#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/84/4078462.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_4078462
loop_
_publ_author_name
'Kameo, Hajime'
'Hashimoto, Yasuhiro'
'Nakazawa, Hiroshi'
_publ_section_title
;
 Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane:
 Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a
 σ-Electron-Acceptor Borane Ligand
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              4251
_journal_paper_doi               10.1021/om300216g
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C57 H52 B Ir P4, C H2 Cl2'
_chemical_formula_sum            'C58 H54 B Cl2 Ir P4'
_chemical_formula_weight         1148.80
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.072(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.509(2)
_cell_length_b                   11.9298(4)
_cell_length_c                   21.7156(11)
_cell_measurement_reflns_used    13967
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0592
_cell_volume                     10408.0(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details
;
scan:
    Number of images: 1200
               Slice: -80.0000 - 100.0000
         Image width: 0.1500
            Exp time: 6.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 55.1584
              2theta: 24.7955
scan:
    Number of images: 400
               Slice: -15.0000 - 45.0000
         Image width: 0.1500
            Exp time: 6.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 0.0000
                 XTD: 55.1584
              2theta: 24.7955
scan:
    Number of images: 400
               Slice: -15.0000 - 45.0000
         Image width: 0.1500
            Exp time: 6.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 90.0000
                 XTD: 55.1584
              2theta: 24.7955
scan:
    Number of images: 400
               Slice: -15.0000 - 45.0000
         Image width: 0.1500
            Exp time: 6.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 180.0000
                 XTD: 55.1584
              2theta: 24.7955
scan:
    Number of images: 400
               Slice: -15.0000 - 45.0000
         Image width: 0.1500
            Exp time: 6.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 270.0000
                 XTD: 55.1584
              2theta: 24.7955

;
_diffrn_measurement_device       'Mercury CCD (2x2 bin mode)'
_diffrn_measurement_device_details 'AFC7: Eulerian 3-circle'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       'ω or φ'
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39011
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.06
_diffrn_source_current           250.0000
_diffrn_source_power             15.0000
_diffrn_source_voltage           60.0000
_exptl_absorpt_coefficient_mu    2.829
_exptl_absorpt_correction_T_max  0.7651
_exptl_absorpt_correction_T_min  0.6015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4624
_exptl_crystal_preparation
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.804
_refine_diff_density_min         -5.180
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         11529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0509P)²+135.2752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1346
_reflns_number_gt                10861
_reflns_number_total             11529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300216g_si_002.cif
_cod_data_source_block           10a-Ir
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        10408.1(8)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4078462
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.142354(5) 0.009028(16) 0.585135(9) 0.01595(8) Uani 1 1 d . . .
H1IR H 0.1662 -0.0816 0.6377 0.019 Uiso 1 1 d . . .
B1 B 0.16779(14) -0.0356(5) 0.5079(3) 0.0170(11) Uani 1 1 d . . .
P1 P 0.19052(3) 0.11291(11) 0.61836(6) 0.0164(3) Uani 1 1 d . . .
C1 C 0.20771(14) -0.0457(4) 0.5466(2) 0.0192(10) Uani 1 1 d . . .
C2 C 0.23047(14) -0.1146(5) 0.5301(3) 0.0222(11) Uani 1 1 d . . .
H2 H 0.2223 -0.1701 0.4974 0.027 Uiso 1 1 calc R . .
C3 C 0.26465(14) -0.1042(5) 0.5602(3) 0.0223(11) Uani 1 1 d . . .
H3 H 0.2793 -0.1529 0.5480 0.027 Uiso 1 1 calc R . .
C4 C 0.27766(14) -0.0236(5) 0.6078(3) 0.0228(11) Uani 1 1 d . . .
H4 H 0.3010 -0.0150 0.6271 0.027 Uiso 1 1 calc R . .
C5 C 0.25593(14) 0.0440(5) 0.6268(2) 0.0204(10) Uani 1 1 d . . .
H5 H 0.2644 0.0985 0.6600 0.024 Uiso 1 1 calc R . .
C6 C 0.22164(13) 0.0320(4) 0.5970(2) 0.0180(10) Uani 1 1 d . . .
C7 C 0.21037(13) 0.1292(5) 0.7074(2) 0.0204(10) Uani 1 1 d . . .
C8 C 0.21624(15) 0.0330(5) 0.7456(3) 0.0261(12) Uani 1 1 d . . .
H8 H 0.2102 -0.0380 0.7253 0.031 Uiso 1 1 calc R . .
C9 C 0.23077(17) 0.0391(6) 0.8129(3) 0.0336(14) Uani 1 1 d . . .
H9 H 0.2349 -0.0272 0.8385 0.040 Uiso 1 1 calc R . .
C10 C 0.23921(18) 0.1445(7) 0.8426(3) 0.0392(16) Uani 1 1 d . . .
H10 H 0.2484 0.1501 0.8887 0.047 Uiso 1 1 calc R . .
C11 C 0.23420(17) 0.2387(6) 0.8049(3) 0.0364(15) Uani 1 1 d . . .
H11 H 0.2403 0.3096 0.8252 0.044 Uiso 1 1 calc R . .
C12 C 0.22027(15) 0.2327(5) 0.7371(3) 0.0273(12) Uani 1 1 d . . .
H12 H 0.2176 0.2988 0.7114 0.033 Uiso 1 1 calc R . .
C13 C 0.19427(14) 0.2540(5) 0.5880(2) 0.0209(10) Uani 1 1 d . . .
C14 C 0.21547(14) 0.2783(5) 0.5531(2) 0.0217(11) Uani 1 1 d . . .
H14 H 0.2293 0.2213 0.5453 0.026 Uiso 1 1 calc R . .
C15 C 0.21651(16) 0.3854(5) 0.5296(3) 0.0309(13) Uani 1 1 d . . .
H15 H 0.2316 0.4020 0.5068 0.037 Uiso 1 1 calc R . .
C16 C 0.19589(16) 0.4688(5) 0.5389(3) 0.0301(13) Uani 1 1 d . . .
H16 H 0.1962 0.5415 0.5213 0.036 Uiso 1 1 calc R . .
C17 C 0.17476(16) 0.4453(5) 0.5742(3) 0.0290(12) Uani 1 1 d . . .
H17 H 0.1608 0.5024 0.5817 0.035 Uiso 1 1 calc R . .
C18 C 0.17399(15) 0.3391(5) 0.5985(3) 0.0264(12) Uani 1 1 d . . .
H18 H 0.1595 0.3234 0.6228 0.032 Uiso 1 1 calc R . .
P2 P 0.11059(3) 0.11237(12) 0.49499(6) 0.0197(3) Uani 1 1 d . . .
C19 C 0.16410(13) 0.0708(4) 0.4578(2) 0.0192(10) Uani 1 1 d . . .
C20 C 0.18581(15) 0.0900(5) 0.4227(3) 0.0261(12) Uani 1 1 d . . .
H20 H 0.2031 0.0376 0.4260 0.031 Uiso 1 1 calc R . .
C21 C 0.18285(17) 0.1843(6) 0.3825(3) 0.0319(13) Uani 1 1 d . . .
H21 H 0.1983 0.1958 0.3598 0.038 Uiso 1 1 calc R . .
C22 C 0.15753(17) 0.2603(6) 0.3761(3) 0.0354(14) Uani 1 1 d . . .
H22 H 0.1555 0.3242 0.3490 0.043 Uiso 1 1 calc R . .
C23 C 0.13517(17) 0.2433(6) 0.4091(3) 0.0327(13) Uani 1 1 d . . .
H23 H 0.1176 0.2953 0.4048 0.039 Uiso 1 1 calc R . .
C24 C 0.13857(14) 0.1485(5) 0.4491(3) 0.0236(11) Uani 1 1 d . . .
C25 C 0.08834(14) 0.2443(5) 0.4989(3) 0.0262(12) Uani 1 1 d . . .
C26 C 0.06741(17) 0.2961(6) 0.4431(3) 0.0364(15) Uani 1 1 d . . .
H26 H 0.0632 0.2614 0.4018 0.044 Uiso 1 1 calc R . .
C27 C 0.05262(19) 0.3987(7) 0.4476(4) 0.0474(19) Uani 1 1 d . . .
H27 H 0.0386 0.4339 0.4091 0.057 Uiso 1 1 calc R . .
C28 C 0.0580(2) 0.4495(6) 0.5070(5) 0.051(2) Uani 1 1 d . . .
H28 H 0.0482 0.5201 0.5096 0.061 Uiso 1 1 calc R . .
C29 C 0.07801(19) 0.3968(6) 0.5630(4) 0.0456(18) Uani 1 1 d . . .
H29 H 0.0813 0.4297 0.6045 0.055 Uiso 1 1 calc R . .
C30 C 0.09308(16) 0.2962(5) 0.5581(3) 0.0332(14) Uani 1 1 d . . .
H30 H 0.1072 0.2615 0.5967 0.040 Uiso 1 1 calc R . .
C31 C 0.07619(14) 0.0412(5) 0.4333(3) 0.0246(11) Uani 1 1 d . . .
C32 C 0.08007(19) -0.0094(6) 0.3784(3) 0.0360(15) Uani 1 1 d . . .
H32 H 0.1013 -0.0097 0.3727 0.043 Uiso 1 1 calc R . .
C33 C 0.0532(2) -0.0593(8) 0.3322(3) 0.054(2) Uani 1 1 d . . .
H33 H 0.0560 -0.0931 0.2948 0.064 Uiso 1 1 calc R . .
C34 C 0.0223(2) -0.0602(8) 0.3401(3) 0.051(2) Uani 1 1 d . . .
H34 H 0.0040 -0.0940 0.3080 0.061 Uiso 1 1 calc R . .
C35 C 0.01797(18) -0.0125(6) 0.3944(4) 0.0431(17) Uani 1 1 d . . .
H35 H -0.0033 -0.0138 0.3998 0.052 Uiso 1 1 calc R . .
C36 C 0.04496(15) 0.0382(6) 0.4419(3) 0.0321(13) Uani 1 1 d . . .
H36 H 0.0420 0.0704 0.4796 0.039 Uiso 1 1 calc R . .
P3 P 0.12161(3) -0.16931(11) 0.55905(6) 0.0187(3) Uani 1 1 d . . .
C37 C 0.15361(13) -0.1506(5) 0.4694(2) 0.0206(10) Uani 1 1 d . . .
C38 C 0.16072(14) -0.1875(5) 0.4139(3) 0.0248(11) Uani 1 1 d . . .
H38 H 0.1718 -0.1381 0.3935 0.030 Uiso 1 1 calc R . .
C39 C 0.15206(16) -0.2932(5) 0.3880(3) 0.0298(13) Uani 1 1 d . . .
H39 H 0.1571 -0.3145 0.3501 0.036 Uiso 1 1 calc R . .
C40 C 0.13630(17) -0.3681(5) 0.4161(3) 0.0326(14) Uani 1 1 d . . .
H40 H 0.1316 -0.4421 0.3994 0.039 Uiso 1 1 calc R . .
C41 C 0.12737(16) -0.3338(5) 0.4691(3) 0.0276(12) Uani 1 1 d . . .
H41 H 0.1160 -0.3837 0.4887 0.033 Uiso 1 1 calc R . .
C42 C 0.13525(13) -0.2246(5) 0.4936(2) 0.0202(10) Uani 1 1 d . . .
C43 C 0.07680(14) -0.2033(5) 0.5321(3) 0.0270(12) Uani 1 1 d . . .
C44 C 0.05959(16) -0.2361(6) 0.4688(3) 0.0346(14) Uani 1 1 d . . .
H44 H 0.0708 -0.2415 0.4376 0.041 Uiso 1 1 calc R . .
C45 C 0.02549(17) -0.2612(6) 0.4510(4) 0.0439(18) Uani 1 1 d . . .
H45 H 0.0139 -0.2840 0.4076 0.053 Uiso 1 1 calc R . .
C46 C 0.00879(17) -0.2538(7) 0.4946(4) 0.049(2) Uani 1 1 d . . .
H46 H -0.0142 -0.2727 0.4821 0.059 Uiso 1 1 calc R . .
C47 C 0.02550(18) -0.2184(7) 0.5572(4) 0.0478(18) Uani 1 1 d . . .
H47 H 0.0139 -0.2111 0.5877 0.057 Uiso 1 1 calc R . .
C48 C 0.05917(17) -0.1935(6) 0.5757(4) 0.0378(15) Uani 1 1 d . . .
H48 H 0.0704 -0.1692 0.6190 0.045 Uiso 1 1 calc R . .
C49 C 0.13873(14) -0.2750(5) 0.6241(3) 0.0229(11) Uani 1 1 d . . .
C50 C 0.17305(15) -0.2795(5) 0.6537(3) 0.0273(12) Uani 1 1 d . . .
H50 H 0.1867 -0.2283 0.6404 0.033 Uiso 1 1 calc R . .
C51 C 0.18769(17) -0.3564(6) 0.7017(3) 0.0341(14) Uani 1 1 d . . .
H51 H 0.2112 -0.3573 0.7215 0.041 Uiso 1 1 calc R . .
C52 C 0.16830(19) -0.4321(6) 0.7213(3) 0.0393(16) Uani 1 1 d . . .
H52 H 0.1784 -0.4845 0.7549 0.047 Uiso 1 1 calc R . .
C53 C 0.13453(19) -0.4315(6) 0.6925(3) 0.0420(17) Uani 1 1 d . . .
H53 H 0.1212 -0.4842 0.7055 0.050 Uiso 1 1 calc R . .
C54 C 0.11953(16) -0.3531(6) 0.6435(3) 0.0314(13) Uani 1 1 d . . .
H54 H 0.0960 -0.3532 0.6235 0.038 Uiso 1 1 calc R . .
P4 P 0.11966(4) 0.04755(14) 0.66921(7) 0.0248(3) Uani 1 1 d . . .
C55 C 0.13458(17) 0.1664(6) 0.7252(3) 0.0378(16) Uani 1 1 d . . .
H55 H 0.1230 0.1671 0.7575 0.057 Uiso 1 1 calc R . .
H55A H 0.1301 0.2367 0.7005 0.057 Uiso 1 1 calc R . .
H55B H 0.1586 0.1588 0.7475 0.057 Uiso 1 1 calc R . .
C56 C 0.07499(16) 0.0720(7) 0.6469(3) 0.0378(15) Uani 1 1 d . . .
H56 H 0.0630 0.0119 0.6179 0.057 Uiso 1 1 calc R . .
H56A H 0.0694 0.1442 0.6245 0.057 Uiso 1 1 calc R . .
H56B H 0.0686 0.0729 0.6863 0.057 Uiso 1 1 calc R . .
C57 C 0.12655(18) -0.0641(6) 0.7299(3) 0.0371(15) Uani 1 1 d . . .
H57 H 0.1154 -0.0448 0.7615 0.056 Uiso 1 1 calc R . .
H57A H 0.1505 -0.0727 0.7526 0.056 Uiso 1 1 calc R . .
H57B H 0.1175 -0.1346 0.7082 0.056 Uiso 1 1 calc R . .
C58 C 0.0603 0.6108 0.2919 0.123 Uiso 0.50 1 d P . .
Cl1 Cl 0.0720 0.4709 0.2850 0.166 Uiso 0.50 1 d P A .
Cl2 Cl 0.0499 0.6679 0.2170 0.159 Uiso 0.40 1 d P A 1
Cl2B Cl 0.0201 0.6394 0.2810 0.216 Uiso 0.10 1 d P . 2
Cl3 Cl 0.0578 0.2574 0.2484 0.183 Uiso 0.50 1 d P . .
C59 C 0.0268 0.1854 0.2441 0.151 Uiso 0.50 1 d P . .
Cl4 Cl -0.0018 0.2416 0.2796 0.102 Uiso 0.50 1 d P . .
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
P1 Ir1 P3 143.70(5) . .
P1 Ir1 P2 100.97(5) . .
P3 Ir1 P2 102.22(5) . .
P1 Ir1 B1 76.97(15) . .
P3 Ir1 B1 80.93(15) . .
P2 Ir1 B1 78.15(15) . .
P1 Ir1 P4 101.45(5) . .
P3 Ir1 P4 98.57(5) . .
P2 Ir1 P4 105.90(5) . .
B1 Ir1 P4 175.91(14) . .
P1 Ir1 H1IR 81.63(3) . .
P3 Ir1 H1IR 70.43(3) . .
P2 Ir1 H1IR 168.23(4) . .
B1 Ir1 H1IR 91.39(14) . .
P4 Ir1 H1IR 84.63(4) . .
C37 B1 C1 110.7(4) . .
C37 B1 C19 112.0(4) . .
C1 B1 C19 104.8(4) . .
C37 B1 Ir1 112.5(4) . .
C1 B1 Ir1 107.1(3) . .
C19 B1 Ir1 109.4(3) . .
C6 P1 C13 103.9(2) . .
C6 P1 C7 101.6(2) . .
C13 P1 C7 102.4(2) . .
C6 P1 Ir1 106.37(18) . .
C13 P1 Ir1 123.73(18) . .
C7 P1 Ir1 116.12(18) . .
C2 C1 C6 115.7(5) . .
C2 C1 B1 126.8(5) . .
C6 C1 B1 117.0(5) . .
C3 C2 C1 122.0(5) . .
C3 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
C4 C3 C2 120.8(5) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C5 C4 C3 118.9(5) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C4 C5 C6 120.0(5) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C5 C6 C1 122.5(5) . .
C5 C6 P1 124.4(4) . .
C1 C6 P1 113.1(4) . .
C8 C7 C12 119.2(5) . .
C8 C7 P1 117.9(4) . .
C12 C7 P1 122.9(4) . .
C7 C8 C9 121.0(6) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C8 C9 C10 119.3(6) . .
C8 C9 H9 120.4 . .
C10 C9 H9 120.4 . .
C11 C10 C9 119.6(5) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 121.3(6) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C7 C12 C11 119.5(6) . .
C7 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C14 C13 C18 119.0(5) . .
C14 C13 P1 122.5(4) . .
C18 C13 P1 118.5(4) . .
C15 C14 C13 120.0(5) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C16 120.9(6) . .
C14 C15 H15 119.6 . .
C16 C15 H15 119.6 . .
C15 C16 C17 119.4(6) . .
C15 C16 H16 120.3 . .
C17 C16 H16 120.3 . .
C18 C17 C16 119.9(6) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C13 120.8(6) . .
C17 C18 H18 119.6 . .
C13 C18 H18 119.6 . .
C24 P2 C31 102.4(3) . .
C24 P2 C25 104.9(3) . .
C31 P2 C25 97.4(3) . .
C24 P2 Ir1 106.23(18) . .
C31 P2 Ir1 118.15(19) . .
C25 P2 Ir1 125.0(2) . .
C24 C19 C20 116.2(5) . .
C24 C19 B1 120.4(5) . .
C20 C19 B1 123.4(5) . .
C19 C20 C21 122.0(6) . .
C19 C20 H20 119.0 . .
C21 C20 H20 119.0 . .
C22 C21 C20 119.9(6) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 119.9(6) . .
C21 C22 H22 120.1 . .
C23 C22 H22 120.1 . .
C22 C23 C24 119.3(6) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C19 C24 C23 122.6(5) . .
C19 C24 P2 112.6(4) . .
C23 C24 P2 124.8(5) . .
C30 C25 C26 118.0(6) . .
C30 C25 P2 120.1(5) . .
C26 C25 P2 121.8(5) . .
C25 C26 C27 120.2(7) . .
C25 C26 H26 119.9 . .
C27 C26 H26 119.9 . .
C28 C27 C26 120.8(7) . .
C28 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C27 C28 C29 119.3(7) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
C30 C29 C28 119.5(7) . .
C30 C29 H29 120.2 . .
C28 C29 H29 120.2 . .
C25 C30 C29 122.1(7) . .
C25 C30 H30 119.0 . .
C29 C30 H30 119.0 . .
C32 C31 C36 119.0(6) . .
C32 C31 P2 122.4(5) . .
C36 C31 P2 118.6(5) . .
C33 C32 C31 120.4(7) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C34 C33 C32 120.4(7) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C35 C34 C33 120.2(7) . .
C35 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
C34 C35 C36 120.1(7) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C31 C36 C35 119.8(7) . .
C31 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C42 P3 C43 103.4(3) . .
C42 P3 C49 101.7(2) . .
C43 P3 C49 101.5(3) . .
C42 P3 Ir1 109.40(19) . .
C43 P3 Ir1 123.6(2) . .
C49 P3 Ir1 114.67(18) . .
C42 C37 C38 115.4(5) . .
C42 C37 B1 120.3(5) . .
C38 C37 B1 124.0(5) . .
C39 C38 C37 122.1(6) . .
C39 C38 H38 119.0 . .
C37 C38 H38 119.0 . .
C40 C39 C38 121.2(6) . .
C40 C39 H39 119.4 . .
C38 C39 H39 119.4 . .
C39 C40 C41 118.8(6) . .
C39 C40 H40 120.6 . .
C41 C40 H40 120.6 . .
C40 C41 C42 119.4(6) . .
C40 C41 H41 120.3 . .
C42 C41 H41 120.3 . .
C37 C42 C41 122.7(5) . .
C37 C42 P3 115.1(4) . .
C41 C42 P3 122.2(4) . .
C44 C43 C48 118.2(6) . .
C44 C43 P3 122.1(5) . .
C48 C43 P3 119.7(5) . .
C43 C44 C45 119.7(7) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C46 C45 C44 121.4(7) . .
C46 C45 H45 119.3 . .
C44 C45 H45 119.3 . .
C45 C46 C47 119.3(7) . .
C45 C46 H46 120.4 . .
C47 C46 H46 120.4 . .
C46 C47 C48 120.2(8) . .
C46 C47 H47 119.9 . .
C48 C47 H47 119.9 . .
C47 C48 C43 121.2(7) . .
C47 C48 H48 119.4 . .
C43 C48 H48 119.4 . .
C50 C49 C54 117.7(5) . .
C50 C49 P3 118.0(4) . .
C54 C49 P3 124.2(4) . .
C51 C50 C49 121.5(6) . .
C51 C50 H50 119.2 . .
C49 C50 H50 119.2 . .
C50 C51 C52 120.1(6) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C53 C52 C51 119.9(6) . .
C53 C52 H52 120.0 . .
C51 C52 H52 120.0 . .
C52 C53 C54 120.1(6) . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C49 C54 C53 120.6(6) . .
C49 C54 H54 119.7 . .
C53 C54 H54 119.7 . .
C56 P4 C57 102.4(3) . .
C56 P4 C55 99.0(3) . .
C57 P4 C55 98.3(3) . .
C56 P4 Ir1 118.5(2) . .
C57 P4 Ir1 113.8(2) . .
C55 P4 Ir1 121.3(2) . .
P4 C55 H55 109.5 . .
P4 C55 H55A 109.5 . .
H55 C55 H55A 109.5 . .
P4 C55 H55B 109.5 . .
H55 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
P4 C56 H56 109.5 . .
P4 C56 H56A 109.5 . .
H56 C56 H56A 109.5 . .
P4 C56 H56B 109.5 . .
H56 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
P4 C57 H57 109.5 . .
P4 C57 H57A 109.5 . .
H57 C57 H57A 109.5 . .
P4 C57 H57B 109.5 . .
H57 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
Cl2B C58 Cl2 81.298(2) . .
Cl2B C58 Cl1 118.850(1) . .
Cl2 C58 Cl1 106.965(2) . .
C58 Cl2B Cl2B 141.209(2) . 2
C59 Cl3 Cl4 30.569(1) . 2
Cl4 C59 Cl3 109.059(3) 2 .
Cl4 C59 Cl4 49.338(3) 2 .
Cl3 C59 Cl4 117.091(3) . .
C59 Cl4 Cl4 87.349(3) 2 2
C59 Cl4 C59 103.586(3) 2 .
Cl4 Cl4 C59 43.319(1) 2 .
C59 Cl4 Cl3 40.370(2) 2 2
Cl4 Cl4 Cl3 100.583(3) 2 2
C59 Cl4 Cl3 136.525(2) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 P1 2.2984(13) .
Ir1 P3 2.3018(14) .
Ir1 P2 2.3339(13) .
Ir1 B1 2.336(6) .
Ir1 P4 2.3719(14) .
Ir1 H1IR 1.65653(19) .
B1 C37 1.617(8) .
B1 C1 1.634(8) .
B1 C19 1.645(8) .
P1 C6 1.816(5) .
P1 C13 1.834(6) .
P1 C7 1.850(5) .
C1 C2 1.402(8) .
C1 C6 1.409(7) .
C2 C3 1.391(8) .
C2 H2 0.9500 .
C3 C4 1.388(8) .
C3 H3 0.9500 .
C4 C5 1.386(8) .
C4 H4 0.9500 .
C5 C6 1.395(7) .
C5 H5 0.9500 .
C7 C8 1.390(8) .
C7 C12 1.392(8) .
C8 C9 1.391(8) .
C8 H8 0.9500 .
C9 C10 1.404(10) .
C9 H9 0.9500 .
C10 C11 1.366(10) .
C10 H10 0.9500 .
C11 C12 1.399(8) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.385(8) .
C13 C18 1.398(8) .
C14 C15 1.382(8) .
C14 H14 0.9500 .
C15 C16 1.383(9) .
C15 H15 0.9500 .
C16 C17 1.388(9) .
C16 H16 0.9500 .
C17 C18 1.377(8) .
C17 H17 0.9500 .
C18 H18 0.9500 .
P2 C24 1.835(6) .
P2 C31 1.836(6) .
P2 C25 1.853(6) .
C19 C24 1.392(8) .
C19 C20 1.395(8) .
C20 C21 1.404(8) .
C20 H20 0.9500 .
C21 C22 1.379(10) .
C21 H21 0.9500 .
C22 C23 1.380(9) .
C22 H22 0.9500 .
C23 C24 1.405(8) .
C23 H23 0.9500 .
C25 C30 1.380(9) .
C25 C26 1.393(8) .
C26 C27 1.394(10) .
C26 H26 0.9500 .
C27 C28 1.375(12) .
C27 H27 0.9500 .
C28 C29 1.387(12) .
C28 H28 0.9500 .
C29 C30 1.382(9) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.393(9) .
C31 C36 1.400(9) .
C32 C33 1.385(10) .
C32 H32 0.9500 .
C33 C34 1.379(12) .
C33 H33 0.9500 .
C34 C35 1.375(12) .
C34 H34 0.9500 .
C35 C36 1.404(9) .
C35 H35 0.9500 .
C36 H36 0.9500 .
P3 C42 1.826(5) .
P3 C43 1.846(6) .
P3 C49 1.856(5) .
C37 C42 1.389(8) .
C37 C38 1.406(7) .
C38 C39 1.381(8) .
C38 H38 0.9500 .
C39 C40 1.373(10) .
C39 H39 0.9500 .
C40 C41 1.386(9) .
C40 H40 0.9500 .
C41 C42 1.405(8) .
C41 H41 0.9500 .
C43 C44 1.386(9) .
C43 C48 1.391(9) .
C44 C45 1.405(9) .
C44 H44 0.9500 .
C45 C46 1.360(12) .
C45 H45 0.9500 .
C46 C47 1.378(12) .
C46 H46 0.9500 .
C47 C48 1.387(10) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C50 1.390(8) .
C49 C54 1.391(8) .
C50 C51 1.375(8) .
C50 H50 0.9500 .
C51 C52 1.381(10) .
C51 H51 0.9500 .
C52 C53 1.366(10) .
C52 H52 0.9500 .
C53 C54 1.403(9) .
C53 H53 0.9500 .
C54 H54 0.9500 .
P4 C56 1.823(7) .
P4 C57 1.829(7) .
P4 C55 1.841(7) .
C55 H55 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C56 H56 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C57 H57 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C58 Cl2B 1.6823 .
C58 Cl2 1.6847 .
C58 Cl1 1.7620 .
Cl2B Cl2B 1.7935 2
Cl3 C59 1.5507 .
Cl3 Cl4 2.26275(12) 2
C59 Cl4 1.2175 2
C59 Cl4 1.7728 .
Cl4 C59 1.2176 2
Cl4 Cl4 1.3462 2
Cl4 Cl3 2.26279(12) 2
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_4
P1 Ir1 B1 C37 160.7(4) . .
P3 Ir1 B1 C37 9.7(3) . .
P2 Ir1 B1 C37 -94.9(3) . .
P4 Ir1 B1 C37 93(2) . .
P1 Ir1 B1 C1 38.9(3) . .
P3 Ir1 B1 C1 -112.1(3) . .
P2 Ir1 B1 C1 143.3(4) . .
P4 Ir1 B1 C1 -29(2) . .
P1 Ir1 B1 C19 -74.1(3) . .
P3 Ir1 B1 C19 134.9(3) . .
P2 Ir1 B1 C19 30.2(3) . .
P4 Ir1 B1 C19 -141.7(19) . .
P3 Ir1 P1 C6 21.4(2) . .
P2 Ir1 P1 C6 -107.50(17) . .
B1 Ir1 P1 C6 -32.5(2) . .
P4 Ir1 P1 C6 143.60(17) . .
P3 Ir1 P1 C13 141.2(2) . .
P2 Ir1 P1 C13 12.3(2) . .
B1 Ir1 P1 C13 87.3(3) . .
P4 Ir1 P1 C13 -96.6(2) . .
P3 Ir1 P1 C7 -90.7(2) . .
P2 Ir1 P1 C7 140.3(2) . .
B1 Ir1 P1 C7 -144.7(3) . .
P4 Ir1 P1 C7 31.4(2) . .
C37 B1 C1 C2 26.8(7) . .
C19 B1 C1 C2 -94.1(6) . .
Ir1 B1 C1 C2 149.7(5) . .
C37 B1 C1 C6 -161.5(5) . .
C19 B1 C1 C6 77.6(5) . .
Ir1 B1 C1 C6 -38.6(5) . .
C6 C1 C2 C3 -2.1(8) . .
B1 C1 C2 C3 169.7(5) . .
C1 C2 C3 C4 -0.6(8) . .
C2 C3 C4 C5 2.3(8) . .
C3 C4 C5 C6 -1.4(8) . .
C4 C5 C6 C1 -1.4(8) . .
C4 C5 C6 P1 178.6(4) . .
C2 C1 C6 C5 3.0(8) . .
B1 C1 C6 C5 -169.6(5) . .
C2 C1 C6 P1 -177.0(4) . .
B1 C1 C6 P1 10.4(6) . .
C13 P1 C6 C5 70.8(5) . .
C7 P1 C6 C5 -35.4(5) . .
Ir1 P1 C6 C5 -157.3(4) . .
C13 P1 C6 C1 -109.2(4) . .
C7 P1 C6 C1 144.7(4) . .
Ir1 P1 C6 C1 22.7(4) . .
C6 P1 C7 C8 -63.6(5) . .
C13 P1 C7 C8 -170.8(5) . .
Ir1 P1 C7 C8 51.3(5) . .
C6 P1 C7 C12 114.8(5) . .
C13 P1 C7 C12 7.6(6) . .
Ir1 P1 C7 C12 -130.3(5) . .
C12 C7 C8 C9 2.2(9) . .
P1 C7 C8 C9 -179.3(5) . .
C7 C8 C9 C10 0.8(10) . .
C8 C9 C10 C11 -2.4(11) . .
C9 C10 C11 C12 1.1(11) . .
C8 C7 C12 C11 -3.6(9) . .
P1 C7 C12 C11 178.1(5) . .
C10 C11 C12 C7 2.0(10) . .
C6 P1 C13 C14 4.3(5) . .
C7 P1 C13 C14 109.7(5) . .
Ir1 P1 C13 C14 -116.7(4) . .
C6 P1 C13 C18 -178.2(4) . .
C7 P1 C13 C18 -72.7(5) . .
Ir1 P1 C13 C18 60.9(5) . .
C18 C13 C14 C15 0.4(8) . .
P1 C13 C14 C15 177.9(4) . .
C13 C14 C15 C16 -1.8(9) . .
C14 C15 C16 C17 2.3(9) . .
C15 C16 C17 C18 -1.3(9) . .
C16 C17 C18 C13 -0.1(9) . .
C14 C13 C18 C17 0.5(9) . .
P1 C13 C18 C17 -177.1(5) . .
P1 Ir1 P2 C24 44.0(2) . .
P3 Ir1 P2 C24 -107.9(2) . .
B1 Ir1 P2 C24 -30.0(2) . .
P4 Ir1 P2 C24 149.4(2) . .
P1 Ir1 P2 C31 158.2(2) . .
P3 Ir1 P2 C31 6.3(2) . .
B1 Ir1 P2 C31 84.2(3) . .
P4 Ir1 P2 C31 -96.4(2) . .
P1 Ir1 P2 C25 -78.1(2) . .
P3 Ir1 P2 C25 130.0(2) . .
B1 Ir1 P2 C25 -152.1(3) . .
P4 Ir1 P2 C25 27.3(2) . .
C37 B1 C19 C24 101.7(6) . .
C1 B1 C19 C24 -138.3(5) . .
Ir1 B1 C19 C24 -23.7(6) . .
C37 B1 C19 C20 -79.0(6) . .
C1 B1 C19 C20 41.1(6) . .
Ir1 B1 C19 C20 155.6(4) . .
C24 C19 C20 C21 2.2(8) . .
B1 C19 C20 C21 -177.2(5) . .
C19 C20 C21 C22 -1.2(9) . .
C20 C21 C22 C23 0.0(10) . .
C21 C22 C23 C24 0.1(10) . .
C20 C19 C24 C23 -2.2(8) . .
B1 C19 C24 C23 177.2(5) . .
C20 C19 C24 P2 177.8(4) . .
B1 C19 C24 P2 -2.8(6) . .
C22 C23 C24 C19 1.1(9) . .
C22 C23 C24 P2 -178.9(5) . .
C31 P2 C24 C19 -96.9(4) . .
C25 P2 C24 C19 161.8(4) . .
Ir1 P2 C24 C19 27.6(4) . .
C31 P2 C24 C23 83.0(6) . .
C25 P2 C24 C23 -18.3(6) . .
Ir1 P2 C24 C23 -152.4(5) . .
C24 P2 C25 C30 -114.6(5) . .
C31 P2 C25 C30 140.3(5) . .
Ir1 P2 C25 C30 8.1(6) . .
C24 P2 C25 C26 63.2(6) . .
C31 P2 C25 C26 -41.8(6) . .
Ir1 P2 C25 C26 -174.1(4) . .
C30 C25 C26 C27 1.7(10) . .
P2 C25 C26 C27 -176.2(5) . .
C25 C26 C27 C28 -0.9(11) . .
C26 C27 C28 C29 -1.1(12) . .
C27 C28 C29 C30 2.3(12) . .
C26 C25 C30 C29 -0.5(10) . .
P2 C25 C30 C29 177.4(5) . .
C28 C29 C30 C25 -1.5(11) . .
C24 P2 C31 C32 23.3(6) . .
C25 P2 C31 C32 130.4(6) . .
Ir1 P2 C31 C32 -93.0(5) . .
C24 P2 C31 C36 -156.4(5) . .
C25 P2 C31 C36 -49.3(5) . .
Ir1 P2 C31 C36 87.3(5) . .
C36 C31 C32 C33 1.6(10) . .
P2 C31 C32 C33 -178.1(6) . .
C31 C32 C33 C34 -0.4(13) . .
C32 C33 C34 C35 -0.6(13) . .
C33 C34 C35 C36 0.5(12) . .
C32 C31 C36 C35 -1.8(9) . .
P2 C31 C36 C35 178.0(5) . .
C34 C35 C36 C31 0.7(11) . .
P1 Ir1 P3 C42 -56.9(2) . .
P2 Ir1 P3 C42 71.74(18) . .
B1 Ir1 P3 C42 -3.9(2) . .
P4 Ir1 P3 C42 -179.83(18) . .
P1 Ir1 P3 C43 -178.8(2) . .
P2 Ir1 P3 C43 -50.2(2) . .
B1 Ir1 P3 C43 -125.9(3) . .
P4 Ir1 P3 C43 58.2(2) . .
P1 Ir1 P3 C49 56.6(2) . .
P2 Ir1 P3 C49 -174.8(2) . .
B1 Ir1 P3 C49 109.5(3) . .
P4 Ir1 P3 C49 -66.4(2) . .
C1 B1 C37 C42 104.2(6) . .
C19 B1 C37 C42 -139.2(5) . .
Ir1 B1 C37 C42 -15.5(6) . .
C1 B1 C37 C38 -70.6(6) . .
C19 B1 C37 C38 45.9(7) . .
Ir1 B1 C37 C38 169.6(4) . .
C42 C37 C38 C39 -4.4(8) . .
B1 C37 C38 C39 170.6(5) . .
C37 C38 C39 C40 -0.7(9) . .
C38 C39 C40 C41 3.7(9) . .
C39 C40 C41 C42 -1.4(9) . .
C38 C37 C42 C41 6.8(8) . .
B1 C37 C42 C41 -168.4(5) . .
C38 C37 C42 P3 -172.6(4) . .
B1 C37 C42 P3 12.2(6) . .
C40 C41 C42 C37 -4.1(9) . .
C40 C41 C42 P3 175.2(5) . .
C43 P3 C42 C37 130.4(4) . .
C49 P3 C42 C37 -124.7(4) . .
Ir1 P3 C42 C37 -3.0(4) . .
C43 P3 C42 C41 -49.0(5) . .
C49 P3 C42 C41 56.0(5) . .
Ir1 P3 C42 C41 177.6(4) . .
C42 P3 C43 C44 -14.2(6) . .
C49 P3 C43 C44 -119.3(5) . .
Ir1 P3 C43 C44 110.4(5) . .
C42 P3 C43 C48 167.4(5) . .
C49 P3 C43 C48 62.3(6) . .
Ir1 P3 C43 C48 -68.0(6) . .
C48 C43 C44 C45 -1.7(9) . .
P3 C43 C44 C45 179.8(5) . .
C43 C44 C45 C46 0.3(11) . .
C44 C45 C46 C47 1.4(12) . .
C45 C46 C47 C48 -1.6(12) . .
C46 C47 C48 C43 0.0(12) . .
C44 C43 C48 C47 1.6(10) . .
P3 C43 C48 C47 -179.9(6) . .
C42 P3 C49 C50 69.6(5) . .
C43 P3 C49 C50 176.1(5) . .
Ir1 P3 C49 C50 -48.3(5) . .
C42 P3 C49 C54 -107.8(5) . .
C43 P3 C49 C54 -1.4(6) . .
Ir1 P3 C49 C54 134.3(5) . .
C54 C49 C50 C51 -1.6(9) . .
P3 C49 C50 C51 -179.2(5) . .
C49 C50 C51 C52 0.5(10) . .
C50 C51 C52 C53 0.7(11) . .
C51 C52 C53 C54 -0.9(12) . .
C50 C49 C54 C53 1.5(10) . .
P3 C49 C54 C53 178.9(5) . .
C52 C53 C54 C49 -0.3(11) . .
P1 Ir1 P4 C56 138.6(3) . .
P3 Ir1 P4 C56 -71.9(3) . .
P2 Ir1 P4 C56 33.6(3) . .
B1 Ir1 P4 C56 -155(2) . .
P1 Ir1 P4 C57 -100.9(3) . .
P3 Ir1 P4 C57 48.6(3) . .
P2 Ir1 P4 C57 154.0(3) . .
B1 Ir1 P4 C57 -34(2) . .
P1 Ir1 P4 C55 16.1(3) . .
P3 Ir1 P4 C55 165.6(3) . .
P2 Ir1 P4 C55 -89.0(3) . .
B1 Ir1 P4 C55 83(2) . .
Cl2 C58 Cl2B Cl2B 37.662(2) . 2
Cl1 C58 Cl2B Cl2B -67.0 . 2
Cl4 Cl3 C59 Cl4 -53.301(3) 2 .
Cl4 C59 Cl4 C59 70.995(3) 2 2
Cl3 C59 Cl4 C59 163.525(2) . 2
Cl3 C59 Cl4 Cl4 92.529(3) . 2
Cl4 C59 Cl4 Cl3 43.164(2) 2 2
Cl3 C59 Cl4 Cl3 135.7 . 2
