#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:19:37 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300612 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/41/1574106.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_1574106
loop_
_publ_author_name
'Phang, Si Jia Isabel'
'Zhang, Zheng-Feng'
'Su, Ming-Der'
'So, Cheuk-Wai'
_publ_section_title
;
 An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing
 a base-stabilised BSi double bond
;
_journal_issue                   16
_journal_name_full               'Chemical Science'
_journal_page_first              6763
_journal_page_last               6769
_journal_paper_doi               10.1039/D5SC00047E
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C47 H61 B Ir N2 P Si'
_chemical_formula_weight         916.04
_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   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2024-10-29 deposited with the CCDC.	2025-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.735(4)
_cell_angle_beta                 105.707(4)
_cell_angle_gamma                98.278(4)
_cell_formula_units_Z            4
_cell_length_a                   15.2155(19)
_cell_length_b                   15.695(2)
_cell_length_c                   18.597(2)
_cell_measurement_reflns_used    9799
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      27.0745
_cell_measurement_theta_min      2.2708
_cell_volume                     4224.5(9)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'APEX4 (Ver 2021.4-0, Bruker AXS Inc., 2021)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1242)'
_computing_publication_material  'APEX4 (Ver 2021.4-0, Bruker AXS Inc., 2021)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Multilayer Mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1601
_diffrn_reflns_av_unetI/netI     0.0869
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            135351
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.04
_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Bruker D8 Quest'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    3.261
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.33
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.272
_refine_diff_density_min         -1.339
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     971
_refine_ls_number_reflns         18422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0078P)²+13.2402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1244
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13299
_reflns_number_total             18422
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc00047e2.cif
_cod_data_source_block           scw3260m
_cod_depositor_comments
;
The following automatic conversions were performed:

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

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

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

 Adding full bibliography for 1574102--1574107.cif.
;
_cod_database_code               1574106
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.3625(4) 0.4205(4) 0.0944(3) 0.0310(13) Uani d . . . 1 . .
H H1A 0.318980 0.369267 0.099626 0.037000 Uiso calc U . R 1 . .
H H1B 0.326311 0.461197 0.063504 0.037000 Uiso calc U . R 1 . .
C C2 0.4316(4) 0.3928(4) 0.0544(3) 0.0328(14) Uani d . . . 1 . .
H H2 0.473838 0.446129 0.049688 0.039000 Uiso calc U . R 1 . .
C C01G 0.9726(4) 0.7409(4) 0.5812(3) 0.0323(13) Uani d . . . 1 . .
H H01G 0.941814 0.721121 0.530913 0.039000 Uiso calc U . R 1 . .
C C3 0.4907(4) 0.3341(4) 0.1037(3) 0.0296(13) Uani d . . . 1 . .
C C4 0.4921(4) 0.2502(4) 0.0813(3) 0.0319(13) Uani d . . . 1 . .
H H4 0.459006 0.228857 0.031973 0.038000 Uiso calc U . R 1 . .
C C5 0.5419(5) 0.1964(4) 0.1307(4) 0.0371(15) Uani d . . . 1 . .
H H5 0.544026 0.139334 0.114330 0.045000 Uiso calc U . R 1 . .
C C6 0.5880(4) 0.2262(4) 0.2032(3) 0.0317(13) Uani d . . . 1 . .
H H6 0.619597 0.188318 0.236717 0.038000 Uiso calc U . R 1 . .
C C7 0.5893(4) 0.3108(4) 0.2285(3) 0.0285(13) Uani d . . . 1 . .
C C8 0.5418(4) 0.3655(4) 0.1768(3) 0.0275(12) Uani d . . . 1 . .
C C9 0.6369(4) 0.3395(4) 0.3092(3) 0.0305(13) Uani d . . . 1 . .
H H9 0.641710 0.403601 0.314387 0.037000 Uiso calc U . R 1 . .
C C10 0.5792(5) 0.2990(4) 0.3607(4) 0.0384(15) Uani d . . . 1 . .
H H10A 0.609841 0.319640 0.412680 0.058000 Uiso calc U . R 1 . .
H H10B 0.573784 0.236044 0.356506 0.058000 Uiso calc U . R 1 . .
H H10C 0.517457 0.315735 0.345559 0.058000 Uiso calc U . R 1 . .
C C11 0.7355(4) 0.3161(4) 0.3345(4) 0.0377(15) Uani d . . . 1 . .
H H11A 0.766968 0.342309 0.384648 0.057000 Uiso calc U . R 1 . .
H H11B 0.770092 0.337816 0.299375 0.057000 Uiso calc U . R 1 . .
H H11C 0.731911 0.253284 0.335493 0.057000 Uiso calc U . R 1 . .
C C12 0.6161(4) 0.5138(4) 0.2177(3) 0.0254(12) Uani d . . . 1 . .
C C13 0.7037(4) 0.4940(4) 0.2014(3) 0.0274(12) Uani d . . . 1 . .
C C14 0.7865(4) 0.5134(4) 0.2561(3) 0.0299(13) Uani d . . . 1 . .
H H14 0.787335 0.535344 0.304209 0.036000 Uiso calc U . R 1 . .
C C15 0.8691(4) 0.5009(4) 0.2413(4) 0.0345(14) Uani d . . . 1 . .
H H15 0.925605 0.512705 0.279747 0.041000 Uiso calc U . R 1 . .
C C16 0.8689(4) 0.4718(4) 0.1717(4) 0.0349(14) Uani d . . . 1 . .
H H16 0.925372 0.465833 0.160912 0.042000 Uiso calc U . R 1 . .
C C17 0.7857(5) 0.4510(4) 0.1170(4) 0.0378(15) Uani d . . . 1 . .
H H17 0.785547 0.429652 0.068962 0.045000 Uiso calc U . R 1 . .
C C18 0.7030(4) 0.4608(4) 0.1309(4) 0.0323(13) Uani d . . . 1 . .
H H18 0.646403 0.445209 0.093119 0.039000 Uiso calc U . R 1 . .
C C19 0.5004(4) 0.5066(4) 0.3656(3) 0.0318(13) Uani d . . . 1 . .
H H19A 0.498549 0.490877 0.416601 0.038000 Uiso calc U . R 1 . .
H H19B 0.538742 0.468492 0.349362 0.038000 Uiso calc U . R 1 . .
C C20 0.5528(4) 0.5993(4) 0.3725(3) 0.0308(13) Uani d . . . 1 . .
C C21 0.6541(4) 0.5977(4) 0.4171(3) 0.0364(14) Uani d . . . 1 . .
H H21A 0.655762 0.571788 0.464998 0.055000 Uiso calc U . R 1 . .
H H21B 0.687602 0.656765 0.426229 0.055000 Uiso calc U . R 1 . .
H H21C 0.683334 0.563596 0.388315 0.055000 Uiso calc U . R 1 . .
C C22 0.5099(4) 0.6590(4) 0.4148(3) 0.0332(14) Uani d . . . 1 . .
H H22A 0.501269 0.632007 0.460190 0.050000 Uiso calc U . R 1 . .
H H22B 0.449919 0.668797 0.382727 0.050000 Uiso calc U . R 1 . .
H H22C 0.551033 0.714203 0.428623 0.050000 Uiso calc U . R 1 . .
C C23 0.5826(4) 0.7512(4) 0.2701(3) 0.0314(13) Uani d . . . 1 . .
C C24 0.5952(4) 0.7628(4) 0.1915(3) 0.0327(14) Uani d . . . 1 . .
H H24A 0.617965 0.823498 0.186436 0.049000 Uiso calc U . R 1 . .
H H24B 0.535717 0.745460 0.154004 0.049000 Uiso calc U . R 1 . .
H H24C 0.639812 0.726956 0.183729 0.049000 Uiso calc U . R 1 . .
C C25 0.5108(4) 0.8056(4) 0.2812(4) 0.0353(14) Uani d . . . 1 . .
H H25A 0.532725 0.866629 0.276859 0.053000 Uiso calc U . R 1 . .
H H25B 0.501547 0.797252 0.330967 0.053000 Uiso calc U . R 1 . .
H H25C 0.452121 0.787665 0.242972 0.053000 Uiso calc U . R 1 . .
C C26 0.6762(4) 0.7808(4) 0.3272(4) 0.0372(15) Uani d . . . 1 . .
H H26A 0.700893 0.839208 0.317094 0.056000 Uiso calc U . R 1 . .
H H26B 0.719351 0.741369 0.323160 0.056000 Uiso calc U . R 1 . .
H H26C 0.668371 0.780638 0.377768 0.056000 Uiso calc U . R 1 . .
C C27 0.3580(4) 0.6500(4) 0.1593(3) 0.0284(12) Uani d . . . 1 . .
C C28 0.3678(4) 0.6586(4) 0.0869(3) 0.0325(14) Uani d . . . 1 . .
H H28 0.409321 0.627351 0.071740 0.039000 Uiso calc U . R 1 . .
C C29 0.3190(5) 0.7111(4) 0.0364(4) 0.0363(15) Uani d . . . 1 . .
H H29 0.328806 0.716358 -0.011737 0.044000 Uiso calc U . R 1 . .
C C30 0.2559(4) 0.7558(4) 0.0563(4) 0.0378(15) Uani d . . . 1 . .
H H30 0.222598 0.792017 0.022057 0.045000 Uiso calc U . R 1 . .
C C31 0.2424(5) 0.7468(4) 0.1268(4) 0.0403(16) Uani d . . . 1 . .
H H31 0.198558 0.776277 0.140673 0.048000 Uiso calc U . R 1 . .
C C32 0.2925(4) 0.6950(4) 0.1773(3) 0.0313(13) Uani d . . . 1 . .
H H32 0.282186 0.689885 0.225338 0.038000 Uiso calc U . R 1 . .
C C33 0.3088(5) 0.4930(4) 0.3868(4) 0.0384(15) Uani d . . . 1 . .
H H33 0.352020 0.531782 0.428464 0.046000 Uiso calc U . R 1 . .
C C34 0.3317(5) 0.4082(4) 0.3837(3) 0.0385(15) Uani d . . . 1 . .
H H34 0.387642 0.399105 0.424122 0.046000 Uiso calc U . R 1 . .
C C35 0.2596(5) 0.3277(4) 0.3612(4) 0.0463(18) Uani d . . . 1 . .
H H35A 0.290982 0.277369 0.357806 0.056000 Uiso calc U . R 1 . .
H H35B 0.227082 0.317738 0.400512 0.056000 Uiso calc U . R 1 . .
C C036 0.3829(5) 0.3551(5) -0.0245(4) 0.0454(17) Uani d . . . 1 . .
H H03A 0.428858 0.341100 -0.049004 0.068000 Uiso calc U . R 1 . .
H H03B 0.348032 0.397322 -0.053021 0.068000 Uiso calc U . R 1 . .
H H03C 0.340453 0.302605 -0.022156 0.068000 Uiso calc U . R 1 . .
C C36 0.1894(5) 0.3344(4) 0.2871(4) 0.0407(16) Uani d . . . 1 . .
H H36A 0.134552 0.354296 0.296732 0.049000 Uiso calc U . R 1 . .
H H36B 0.169256 0.276361 0.261533 0.049000 Uiso calc U . R 1 . .
C C37 0.2256(4) 0.3953(4) 0.2356(4) 0.0360(15) Uani d . . . 1 . .
H H37 0.222963 0.367972 0.186081 0.043000 Uiso calc U . R 1 . .
C C38 0.2164(4) 0.4825(4) 0.2340(4) 0.0378(15) Uani d . . . 1 . .
H H38 0.207773 0.506400 0.183381 0.045000 Uiso calc U . R 1 . .
C C39 0.1719(5) 0.5264(4) 0.2842(4) 0.0437(17) Uani d . . . 1 . .
H H39A 0.104520 0.505787 0.268507 0.052000 Uiso calc U . R 1 . .
H H39B 0.181279 0.589238 0.277607 0.052000 Uiso calc U . R 1 . .
C C40 0.2093(5) 0.5107(4) 0.3671(4) 0.0476(19) Uani d . . . 1 . .
H H40A 0.206234 0.561969 0.397372 0.057000 Uiso calc U . R 1 . .
H H40B 0.169753 0.460979 0.380095 0.057000 Uiso calc U . R 1 . .
C C41 0.8481(4) 0.9175(4) 0.5879(3) 0.0330(14) Uani d . . . 1 . .
H H41A 0.801057 0.867121 0.588685 0.040000 Uiso calc U . R 1 . .
H H41B 0.816688 0.960782 0.556805 0.040000 Uiso calc U . R 1 . .
C C42 0.9217(4) 0.8888(4) 0.5530(3) 0.0337(14) Uani d . . . 1 . .
H H42 0.967728 0.941050 0.552598 0.040000 Uiso calc U . R 1 . .
C C43 0.8804(5) 0.8542(5) 0.4734(4) 0.0431(16) Uani d . . . 1 . .
H H43A 0.929231 0.838312 0.453057 0.065000 Uiso calc U . R 1 . .
H H43B 0.850874 0.898556 0.443473 0.065000 Uiso calc U . R 1 . .
H H43C 0.834249 0.803275 0.471791 0.065000 Uiso calc U . R 1 . .
C C44 0.9728(4) 0.8251(4) 0.6039(3) 0.0289(13) Uani d . . . 1 . .
C C45 1.0158(4) 0.6853(4) 0.6298(4) 0.0359(15) Uani d . . . 1 . .
H H45 1.015761 0.628024 0.612635 0.043000 Uiso calc U . R 1 . .
C C46 1.0597(4) 0.7116(4) 0.7039(4) 0.0325(13) Uani d . . . 1 . .
H H46 1.088512 0.671995 0.737154 0.039000 Uiso calc U . R 1 . .
C C47 1.0619(4) 0.7966(4) 0.7301(3) 0.0296(13) Uani d . . . 1 . .
C C48 1.0197(4) 0.8538(4) 0.6783(3) 0.0280(12) Uani d . . . 1 . .
C C49 1.1053(4) 0.8210(4) 0.8122(4) 0.0328(14) Uani d . . . 1 . .
H H49 1.109014 0.884788 0.819492 0.039000 Uiso calc U . R 1 . .
C C50 1.0450(5) 0.7776(4) 0.8595(4) 0.0389(15) Uani d . . . 1 . .
H H50A 1.071093 0.798724 0.911867 0.058000 Uiso calc U . R 1 . .
H H50B 1.043168 0.714982 0.855750 0.058000 Uiso calc U . R 1 . .
H H50C 0.982203 0.791304 0.841123 0.058000 Uiso calc U . R 1 . .
C C51 1.2031(5) 0.7995(4) 0.8389(4) 0.0386(15) Uani d . . . 1 . .
H H51A 1.232028 0.823542 0.890129 0.058000 Uiso calc U . R 1 . .
H H51B 1.239453 0.824381 0.805925 0.058000 Uiso calc U . R 1 . .
H H51C 1.200846 0.736758 0.837679 0.058000 Uiso calc U . R 1 . .
C C52 1.0969(4) 1.0007(4) 0.7253(3) 0.0267(12) Uani d . . . 1 . .
C C53 1.1850(4) 0.9799(4) 0.7113(3) 0.0287(13) Uani d . . . 1 . .
C C54 1.1878(4) 0.9491(4) 0.6418(4) 0.0331(14) Uani d . . . 1 . .
H H54 1.132071 0.934164 0.602976 0.040000 Uiso calc U . R 1 . .
C C55 1.2712(4) 0.9401(4) 0.6288(4) 0.0370(15) Uani d . . . 1 . .
H H55 1.272606 0.920564 0.580660 0.044000 Uiso calc U . R 1 . .
C C56 1.3528(4) 0.9592(4) 0.6853(4) 0.0357(15) Uani d . . . 1 . .
H H56 1.409960 0.953057 0.675908 0.043000 Uiso calc U . R 1 . .
C C57 1.3508(4) 0.9872(4) 0.7551(4) 0.0339(14) Uani d . . . 1 . .
H H57 1.406457 0.998470 0.794541 0.041000 Uiso calc U . R 1 . .
C C58 1.2668(4) 0.9992(4) 0.7682(3) 0.0313(13) Uani d . . . 1 . .
H H58 1.265757 1.020470 0.816011 0.038000 Uiso calc U . R 1 . .
C C59 0.9619(4) 0.9877(4) 0.8617(3) 0.0339(14) Uani d . . . 1 . .
H H59A 0.953275 0.969571 0.910430 0.041000 Uiso calc U . R 1 . .
H H59B 0.999770 0.948134 0.846862 0.041000 Uiso calc U . R 1 . .
C C60 1.0212(4) 1.0787(4) 0.8761(3) 0.0319(13) Uani d . . . 1 . .
C C61 0.9801(5) 1.1376(4) 0.9199(4) 0.0362(14) Uani d . . . 1 . .
H H61A 0.972984 1.110294 0.965448 0.054000 Uiso calc U . R 1 . .
H H61B 0.919594 1.147550 0.888886 0.054000 Uiso calc U . R 1 . .
H H61C 1.021369 1.192838 0.933309 0.054000 Uiso calc U . R 1 . .
C C62 1.1198(4) 1.0684(4) 0.9230(4) 0.0370(15) Uani d . . . 1 . .
H H62A 1.116302 1.038815 0.968443 0.055000 Uiso calc U . R 1 . .
H H62B 1.157369 1.125421 0.936742 0.055000 Uiso calc U . R 1 . .
H H62C 1.148215 1.034414 0.893423 0.055000 Uiso calc U . R 1 . .
C C63 1.0673(4) 1.2368(4) 0.7851(4) 0.0322(14) Uani d . . . 1 . .
C C64 0.9953(4) 1.2922(4) 0.7965(4) 0.0334(14) Uani d . . . 1 . .
H H64A 1.017197 1.353100 0.791442 0.050000 Uiso calc U . R 1 . .
H H64B 0.986885 1.284614 0.846578 0.050000 Uiso calc U . R 1 . .
H H64C 0.936287 1.274007 0.758798 0.050000 Uiso calc U . R 1 . .
C C65 1.1587(4) 1.2610(4) 0.8463(4) 0.0384(15) Uani d . . . 1 . .
H H65A 1.186005 1.320191 0.840729 0.058000 Uiso calc U . R 1 . .
H H65B 1.201406 1.221425 0.841811 0.058000 Uiso calc U . R 1 . .
H H65C 1.147014 1.256939 0.895556 0.058000 Uiso calc U . R 1 . .
C C66 1.0852(5) 1.2537(4) 0.7088(4) 0.0366(15) Uani d . . . 1 . .
H H66A 1.109351 1.314771 0.707299 0.055000 Uiso calc U . R 1 . .
H H66B 1.027303 1.238581 0.669114 0.055000 Uiso calc U . R 1 . .
H H66C 1.130443 1.218350 0.701211 0.055000 Uiso calc U . R 1 . .
C C67 0.8497(4) 1.1445(4) 0.6545(3) 0.0276(12) Uani d . . . 1 . .
C C68 0.8727(4) 1.1519(4) 0.5866(3) 0.0322(13) Uani d . . . 1 . .
H H68 0.916344 1.118743 0.577131 0.039000 Uiso calc U . R 1 . .
C C69 0.8339(5) 1.2063(4) 0.5327(4) 0.0388(16) Uani d . . . 1 . .
H H69 0.853084 1.211820 0.488276 0.047000 Uiso calc U . R 1 . .
C C70 0.7671(5) 1.2524(4) 0.5438(4) 0.0421(17) Uani d . . . 1 . .
H H70 0.739389 1.288754 0.506580 0.050000 Uiso calc U . R 1 . .
C C71 0.7412(5) 1.2451(4) 0.6093(4) 0.0397(16) Uani d . . . 1 . .
H H71 0.695505 1.276632 0.617153 0.048000 Uiso calc U . R 1 . .
C C72 0.7811(4) 1.1924(4) 0.6634(4) 0.0332(14) Uani d . . . 1 . .
H H72 0.761893 1.188123 0.707990 0.040000 Uiso calc U . R 1 . .
C C73 0.7632(5) 0.9859(5) 0.8681(4) 0.0471(18) Uani d . . . 1 . .
H H73 0.803281 1.022660 0.912503 0.057000 Uiso calc U . R 1 . .
C C74 0.7804(5) 0.9000(4) 0.8665(4) 0.0409(16) Uani d . . . 1 . .
H H74 0.831178 0.888141 0.910385 0.049000 Uiso calc U . R 1 . .
C C75 0.7073(5) 0.8223(5) 0.8383(4) 0.0518(19) Uani d . . . 1 . .
H H75A 0.668643 0.812702 0.873449 0.062000 Uiso calc U . R 1 . .
H H75B 0.737519 0.770759 0.837023 0.062000 Uiso calc U . R 1 . .
C C76 0.6454(5) 0.8332(5) 0.7602(5) 0.051(2) Uani d . . . 1 . .
H H76A 0.623974 0.775889 0.733383 0.061000 Uiso calc U . R 1 . .
H H76B 0.590351 0.856993 0.765008 0.061000 Uiso calc U . R 1 . .
C C77 0.6944(4) 0.8925(4) 0.7140(4) 0.0410(16) Uani d . . . 1 . .
H H77 0.697218 0.864730 0.666167 0.049000 Uiso calc U . R 1 . .
C C78 0.6896(4) 0.9798(4) 0.7112(4) 0.0411(16) Uani d . . . 1 . .
H H78 0.689438 1.003875 0.661637 0.049000 Uiso calc U . R 1 . .
C C79 0.6416(5) 1.0281(4) 0.7564(4) 0.0458(18) Uani d . . . 1 . .
H H79A 0.658042 1.090717 0.751798 0.055000 Uiso calc U . R 1 . .
H H79B 0.573934 1.012762 0.734861 0.055000 Uiso calc U . R 1 . .
C C80 0.6657(5) 1.0094(5) 0.8384(5) 0.0499(19) Uani d . . . 1 . .
H H80A 0.620152 0.961233 0.846125 0.060000 Uiso calc U . R 1 . .
H H80B 0.660871 1.060800 0.867651 0.060000 Uiso calc U . R 1 . .
C C81 0.4366(6) 0.0500(5) -0.0392(4) 0.0478(18) Uani d . . . 1 . .
H H81 0.393280 0.084077 -0.066203 0.057000 Uiso calc U . R 1 . .
C C82 0.5284(5) 0.0687(5) -0.0379(4) 0.0454(17) Uani d . . . 1 . .
H H82 0.548205 0.116189 -0.063921 0.055000 Uiso calc U . R 1 . .
C C83 0.5919(6) 0.0191(5) 0.0009(4) 0.0516(19) Uani d . . . 1 . .
H H83 0.654923 0.032224 0.001188 0.062000 Uiso calc U . R 1 . .
C C84 0.0947(5) 0.5098(5) 0.5113(4) 0.0473(18) Uani d . . . 1 . .
H H84 0.159665 0.516547 0.518928 0.057000 Uiso calc U . R 1 . .
C C85 0.0510(5) 0.4465(4) 0.5472(4) 0.0431(17) Uani d . . . 1 . .
H H85 0.085923 0.409816 0.579750 0.052000 Uiso calc U . R 1 . .
C C86 -0.0433(5) 0.4378(5) 0.5350(4) 0.0461(18) Uani d . . . 1 . .
H H86 -0.073205 0.394539 0.559217 0.055000 Uiso calc U . R 1 . .
C C87 0.9350(6) 0.5487(6) 0.9646(5) 0.074(3) Uani d . . . 1 . .
H H87 0.890154 0.582627 0.939754 0.089000 Uiso calc U . R 1 . .
C C88 1.0232(6) 0.5885(6) 1.0020(4) 0.062(2) Uani d . . . 1 . .
H H88 1.038554 0.649431 1.003331 0.074000 Uiso calc U . R 1 . .
C C89 1.0883(6) 0.5395(6) 1.0370(5) 0.061(2) Uani d . . . 1 . .
H H89 1.149105 0.566357 1.062326 0.073000 Uiso calc U . R 1 . .
C C90 0.5688(7) 0.9551(7) 0.4925(7) 0.089(4) Uani d . . . 1 . .
H H90 0.615544 0.924357 0.485532 0.106000 Uiso calc U . R 1 . .
C C91 0.4776(7) 0.9137(7) 0.4804(6) 0.080(3) Uani d . . . 1 . .
H H91 0.463091 0.853373 0.468656 0.096000 Uiso calc U . R 1 . .
C C92 0.4110(6) 0.9586(6) 0.4851(4) 0.058(2) Uani d . . . 1 . .
H H92 0.348772 0.930611 0.472828 0.070000 Uiso calc U . R 1 . .
B B1 0.4175(5) 0.5940(4) 0.2197(4) 0.0272(14) Uani d . . . 1 . .
B B2 0.8984(5) 1.0861(4) 0.7182(4) 0.0266(14) Uani d . . . 1 . .
Ir Ir1 0.36318(2) 0.47395(2) 0.29426(2) 0.02852(7) Uani d . . . 1 . .
Ir Ir2 0.82987(2) 0.96412(2) 0.78300(2) 0.02960(8) Uani d . . . 1 . .
N N1 0.5383(3) 0.4528(3) 0.1975(3) 0.0267(10) Uani d . . . 1 . .
N N2 0.6242(3) 0.5902(3) 0.2489(3) 0.0284(11) Uani d . . . 1 . .
N N3 1.0179(3) 0.9414(3) 0.7014(3) 0.0263(10) Uani d . . . 1 . .
N N4 1.1049(3) 1.0754(3) 0.7587(3) 0.0309(11) Uani d . . . 1 . .
P P1 0.54289(10) 0.63404(9) 0.27579(8) 0.0262(3) Uani d . . . 1 . .
P P2 1.02168(11) 1.11978(9) 0.78258(9) 0.0265(3) Uani d . . . 1 . .
Si Si1 0.42332(11) 0.47343(10) 0.18922(9) 0.0254(3) Uani d . . . 1 . .
Si Si2 0.90298(11) 0.96526(10) 0.68644(9) 0.0267(3) Uani d . . . 1 . .
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'
Ir Ir -1.4442 7.9887 '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'
P P 0.1023 0.0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 Si1 . . 111.6(4) ?
C036 C2 C3 . . 114.4(5) ?
C036 C2 C1 . . 111.7(5) ?
C3 C2 C1 . . 109.4(5) ?
C45 C01G C44 . . 121.2(6) ?
C4 C3 C8 . . 119.1(6) ?
C4 C3 C2 . . 122.6(5) ?
C8 C3 C2 . . 118.2(5) ?
C3 C4 C5 . . 120.6(6) ?
C6 C5 C4 . . 120.0(6) ?
C5 C6 C7 . . 121.6(6) ?
C6 C7 C8 . . 117.6(5) ?
C6 C7 C9 . . 119.8(5) ?
C8 C7 C9 . . 122.6(5) ?
C3 C8 C7 . . 121.0(5) ?
C3 C8 N1 . . 117.1(5) ?
C7 C8 N1 . . 121.8(5) ?
C7 C9 C11 . . 111.9(5) ?
C7 C9 C10 . . 110.3(5) ?
C11 C9 C10 . . 109.8(5) ?
N2 C12 N1 . . 127.2(5) ?
N2 C12 C13 . . 113.9(5) ?
N1 C12 C13 . . 118.8(5) ?
C14 C13 C18 . . 119.4(6) ?
C14 C13 C12 . . 119.0(5) ?
C18 C13 C12 . . 121.6(5) ?
C13 C14 C15 . . 120.4(6) ?
C16 C15 C14 . . 120.2(6) ?
C15 C16 C17 . . 119.4(6) ?
C18 C17 C16 . . 121.4(6) ?
C17 C18 C13 . . 119.1(6) ?
C20 C19 Ir1 . . 121.1(4) ?
C22 C20 C19 . . 110.0(5) ?
C22 C20 C21 . . 109.2(5) ?
C19 C20 C21 . . 107.9(5) ?
C22 C20 P1 . . 110.6(4) ?
C19 C20 P1 . . 107.0(4) ?
C21 C20 P1 . . 112.1(4) ?
C25 C23 C26 . . 110.5(5) ?
C25 C23 C24 . . 109.3(5) ?
C26 C23 C24 . . 108.0(5) ?
C25 C23 P1 . . 111.2(4) ?
C26 C23 P1 . . 111.0(4) ?
C24 C23 P1 . . 106.6(4) ?
C28 C27 C32 . . 116.0(6) ?
C28 C27 B1 . . 123.3(5) ?
C32 C27 B1 . . 120.7(5) ?
C29 C28 C27 . . 122.5(6) ?
C28 C29 C30 . . 120.1(6) ?
C31 C30 C29 . . 119.0(6) ?
C30 C31 C32 . . 120.4(6) ?
C31 C32 C27 . . 121.9(6) ?
C34 C33 C40 . . 122.7(6) ?
C34 C33 Ir1 . . 68.8(3) ?
C40 C33 Ir1 . . 115.8(5) ?
C33 C34 C35 . . 123.2(7) ?
C33 C34 Ir1 . . 71.8(4) ?
C35 C34 Ir1 . . 114.9(4) ?
C36 C35 C34 . . 112.7(6) ?
C35 C36 C37 . . 113.6(6) ?
C38 C37 C36 . . 123.2(6) ?
C38 C37 Ir1 . . 71.2(4) ?
C36 C37 Ir1 . . 112.1(4) ?
C37 C38 C39 . . 123.9(6) ?
C37 C38 Ir1 . . 72.6(4) ?
C39 C38 Ir1 . . 110.2(5) ?
C38 C39 C40 . . 113.9(6) ?
C33 C40 C39 . . 112.5(6) ?
C42 C41 Si2 . . 111.0(4) ?
C43 C42 C44 . . 113.4(5) ?
C43 C42 C41 . . 112.0(5) ?
C44 C42 C41 . . 108.7(5) ?
C01G C44 C48 . . 118.8(6) ?
C01G C44 C42 . . 123.4(5) ?
C48 C44 C42 . . 117.7(5) ?
C01G C45 C46 . . 120.8(6) ?
C45 C46 C47 . . 120.4(6) ?
C46 C47 C48 . . 117.9(5) ?
C46 C47 C49 . . 118.7(6) ?
C48 C47 C49 . . 123.4(5) ?
C44 C48 C47 . . 120.9(5) ?
C44 C48 N3 . . 118.0(5) ?
C47 C48 N3 . . 121.0(5) ?
C47 C49 C51 . . 111.9(5) ?
C47 C49 C50 . . 110.8(5) ?
C51 C49 C50 . . 110.6(5) ?
N4 C52 N3 . . 126.7(5) ?
N4 C52 C53 . . 114.6(5) ?
N3 C52 C53 . . 118.7(5) ?
C54 C53 C58 . . 119.3(6) ?
C54 C53 C52 . . 122.0(5) ?
C58 C53 C52 . . 118.5(5) ?
C55 C54 C53 . . 120.3(6) ?
C54 C55 C56 . . 120.6(6) ?
C57 C56 C55 . . 119.7(6) ?
C56 C57 C58 . . 120.1(6) ?
C53 C58 C57 . . 119.9(6) ?
C60 C59 Ir2 . . 122.0(4) ?
C61 C60 C62 . . 109.4(5) ?
C61 C60 C59 . . 110.0(5) ?
C62 C60 C59 . . 107.7(5) ?
C61 C60 P2 . . 111.6(4) ?
C62 C60 P2 . . 111.4(4) ?
C59 C60 P2 . . 106.6(4) ?
C65 C63 C66 . . 108.6(5) ?
C65 C63 C64 . . 110.2(5) ?
C66 C63 C64 . . 109.3(5) ?
C65 C63 P2 . . 111.6(4) ?
C66 C63 P2 . . 106.4(4) ?
C64 C63 P2 . . 110.6(4) ?
C68 C67 C72 . . 116.1(6) ?
C68 C67 B2 . . 122.0(5) ?
C72 C67 B2 . . 121.9(5) ?
C69 C68 C67 . . 122.0(6) ?
C70 C69 C68 . . 120.1(6) ?
C71 C70 C69 . . 119.3(6) ?
C72 C71 C70 . . 120.6(6) ?
C71 C72 C67 . . 121.8(6) ?
C74 C73 C80 . . 122.2(7) ?
C74 C73 Ir2 . . 69.2(4) ?
C80 C73 Ir2 . . 114.3(5) ?
C73 C74 C75 . . 124.8(7) ?
C73 C74 Ir2 . . 72.1(4) ?
C75 C74 Ir2 . . 114.8(5) ?
C74 C75 C76 . . 112.2(6) ?
C77 C76 C75 . . 112.9(6) ?
C78 C77 C76 . . 122.6(6) ?
C78 C77 Ir2 . . 72.0(4) ?
C76 C77 Ir2 . . 112.4(5) ?
C77 C78 C79 . . 124.7(6) ?
C77 C78 Ir2 . . 72.1(4) ?
C79 C78 Ir2 . . 109.2(5) ?
C80 C79 C78 . . 113.9(6) ?
C79 C80 C73 . . 113.4(6) ?
C82 C81 C83 . 2_655 119.5(7) ?
C81 C82 C83 . . 120.6(7) ?
C82 C83 C81 . 2_655 119.9(8) ?
C86 C84 C85 2_566 . 119.5(7) ?
C86 C85 C84 . . 119.2(7) ?
C84 C86 C85 2_566 . 121.4(7) ?
C89 C87 C88 2_767 . 120.6(9) ?
C89 C88 C87 . . 119.7(8) ?
C88 C89 C87 . 2_767 119.7(8) ?
C92 C90 C91 2_676 . 118.4(9) ?
C92 C91 C90 . . 120.5(9) ?
C91 C92 C90 . 2_676 121.0(8) ?
C27 B1 P1 . . 123.0(4) ?
C27 B1 Si1 . . 118.1(4) ?
P1 B1 Si1 . . 102.1(3) ?
C27 B1 Ir1 . . 129.3(4) ?
P1 B1 Ir1 . . 104.2(3) ?
Si1 B1 Ir1 . . 61.96(18) ?
C67 B2 P2 . . 123.2(4) ?
C67 B2 Si2 . . 116.5(4) ?
P2 B2 Si2 . . 101.4(3) ?
C67 B2 Ir2 . . 130.5(4) ?
P2 B2 Ir2 . . 104.1(3) ?
Si2 B2 Ir2 . . 61.46(18) ?
C34 Ir1 C19 . . 86.6(3) ?
C34 Ir1 C33 . . 39.4(3) ?
C19 Ir1 C33 . . 90.1(2) ?
C34 Ir1 C38 . . 95.1(3) ?
C19 Ir1 C38 . . 161.2(2) ?
C33 Ir1 C38 . . 79.6(3) ?
C34 Ir1 C37 . . 79.3(3) ?
C19 Ir1 C37 . . 160.3(2) ?
C33 Ir1 C37 . . 87.7(3) ?
C38 Ir1 C37 . . 36.2(2) ?
C34 Ir1 Si1 . . 148.41(19) ?
C19 Ir1 Si1 . . 89.56(17) ?
C33 Ir1 Si1 . . 172.09(19) ?
C38 Ir1 Si1 . . 98.42(18) ?
C37 Ir1 Si1 . . 95.19(18) ?
C34 Ir1 B1 . . 160.8(2) ?
C19 Ir1 B1 . . 82.7(2) ?
C33 Ir1 B1 . . 124.4(2) ?
C38 Ir1 B1 . . 90.1(2) ?
C37 Ir1 B1 . . 114.5(2) ?
Si1 Ir1 B1 . . 47.77(16) ?
C74 Ir2 C59 . . 87.6(3) ?
C74 Ir2 C73 . . 38.7(3) ?
C59 Ir2 C73 . . 91.4(3) ?
C74 Ir2 C78 . . 94.8(3) ?
C59 Ir2 C78 . . 162.7(2) ?
C73 Ir2 C78 . . 80.1(3) ?
C74 Ir2 C77 . . 79.3(3) ?
C59 Ir2 C77 . . 159.8(3) ?
C73 Ir2 C77 . . 87.9(3) ?
C78 Ir2 C77 . . 36.0(2) ?
C74 Ir2 Si2 . . 150.95(19) ?
C59 Ir2 Si2 . . 88.94(19) ?
C73 Ir2 Si2 . . 170.3(2) ?
C78 Ir2 Si2 . . 96.91(19) ?
C77 Ir2 Si2 . . 95.06(19) ?
C74 Ir2 B2 . . 158.8(2) ?
C59 Ir2 B2 . . 83.1(2) ?
C73 Ir2 B2 . . 122.3(2) ?
C78 Ir2 B2 . . 88.8(2) ?
C77 Ir2 B2 . . 114.2(2) ?
Si2 Ir2 B2 . . 48.16(15) ?
C12 N1 C8 . . 121.9(5) ?
C12 N1 Si1 . . 124.9(4) ?
C8 N1 Si1 . . 113.1(4) ?
C12 N2 P1 . . 127.4(4) ?
C52 N3 C48 . . 122.1(5) ?
C52 N3 Si2 . . 124.9(4) ?
C48 N3 Si2 . . 112.7(4) ?
C52 N4 P2 . . 127.5(4) ?
N2 P1 C20 . . 104.7(3) ?
N2 P1 C23 . . 101.1(3) ?
C20 P1 C23 . . 114.3(3) ?
N2 P1 B1 . . 115.8(3) ?
C20 P1 B1 . . 105.9(3) ?
C23 P1 B1 . . 114.7(3) ?
N4 P2 C63 . . 101.1(3) ?
N4 P2 C60 . . 104.8(3) ?
C63 P2 C60 . . 113.9(3) ?
N4 P2 B2 . . 115.5(3) ?
C63 P2 B2 . . 114.7(3) ?
C60 P2 B2 . . 106.5(3) ?
N1 Si1 C1 . . 100.1(3) ?
N1 Si1 B1 . . 113.6(3) ?
C1 Si1 B1 . . 124.2(3) ?
N1 Si1 Ir1 . . 121.59(17) ?
C1 Si1 Ir1 . . 126.5(2) ?
B1 Si1 Ir1 . . 70.27(19) ?
N3 Si2 C41 . . 100.6(3) ?
N3 Si2 B2 . . 113.6(3) ?
C41 Si2 B2 . . 123.4(3) ?
N3 Si2 Ir2 . . 122.34(17) ?
C41 Si2 Ir2 . . 125.8(2) ?
B2 Si2 Ir2 . . 70.38(19) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.546(9) ?
C1 Si1 . 1.874(6) ?
C2 C036 . 1.521(8) ?
C2 C3 . 1.521(9) ?
C01G C45 . 1.370(9) ?
C01G C44 . 1.382(8) ?
C3 C4 . 1.380(8) ?
C3 C8 . 1.412(8) ?
C4 C5 . 1.399(9) ?
C5 C6 . 1.380(9) ?
C6 C7 . 1.399(8) ?
C7 C8 . 1.416(8) ?
C7 C9 . 1.511(8) ?
C8 N1 . 1.432(7) ?
C9 C11 . 1.544(9) ?
C9 C10 . 1.550(9) ?
C12 N2 . 1.301(7) ?
C12 N1 . 1.372(7) ?
C12 C13 . 1.516(8) ?
C13 C14 . 1.380(8) ?
C13 C18 . 1.402(8) ?
C14 C15 . 1.397(9) ?
C15 C16 . 1.366(9) ?
C16 C17 . 1.386(9) ?
C17 C18 . 1.379(9) ?
C19 C20 . 1.540(8) ?
C19 Ir1 . 2.135(6) ?
C20 C22 . 1.536(8) ?
C20 C21 . 1.544(9) ?
C20 P1 . 1.860(6) ?
C23 C25 . 1.533(8) ?
C23 C26 . 1.533(9) ?
C23 C24 . 1.536(9) ?
C23 P1 . 1.865(6) ?
C27 C28 . 1.400(8) ?
C27 C32 . 1.409(8) ?
C27 B1 . 1.599(9) ?
C28 C29 . 1.389(9) ?
C29 C30 . 1.389(10) ?
C30 C31 . 1.388(10) ?
C31 C32 . 1.391(9) ?
C33 C34 . 1.428(9) ?
C33 C40 . 1.526(10) ?
C33 Ir1 . 2.136(6) ?
C34 C35 . 1.521(9) ?
C34 Ir1 . 2.096(6) ?
C35 C36 . 1.513(10) ?
C36 C37 . 1.513(9) ?
C37 C38 . 1.395(9) ?
C37 Ir1 . 2.254(6) ?
C38 C39 . 1.505(9) ?
C38 Ir1 . 2.236(6) ?
C39 C40 . 1.527(11) ?
C41 C42 . 1.552(9) ?
C41 Si2 . 1.890(6) ?
C42 C43 . 1.502(8) ?
C42 C44 . 1.534(9) ?
C44 C48 . 1.409(8) ?
C45 C46 . 1.386(9) ?
C46 C47 . 1.407(8) ?
C47 C48 . 1.414(9) ?
C47 C49 . 1.511(8) ?
C48 N3 . 1.442(7) ?
C49 C51 . 1.525(9) ?
C49 C50 . 1.533(9) ?
C52 N4 . 1.294(7) ?
C52 N3 . 1.374(7) ?
C52 C53 . 1.511(8) ?
C53 C54 . 1.387(9) ?
C53 C58 . 1.390(9) ?
C54 C55 . 1.380(9) ?
C55 C56 . 1.383(9) ?
C56 C57 . 1.375(9) ?
C57 C58 . 1.402(9) ?
C59 C60 . 1.554(8) ?
C59 Ir2 . 2.120(6) ?
C60 C61 . 1.526(8) ?
C60 C62 . 1.550(9) ?
C60 P2 . 1.864(6) ?
C63 C65 . 1.534(9) ?
C63 C66 . 1.534(9) ?
C63 C64 . 1.549(8) ?
C63 P2 . 1.864(6) ?
C67 C68 . 1.401(8) ?
C67 C72 . 1.414(9) ?
C67 B2 . 1.594(9) ?
C68 C69 . 1.388(9) ?
C69 C70 . 1.386(10) ?
C70 C71 . 1.379(10) ?
C71 C72 . 1.379(9) ?
C73 C74 . 1.412(10) ?
C73 C80 . 1.536(11) ?
C73 Ir2 . 2.147(7) ?
C74 C75 . 1.509(10) ?
C74 Ir2 . 2.109(6) ?
C75 C76 . 1.529(11) ?
C76 C77 . 1.525(10) ?
C77 C78 . 1.383(10) ?
C77 Ir2 . 2.241(6) ?
C78 C79 . 1.514(10) ?
C78 Ir2 . 2.239(7) ?
C79 C80 . 1.511(11) ?
C81 C82 . 1.378(11) ?
C81 C83 2_655 1.387(11) ?
C82 C83 . 1.384(11) ?
C84 C86 2_566 1.366(11) ?
C84 C85 . 1.394(10) ?
C85 C86 . 1.377(11) ?
C87 C89 2_767 1.378(12) ?
C87 C88 . 1.384(12) ?
C88 C89 . 1.370(13) ?
C90 C92 2_676 1.378(13) ?
C90 C91 . 1.401(13) ?
C91 C92 . 1.335(13) ?
B1 P1 . 1.920(7) ?
B1 Si1 . 1.989(7) ?
B1 Ir1 . 2.529(6) ?
B2 P2 . 1.927(7) ?
B2 Si2 . 1.996(7) ?
B2 Ir2 . 2.524(6) ?
Ir1 Si1 . 2.3714(16) ?
Ir2 Si2 . 2.3537(17) ?
N1 Si1 . 1.791(5) ?
N2 P1 . 1.681(5) ?
N3 Si2 . 1.789(5) ?
N4 P2 . 1.684(5) ?
