 0.50 1 d PD . .
H64A H 1.2191 1.0943 0.5657 0.114 Uiso 0.50 1 calc PR . .
H64B H 1.1636 1.0002 0.6000 0.114 Uiso 0.50 1 calc PR . .
C65 C 1.0417(7) 1.0498(8) 0.5285(7) 0.053(5) Uiso 0.50 1 d PD . .
H65A H 1.0499 1.1154 0.5076 0.064 Uiso 0.50 1 calc PR . .
H65B H 1.0098 1.0665 0.5693 0.064 Uiso 0.50 1 calc PR . .
H1A H 0.634(7) 0.669(7) 0.6733(5) 0.064 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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'
B B 0.0013 0.0007 '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
N3 As1 B1 113.6(3) . .
N3 Si1 C62 112.2(3) . .
N3 Si1 C60 110.0(3) . .
C62 Si1 C60 105.2(4) . .
N3 Si1 C61 107.5(3) . .
C62 Si1 C61 111.8(4) . .
C60 Si1 C61 110.3(4) . .
C1 N1 C3 121.7(7) . .
C1 N1 B1 109.2(7) . .
C3 N1 B1 128.2(6) . .
C2 C1 N1 109.3(8) . .
N2 B1 N1 102.5(6) . .
N2 B1 As1 143.8(6) . .
N1 B1 As1 111.5(5) . .
C2 N2 C15 119.3(6) . .
C2 N2 B1 109.1(6) . .
C15 N2 B1 131.1(6) . .
C1 C2 N2 109.9(7) . .
C27 N3 Si1 122.4(4) . .
C27 N3 As1 108.2(4) . .
Si1 N3 As1 129.4(3) . .
C4 C3 C8 124.9(7) . .
C4 C3 N1 117.6(6) . .
C8 C3 N1 117.4(7) . .
C3 C4 C5 118.5(7) . .
C3 C4 C12 123.2(7) . .
C5 C4 C12 118.3(7) . .
C4 C5 C6 118.9(8) . .
C7 C6 C5 121.1(8) . .
C6 C7 C8 120.3(7) . .
C3 C8 C7 116.3(7) . .
C3 C8 C9 124.9(7) . .
C7 C8 C9 118.8(7) . .
C8 C9 C11 111.4(6) . .
C8 C9 C10 111.6(7) . .
C11 C9 C10 111.1(7) . .
C4 C12 C13 112.8(7) . .
C4 C12 C14 111.5(7) . .
C13 C12 C14 111.2(7) . .
C16 C15 C20 122.7(7) . .
C16 C15 N2 117.5(7) . .
C20 C15 N2 119.5(7) . .
C15 C16 C17 116.4(7) . .
C15 C16 C24 124.5(7) . .
C17 C16 C24 119.2(8) . .
C18 C17 C16 121.1(9) . .
C19 C18 C17 121.1(8) . .
C18 C19 C20 121.4(8) . .
C19 C20 C15 117.2(8) . .
C19 C20 C21 120.2(7) . .
C15 C20 C21 122.6(7) . .
C20 C21 C23 115.0(8) . .
C20 C21 C22 112.3(7) . .
C23 C21 C22 107.5(7) . .
C16 C24 C26 111.5(6) . .
C16 C24 C25 112.5(7) . .
C26 C24 C25 110.3(7) . .
C28 C27 N3 121.8(6) . .
C28 C27 C32 118.8(7) . .
N3 C27 C32 119.5(6) . .
C29 C28 C27 119.2(6) . .
C29 C28 C46 119.5(6) . .
C27 C28 C46 121.1(6) . .
C30 C29 C28 123.2(6) . .
C29 C30 C31 117.0(7) . .
C29 C30 C59 121.6(7) . .
C31 C30 C59 121.3(7) . .
C32 C31 C30 123.8(7) . .
C31 C32 C27 117.8(6) . .
C31 C32 C33 120.1(6) . .
C27 C32 C33 122.1(6) . .
C34 C33 C32 114.0(6) . .
C34 C33 C40 112.4(5) . .
C32 C33 C40 110.5(6) . .
C39 C34 C35 116.8(7) . .
C39 C34 C33 118.8(7) . .
C35 C34 C33 124.3(7) . .
C36 C35 C34 121.5(7) . .
C37 C36 C35 120.6(7) . .
C36 C37 C38 119.8(8) . .
C37 C38 C39 120.5(8) . .
C38 C39 C34 120.7(8) . .
C41 C40 C45 117.7(8) . .
C41 C40 C33 122.3(7) . .
C45 C40 C33 119.8(6) . .
C42 C41 C40 120.8(8) . .
C41 C42 C43 120.5(8) . .
C44 C43 C42 118.3(8) . .
C43 C44 C45 121.6(8) . .
C44 C45 C40 120.8(7) . .
C53 C46 C28 109.9(6) . .
C53 C46 C47 112.4(6) . .
C28 C46 C47 114.4(6) . .
C48 C47 C52 117.5(8) . .
C48 C47 C46 124.1(7) . .
C52 C47 C46 118.4(7) . .
C47 C48 C49 119.8(8) . .
C50 C49 C48 121.6(9) . .
C49 C50 C51 118.6(9) . .
C52 C51 C50 119.8(8) . .
C51 C52 C47 122.7(8) . .
C58 C53 C54 117.6(7) . .
C58 C53 C46 122.7(7) . .
C54 C53 C46 119.7(7) . .
C55 C54 C53 122.1(8) . .
C56 C55 C54 121.1(9) . .
C55 C56 C57 118.6(8) . .
C56 C57 C58 121.0(8) . .
C53 C58 C57 119.6(8) . .
C63 C64 C65 112.6(7) . .
C64 C65 C65 110.6(7) . 2_776
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 N3 1.877(6) .
As1 B1 2.042(9) .
Si1 N3 1.743(6) .
Si1 C62 1.858(8) .
Si1 C60 1.867(8) .
Si1 C61 1.872(8) .
N1 C1 1.390(10) .
N1 C3 1.450(9) .
N1 B1 1.468(10) .
C1 C2 1.347(12) .
B1 N2 1.455(10) .
N2 C2 1.393(9) .
N2 C15 1.437(9) .
N3 C27 1.449(9) .
C3 C4 1.386(10) .
C3 C8 1.402(10) .
C4 C5 1.411(11) .
C4 C12 1.508(10) .
C5 C6 1.419(12) .
C6 C7 1.413(12) .
C7 C8 1.425(11) .
C8 C9 1.493(11) .
C9 C11 1.516(11) .
C9 C10 1.537(11) .
C12 C13 1.519(12) .
C12 C14 1.534(10) .
C15 C16 1.409(11) .
C15 C20 1.416(10) .
C16 C17 1.419(11) .
C16 C24 1.504(11) .
C17 C18 1.377(12) .
C18 C19 1.364(12) .
C19 C20 1.397(11) .
C20 C21 1.499(12) .
C21 C23 1.500(11) .
C21 C22 1.550(11) .
C24 C26 1.517(11) .
C24 C25 1.530(11) .
C27 C28 1.406(9) .
C27 C32 1.450(9) .
C28 C29 1.386(10) .
C28 C46 1.530(9) .
C29 C30 1.378(10) .
C30 C31 1.386(10) .
C30 C59 1.509(11) .
C31 C32 1.379(10) .
C32 C33 1.529(10) .
C33 C34 1.527(10) .
C33 C40 1.530(10) .
C34 C39 1.401(10) .
C34 C35 1.412(10) .
C35 C36 1.368(10) .
C36 C37 1.366(11) .
C37 C38 1.379(11) .
C38 C39 1.386(11) .
C40 C41 1.386(10) .
C40 C45 1.399(11) .
C41 C42 1.386(11) .
C42 C43 1.394(12) .
C43 C44 1.367(11) .
C44 C45 1.370(11) .
C46 C53 1.514(10) .
C46 C47 1.531(10) .
C47 C48 1.372(11) .
C47 C52 1.388(10) .
C48 C49 1.387(12) .
C49 C50 1.370(13) .
C50 C51 1.374(12) .
C51 C52 1.352(11) .
C53 C58 1.386(10) .
C53 C54 1.391(11) .
C54 C55 1.385(11) .
C55 C56 1.344(12) .
C56 C57 1.399(12) .
C57 C58 1.413(11) .
C63 C64 1.506(8) .
C64 C65 1.520(8) .
C65 C65 1.545(8) 2_776
