#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/95/7019524.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_7019524
loop_
_publ_author_name
'Kameo, Hajime'
'Ishii, Sho'
'Nakazawa, Hiroshi'
_publ_section_title
;
 Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E =
 Si, Ge, and Sn) ligand and evaluation of electron donating ability of
 group 14 elements E.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8290
_journal_page_last               8296
_journal_paper_doi               10.1039/c2dt30546a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C57 H52 Ir O3 P4 Si, B F4, 2.5(C H2 Cl2)'
_chemical_formula_sum            'C59.5 H57 B Cl5 F4 Ir O3 P4 Si'
_chemical_formula_weight         1428.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.6923(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.7796(7)
_cell_length_b                   21.9897(8)
_cell_length_c                   20.0025(10)
_cell_measurement_reflns_used    15951
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0033
_cell_volume                     6193.3(5)
_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 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details
;
scan:
Number of images: 600
Slice: -80.0000 - 100.0000
Image width: 0.3000
Exp time: 5.0000
Rotation axis: Phi
Omega: 0.0000
Chi: 0.0000
Phi: 0.0000
XTD: 55.2617
2theta: 24.7923
scan:
Number of images: 200
Slice: -15.0000 - 45.0000
Image width: 0.3000
Exp time: 5.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 0.0000
XTD: 55.2617
2theta: 24.7923
scan:
Number of images: 200
Slice: -15.0000 - 45.0000
Image width: 0.3000
Exp time: 5.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 90.0000
XTD: 55.2617
2theta: 24.7923
scan:
Number of images: 200
Slice: -15.0000 - 45.0000
Image width: 0.3000
Exp time: 5.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 180.0000
XTD: 55.2617
2theta: 24.7923
scan:
Number of images: 200
Slice: -15.0000 - 45.0000
Image width: 0.3000
Exp time: 5.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 270.0000
XTD: 55.2617
2theta: 24.7923

;
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            46950
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.00
_exptl_absorpt_coefficient_mu    2.549
_exptl_absorpt_correction_T_max  0.7010
_exptl_absorpt_correction_T_min  0.5151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2860
_exptl_crystal_preparation
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.406
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         13873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0430
_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)+(0.0396P)²+15.1861P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                12771
_reflns_number_total             13873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30546a.txt
_cod_data_source_block           9
_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_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C59.50 H57 B Cl5 F4 Ir O3 P4 Si'
_cod_database_code               7019524
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Ir1 Ir 0.154775(9) 0.217862(6) 0.691210(7) 0.02008(5) Uani 1 1 d .
H1IR H 0.212(3) 0.258(2) 0.750(2) 0.024 Uiso 1 1 d .
P1 P 0.04323(7) 0.29231(5) 0.63985(5) 0.0273(2) Uani 1 1 d .
O1 O 0.0824(2) 0.33675(14) 0.59267(16) 0.0361(7) Uani 1 1 d .
C1 C 0.0408(5) 0.3925(3) 0.5586(4) 0.0698(19) Uani 1 1 d .
H1 H -0.0137 0.4036 0.5742 0.105 Uiso 1 1 calc R
H1A H 0.0198 0.3866 0.5076 0.105 Uiso 1 1 calc R
H1B H 0.0882 0.4251 0.5708 0.105 Uiso 1 1 calc R
O2 O -0.0532(2) 0.26403(14) 0.59176(16) 0.0352(7) Uani 1 1 d .
C2 C -0.1364(4) 0.2985(3) 0.5552(4) 0.072(2) Uani 1 1 d .
H2 H -0.1354 0.3377 0.5787 0.108 Uiso 1 1 calc R
H2A H -0.1935 0.2759 0.5554 0.108 Uiso 1 1 calc R
H2B H -0.1370 0.3054 0.5067 0.108 Uiso 1 1 calc R
O3 O -0.0008(2) 0.33600(14) 0.68584(16) 0.0371(7) Uani 1 1 d .
C3 C 0.0528(4) 0.3809(2) 0.7337(3) 0.0483(12) Uani 1 1 d .
H3 H 0.0997 0.3607 0.7728 0.072 Uiso 1 1 calc R
H3A H 0.0098 0.4052 0.7518 0.072 Uiso 1 1 calc R
H3B H 0.0855 0.4075 0.7092 0.072 Uiso 1 1 calc R
Si1 Si 0.26847(7) 0.14207(5) 0.74033(5) 0.0211(2) Uani 1 1 d .
P2 P 0.27883(7) 0.25418(5) 0.65178(5) 0.0247(2) Uani 1 1 d .
C4 C 0.3895(3) 0.17353(18) 0.75063(19) 0.0246(7) Uani 1 1 d .
C5 C 0.4758(3) 0.14882(19) 0.7917(2) 0.0291(8) Uani 1 1 d .
H5 H 0.4753 0.1147 0.8207 0.035 Uiso 1 1 calc R
C6 C 0.5618(3) 0.1731(2) 0.7909(2) 0.0364(10) Uani 1 1 d .
H6 H 0.6197 0.1553 0.8186 0.044 Uiso 1 1 calc R
C7 C 0.5633(3) 0.2233(2) 0.7496(3) 0.0392(10) Uani 1 1 d .
H7 H 0.6223 0.2406 0.7498 0.047 Uiso 1 1 calc R
C8 C 0.4790(3) 0.2484(2) 0.7077(2) 0.0356(9) Uani 1 1 d .
H8 H 0.4803 0.2824 0.6787 0.043 Uiso 1 1 calc R
C9 C 0.3922(3) 0.22375(18) 0.70835(19) 0.0246(8) Uani 1 1 d .
C10 C 0.3024(3) 0.33615(19) 0.6598(2) 0.0313(9) Uani 1 1 d .
C11 C 0.2774(3) 0.37016(19) 0.7095(2) 0.0325(9) Uani 1 1 d .
H11 H 0.2431 0.3512 0.7371 0.039 Uiso 1 1 calc R
C12 C 0.3011(3) 0.4313(2) 0.7204(3) 0.0430(11) Uani 1 1 d .
H12 H 0.2825 0.4539 0.7545 0.052 Uiso 1 1 calc R
C13 C 0.3518(4) 0.4592(2) 0.6813(3) 0.0489(13) Uani 1 1 d .
H13 H 0.3676 0.5011 0.6881 0.059 Uiso 1 1 calc R
C14 C 0.3790(4) 0.4263(3) 0.6330(4) 0.0606(15) Uani 1 1 d .
H14 H 0.4147 0.4453 0.6065 0.073 Uiso 1 1 calc R
C15 C 0.3552(4) 0.3653(2) 0.6221(3) 0.0496(12) Uani 1 1 d .
H15 H 0.3751 0.3431 0.5884 0.060 Uiso 1 1 calc R
C16 C 0.2844(3) 0.2348(2) 0.5641(2) 0.0382(10) Uani 1 1 d .
C17 C 0.3227(3) 0.1788(3) 0.5544(3) 0.0454(12) Uani 1 1 d .
H17 H 0.3493 0.1528 0.5934 0.054 Uiso 1 1 calc R
C18 C 0.3219(4) 0.1611(4) 0.4875(3) 0.071(2) Uani 1 1 d .
H18 H 0.3473 0.1227 0.4809 0.086 Uiso 1 1 calc R
C19 C 0.2854(5) 0.1979(5) 0.4316(3) 0.092(3) Uani 1 1 d .
H19 H 0.2851 0.1850 0.3862 0.110 Uiso 1 1 calc R
C20 C 0.2484(5) 0.2541(5) 0.4401(3) 0.087(3) Uani 1 1 d .
H20 H 0.2242 0.2801 0.4008 0.105 Uiso 1 1 calc R
C21 C 0.2468(4) 0.2724(3) 0.5062(3) 0.0608(17) Uani 1 1 d .
H21 H 0.2200 0.3106 0.5120 0.073 Uiso 1 1 calc R
P3 P 0.08839(7) 0.13900(4) 0.60922(5) 0.02230(19) Uani 1 1 d .
C22 C 0.2562(3) 0.07884(17) 0.67426(18) 0.0229(7) Uani 1 1 d .
C23 C 0.3243(3) 0.03292(19) 0.6809(2) 0.0293(8) Uani 1 1 d .
H23 H 0.3755 0.0296 0.7231 0.035 Uiso 1 1 calc R
C24 C 0.3177(3) -0.0077(2) 0.6266(2) 0.0371(10) Uani 1 1 d .
H24 H 0.3635 -0.0391 0.6321 0.045 Uiso 1 1 calc R
C25 C 0.2446(3) -0.0023(2) 0.5644(2) 0.0375(10) Uani 1 1 d .
H25 H 0.2415 -0.0294 0.5268 0.045 Uiso 1 1 calc R
C26 C 0.1759(3) 0.04211(19) 0.5565(2) 0.0314(9) Uani 1 1 d .
H26 H 0.1256 0.0453 0.5138 0.038 Uiso 1 1 calc R
C27 C 0.1809(3) 0.08231(17) 0.61164(19) 0.0248(7) Uani 1 1 d .
C28 C 0.0309(3) 0.15477(19) 0.51601(19) 0.0276(8) Uani 1 1 d .
C29 C 0.0435(3) 0.2110(2) 0.4883(2) 0.0368(10) Uani 1 1 d .
H29 H 0.0816 0.2410 0.5179 0.044 Uiso 1 1 calc R
C30 C 0.0008(4) 0.2235(3) 0.4177(3) 0.0511(13) Uani 1 1 d .
H30 H 0.0101 0.2619 0.3991 0.061 Uiso 1 1 calc R
C31 C -0.0552(4) 0.1802(3) 0.3745(2) 0.0483(13) Uani 1 1 d .
H31 H -0.0841 0.1888 0.3262 0.058 Uiso 1 1 calc R
C32 C -0.0694(3) 0.1249(2) 0.4009(2) 0.0392(10) Uani 1 1 d .
H32 H -0.1085 0.0954 0.3709 0.047 Uiso 1 1 calc R
C33 C -0.0266(3) 0.1116(2) 0.4717(2) 0.0323(9) Uani 1 1 d .
H33 H -0.0367 0.0731 0.4898 0.039 Uiso 1 1 calc R
C34 C -0.0034(3) 0.09048(19) 0.62570(18) 0.0265(8) Uani 1 1 d .
C35 C 0.0154(3) 0.0313(2) 0.6502(2) 0.0359(9) Uani 1 1 d .
H35 H 0.0787 0.0163 0.6634 0.043 Uiso 1 1 calc R
C36 C -0.0583(4) -0.0065(2) 0.6555(3) 0.0483(12) Uani 1 1 d .
H36 H -0.0451 -0.0471 0.6721 0.058 Uiso 1 1 calc R
C37 C -0.1499(4) 0.0151(3) 0.6367(3) 0.0481(12) Uani 1 1 d .
H37 H -0.2002 -0.0108 0.6395 0.058 Uiso 1 1 calc R
C38 C -0.1687(3) 0.0743(2) 0.6139(2) 0.0396(10) Uani 1 1 d .
H38 H -0.2319 0.0893 0.6018 0.048 Uiso 1 1 calc R
C39 C -0.0962(3) 0.1121(2) 0.6084(2) 0.0306(8) Uani 1 1 d .
H39 H -0.1099 0.1529 0.5928 0.037 Uiso 1 1 calc R
P4 P 0.09846(7) 0.19205(4) 0.78447(5) 0.02243(19) Uani 1 1 d .
C40 C 0.2538(3) 0.11324(18) 0.82508(18) 0.0247(7) Uani 1 1 d .
C41 C 0.3159(3) 0.07312(19) 0.8716(2) 0.0294(8) Uani 1 1 d .
H41 H 0.3688 0.0568 0.8600 0.035 Uiso 1 1 calc R
C42 C 0.3009(3) 0.0570(2) 0.9343(2) 0.0353(9) Uani 1 1 d .
H42 H 0.3431 0.0296 0.9654 0.042 Uiso 1 1 calc R
C43 C 0.2238(3) 0.0811(2) 0.9518(2) 0.0356(9) Uani 1 1 d .
H43 H 0.2138 0.0702 0.9950 0.043 Uiso 1 1 calc R
C44 C 0.1620(3) 0.1207(2) 0.9068(2) 0.0324(9) Uani 1 1 d .
H44 H 0.1100 0.1374 0.9192 0.039 Uiso 1 1 calc R
C45 C 0.1758(3) 0.13606(18) 0.84280(19) 0.0259(8) Uani 1 1 d .
C46 C -0.0229(3) 0.16593(19) 0.7706(2) 0.0278(8) Uani 1 1 d .
C47 C -0.0453(3) 0.1102(2) 0.7941(2) 0.0371(10) Uani 1 1 d .
H47 H 0.0039 0.0823 0.8156 0.045 Uiso 1 1 calc R
C48 C -0.1391(4) 0.0951(3) 0.7862(3) 0.0531(13) Uani 1 1 d .
H48 H -0.1538 0.0567 0.8020 0.064 Uiso 1 1 calc R
C49 C -0.2109(4) 0.1353(3) 0.7558(3) 0.0529(14) Uani 1 1 d .
H49 H -0.2747 0.1253 0.7525 0.064 Uiso 1 1 calc R
C50 C -0.1904(3) 0.1900(3) 0.7302(3) 0.0468(12) Uani 1 1 d .
H50 H -0.2402 0.2173 0.7078 0.056 Uiso 1 1 calc R
C51 C -0.0968(3) 0.2051(2) 0.7370(2) 0.0364(10) Uani 1 1 d .
H51 H -0.0830 0.2426 0.7186 0.044 Uiso 1 1 calc R
C52 C 0.1087(3) 0.25389(18) 0.8485(2) 0.0283(8) Uani 1 1 d .
C53 C 0.1977(3) 0.2793(2) 0.8802(2) 0.0316(9) Uani 1 1 d .
H53 H 0.2505 0.2656 0.8666 0.038 Uiso 1 1 calc R
C54 C 0.2110(3) 0.3239(2) 0.9309(2) 0.0394(10) Uani 1 1 d .
H54 H 0.2726 0.3405 0.9518 0.047 Uiso 1 1 calc R
C55 C 0.1357(4) 0.3444(3) 0.9511(3) 0.0522(13) Uani 1 1 d .
H55 H 0.1446 0.3752 0.9858 0.063 Uiso 1 1 calc R
C56 C 0.0479(4) 0.3200(3) 0.9210(4) 0.0661(18) Uani 1 1 d .
H56 H -0.0046 0.3346 0.9345 0.079 Uiso 1 1 calc R
C57 C 0.0340(4) 0.2743(3) 0.8710(3) 0.0503(13) Uani 1 1 d .
H57 H -0.0273 0.2568 0.8520 0.060 Uiso 1 1 calc R
B1 B 0.6226(5) 0.0117(3) 0.8670(3) 0.0520(15) Uani 1 1 d .
F1 F 0.5328(4) 0.0086(2) 0.8236(4) 0.150(3) Uani 1 1 d .
F2 F 0.6532(3) -0.04481(17) 0.89227(18) 0.0710(10) Uani 1 1 d .
F3 F 0.6287(6) 0.0524(3) 0.9157(3) 0.172(3) Uani 1 1 d .
F4 F 0.6714(5) 0.0308(3) 0.8245(4) 0.154(3) Uani 1 1 d .
C58 C 0.5789(7) 0.0338(5) 0.6569(4) 0.109(3) Uani 1 1 d .
H58 H 0.6426 0.0360 0.6919 0.131 Uiso 1 1 calc R
H58A H 0.5317 0.0296 0.6827 0.131 Uiso 1 1 calc R
Cl1 Cl 0.5736(3) -0.0285(2) 0.6063(3) 0.210(2) Uani 1 1 d .
Cl2 Cl 0.55693(17) 0.10182(14) 0.60879(13) 0.1151(8) Uani 1 1 d .
C59 C 0.7089(8) 0.3911(5) 0.6807(6) 0.123(4) Uani 1 1 d .
Cl3 Cl 0.7985(3) 0.3529(2) 0.7398(2) 0.1352(15) Uani 0.70 1 d P
Cl4 Cl 0.6262(3) 0.4143(2) 0.7149(3) 0.1476(17) Uani 0.70 1 d P
Cl5 Cl 0.6494(4) 0.3341(3) 0.6133(3) 0.147(2) Uani 0.60 1 d P
C60 C 0.376(3) 0.443(3) 0.4550(14) 0.29(3) Uani 0.50 1 d P
H60 H 0.3362 0.4474 0.4056 0.349 Uiso 0.50 1 calc PR
H60A H 0.3369 0.4497 0.4868 0.349 Uiso 0.50 1 calc PR
Cl6 Cl 0.4378(9) 0.3686(6) 0.4711(5) 0.249(5) Uani 0.50 1 d P
Cl7 Cl 0.4667(15) 0.4834(6) 0.4736(8) 0.266(10) Uani 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
P1 Ir1 P4 98.46(4) .
P1 Ir1 P2 97.66(4) .
P4 Ir1 P2 149.03(3) .
P1 Ir1 Si1 178.47(4) .
P4 Ir1 Si1 82.94(3) .
P2 Ir1 Si1 81.36(4) .
P1 Ir1 P3 96.88(3) .
P4 Ir1 P3 101.60(3) .
P2 Ir1 P3 102.52(3) .
Si1 Ir1 P3 82.22(3) .
P1 Ir1 H1IR 94.8(16) .
P4 Ir1 H1IR 76.5(16) .
P2 Ir1 H1IR 76.0(16) .
Si1 Ir1 H1IR 86.2(16) .
P3 Ir1 H1IR 168.4(16) .
O2 P1 O1 107.75(17) .
O2 P1 O3 97.86(17) .
O1 P1 O3 104.97(18) .
O2 P1 Ir1 112.18(12) .
O1 P1 Ir1 110.98(12) .
O3 P1 Ir1 121.72(12) .
C1 O1 P1 128.6(3) .
O1 C1 H1 109.5 .
O1 C1 H1A 109.5 .
H1 C1 H1A 109.5 .
O1 C1 H1B 109.5 .
H1 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
C2 O2 P1 125.0(3) .
O2 C2 H2 109.5 .
O2 C2 H2A 109.5 .
H2 C2 H2A 109.5 .
O2 C2 H2B 109.5 .
H2 C2 H2B 109.5 .
H2A C2 H2B 109.5 .
C3 O3 P1 124.0(3) .
O3 C3 H3 109.5 .
O3 C3 H3A 109.5 .
H3 C3 H3A 109.5 .
O3 C3 H3B 109.5 .
H3 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C4 Si1 C40 113.18(17) .
C4 Si1 C22 103.57(17) .
C40 Si1 C22 111.67(17) .
C4 Si1 Ir1 108.72(13) .
C40 Si1 Ir1 110.50(13) .
C22 Si1 Ir1 108.91(11) .
C16 P2 C10 104.5(2) .
C16 P2 C9 101.92(19) .
C10 P2 C9 100.99(18) .
C16 P2 Ir1 120.68(15) .
C10 P2 Ir1 116.91(14) .
C9 P2 Ir1 109.18(13) .
C9 C4 C5 118.2(4) .
C9 C4 Si1 115.3(3) .
C5 C4 Si1 126.3(3) .
C6 C5 C4 121.4(4) .
C6 C5 H5 119.3 .
C4 C5 H5 119.3 .
C7 C6 C5 119.7(4) .
C7 C6 H6 120.1 .
C5 C6 H6 120.1 .
C6 C7 C8 120.3(4) .
C6 C7 H7 119.8 .
C8 C7 H7 119.8 .
C7 C8 C9 119.9(4) .
C7 C8 H8 120.1 .
C9 C8 H8 120.1 .
C8 C9 C4 120.5(4) .
C8 C9 P2 121.4(3) .
C4 C9 P2 118.1(3) .
C11 C10 C15 117.1(4) .
C11 C10 P2 120.6(3) .
C15 C10 P2 121.9(4) .
C10 C11 C12 121.7(4) .
C10 C11 H11 119.1 .
C12 C11 H11 119.1 .
C13 C12 C11 119.8(5) .
C13 C12 H12 120.1 .
C11 C12 H12 120.1 .
C14 C13 C12 119.5(5) .
C14 C13 H13 120.2 .
C12 C13 H13 120.2 .
C13 C14 C15 120.7(5) .
C13 C14 H14 119.7 .
C15 C14 H14 119.7 .
C14 C15 C10 121.1(5) .
C14 C15 H15 119.5 .
C10 C15 H15 119.5 .
C17 C16 C21 119.0(5) .
C17 C16 P2 118.6(4) .
C21 C16 P2 122.3(4) .
C18 C17 C16 119.8(6) .
C18 C17 H17 120.1 .
C16 C17 H17 120.1 .
C19 C18 C17 120.9(7) .
C19 C18 H18 119.6 .
C17 C18 H18 119.6 .
C18 C19 C20 120.5(6) .
C18 C19 H19 119.8 .
C20 C19 H19 119.8 .
C19 C20 C21 119.8(6) .
C19 C20 H20 120.1 .
C21 C20 H20 120.1 .
C20 C21 C16 120.1(7) .
C20 C21 H21 120.0 .
C16 C21 H21 120.0 .
C28 P3 C34 98.84(18) .
C28 P3 C27 105.43(17) .
C34 P3 C27 100.70(18) .
C28 P3 Ir1 121.95(14) .
C34 P3 Ir1 118.17(12) .
C27 P3 Ir1 109.12(12) .
C27 C22 C23 118.4(3) .
C27 C22 Si1 117.8(3) .
C23 C22 Si1 123.4(3) .
C24 C23 C22 120.8(4) .
C24 C23 H23 119.6 .
C22 C23 H23 119.6 .
C25 C24 C23 120.0(4) .
C25 C24 H24 120.0 .
C23 C24 H24 120.0 .
C26 C25 C24 120.5(4) .
C26 C25 H25 119.7 .
C24 C25 H25 119.7 .
C25 C26 C27 119.7(4) .
C25 C26 H26 120.1 .
C27 C26 H26 120.1 .
C26 C27 C22 120.5(4) .
C26 C27 P3 123.2(3) .
C22 C27 P3 116.2(3) .
C29 C28 C33 118.7(4) .
C29 C28 P3 119.8(3) .
C33 C28 P3 121.5(3) .
C30 C29 C28 120.5(4) .
C30 C29 H29 119.8 .
C28 C29 H29 119.8 .
C31 C30 C29 120.0(5) .
C31 C30 H30 120.0 .
C29 C30 H30 120.0 .
C32 C31 C30 120.4(4) .
C32 C31 H31 119.8 .
C30 C31 H31 119.8 .
C31 C32 C33 120.2(4) .
C31 C32 H32 119.9 .
C33 C32 H32 119.9 .
C32 C33 C28 120.2(4) .
C32 C33 H33 119.9 .
C28 C33 H33 119.9 .
C35 C34 C39 119.0(4) .
C35 C34 P3 121.9(3) .
C39 C34 P3 118.9(3) .
C34 C35 C36 120.4(4) .
C34 C35 H35 119.8 .
C36 C35 H35 119.8 .
C37 C36 C35 119.9(5) .
C37 C36 H36 120.0 .
C35 C36 H36 120.0 .
C36 C37 C38 119.9(5) .
C36 C37 H37 120.0 .
C38 C37 H37 120.0 .
C37 C38 C39 120.6(4) .
C37 C38 H38 119.7 .
C39 C38 H38 119.7 .
C38 C39 C34 120.1(4) .
C38 C39 H39 120.0 .
C34 C39 H39 120.0 .
C46 P4 C45 106.23(19) .
C46 P4 C52 101.99(18) .
C45 P4 C52 98.57(17) .
C46 P4 Ir1 121.92(13) .
C45 P4 Ir1 111.50(13) .
C52 P4 Ir1 113.76(14) .
C45 C40 C41 118.8(4) .
C45 C40 Si1 115.9(3) .
C41 C40 Si1 125.3(3) .
C42 C41 C40 120.6(4) .
C42 C41 H41 119.7 .
C40 C41 H41 119.7 .
C41 C42 C43 119.9(4) .
C41 C42 H42 120.0 .
C43 C42 H42 120.0 .
C44 C43 C42 120.4(4) .
C44 C43 H43 119.8 .
C42 C43 H43 119.8 .
C43 C44 C45 119.9(4) .
C43 C44 H44 120.1 .
C45 C44 H44 120.1 .
C40 C45 C44 120.5(4) .
C40 C45 P4 118.8(3) .
C44 C45 P4 120.5(3) .
C47 C46 C51 118.5(4) .
C47 C46 P4 123.5(3) .
C51 C46 P4 118.0(3) .
C46 C47 C48 120.4(5) .
C46 C47 H47 119.8 .
C48 C47 H47 119.8 .
C49 C48 C47 120.5(5) .
C49 C48 H48 119.8 .
C47 C48 H48 119.8 .
C48 C49 C50 119.9(5) .
C48 C49 H49 120.0 .
C50 C49 H49 120.0 .
C49 C50 C51 119.8(5) .
C49 C50 H50 120.1 .
C51 C50 H50 120.1 .
C50 C51 C46 120.8(5) .
C50 C51 H51 119.6 .
C46 C51 H51 119.6 .
C57 C52 C53 117.3(4) .
C57 C52 P4 123.9(3) .
C53 C52 P4 118.6(3) .
C54 C53 C52 121.5(4) .
C54 C53 H53 119.2 .
C52 C53 H53 119.2 .
C55 C54 C53 120.1(4) .
C55 C54 H54 119.9 .
C53 C54 H54 119.9 .
C56 C55 C54 119.4(4) .
C56 C55 H55 120.3 .
C54 C55 H55 120.3 .
C55 C56 C57 121.0(5) .
C55 C56 H56 119.5 .
C57 C56 H56 119.5 .
C52 C57 C56 120.6(5) .
C52 C57 H57 119.7 .
C56 C57 H57 119.7 .
F3 B1 F4 109.4(7) .
F3 B1 F1 110.3(7) .
F4 B1 F1 102.8(6) .
F3 B1 F2 114.1(5) .
F4 B1 F2 109.8(6) .
F1 B1 F2 110.0(6) .
Cl1 C58 Cl2 113.3(5) .
Cl1 C58 H58 108.9 .
Cl2 C58 H58 108.9 .
Cl1 C58 H58A 108.9 .
Cl2 C58 H58A 108.9 .
H58 C58 H58A 107.7 .
Cl4 C59 Cl3 112.4(7) .
Cl4 C59 Cl5 105.2(6) .
Cl3 C59 Cl5 105.6(6) .
Cl7 C60 Cl6 96.9(16) .
Cl7 C60 H60 112.4 .
Cl6 C60 H60 112.4 .
Cl7 C60 H60A 112.4 .
Cl6 C60 H60A 112.4 .
H60 C60 H60A 109.9 .
Cl7 Cl7 C60 146.1(19) 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 P1 2.3289(10) .
Ir1 P4 2.3321(10) .
Ir1 P2 2.3453(10) .
Ir1 Si1 2.3586(10) .
Ir1 P3 2.3837(9) .
Ir1 H1IR 1.51(4) .
P1 O2 1.585(3) .
P1 O1 1.585(3) .
P1 O3 1.599(3) .
O1 C1 1.447(6) .
C1 H1 0.9800 .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
O2 C2 1.440(6) .
C2 H2 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
O3 C3 1.435(6) .
C3 H3 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
Si1 C4 1.870(4) .
Si1 C40 1.883(4) .
Si1 C22 1.889(4) .
P2 C16 1.830(4) .
P2 C10 1.834(4) .
P2 C9 1.839(4) .
C4 C9 1.399(5) .
C4 C5 1.400(5) .
C5 C6 1.383(6) .
C5 H5 0.9500 .
C6 C7 1.383(7) .
C6 H6 0.9500 .
C7 C8 1.387(6) .
C7 H7 0.9500 .
C8 C9 1.396(6) .
C8 H8 0.9500 .
C10 C11 1.382(6) .
C10 C15 1.395(6) .
C11 C12 1.391(6) .
C11 H11 0.9500 .
C12 C13 1.379(7) .
C12 H12 0.9500 .
C13 C14 1.363(8) .
C13 H13 0.9500 .
C14 C15 1.386(8) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.393(7) .
C16 C21 1.394(7) .
C17 C18 1.391(7) .
C17 H17 0.9500 .
C18 C19 1.351(11) .
C18 H18 0.9500 .
C19 C20 1.382(13) .
C19 H19 0.9500 .
C20 C21 1.391(9) .
C20 H20 0.9500 .
C21 H21 0.9500 .
P3 C28 1.832(4) .
P3 C34 1.833(4) .
P3 C27 1.840(4) .
C22 C27 1.402(5) .
C22 C23 1.403(5) .
C23 C24 1.386(6) .
C23 H23 0.9500 .
C24 C25 1.383(6) .
C24 H24 0.9500 .
C25 C26 1.383(6) .
C25 H25 0.9500 .
C26 C27 1.398(5) .
C26 H26 0.9500 .
C28 C29 1.390(6) .
C28 C33 1.397(6) .
C29 C30 1.388(6) .
C29 H29 0.9500 .
C30 C31 1.380(8) .
C30 H30 0.9500 .
C31 C32 1.367(7) .
C31 H31 0.9500 .
C32 C33 1.394(5) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C35 1.389(6) .
C34 C39 1.392(6) .
C35 C36 1.401(7) .
C35 H35 0.9500 .
C36 C37 1.375(8) .
C36 H36 0.9500 .
C37 C38 1.381(8) .
C37 H37 0.9500 .
C38 C39 1.387(6) .
C38 H38 0.9500 .
C39 H39 0.9500 .
P4 C46 1.823(4) .
P4 C45 1.837(4) .
P4 C52 1.843(4) .
C40 C45 1.397(5) .
C40 C41 1.403(5) .
C41 C42 1.385(6) .
C41 H41 0.9500 .
C42 C43 1.395(7) .
C42 H42 0.9500 .
C43 C44 1.379(6) .
C43 H43 0.9500 .
C44 C45 1.398(6) .
C44 H44 0.9500 .
C46 C47 1.387(6) .
C46 C51 1.392(6) .
C47 C48 1.388(7) .
C47 H47 0.9500 .
C48 C49 1.372(8) .
C48 H48 0.9500 .
C49 C50 1.378(8) .
C49 H49 0.9500 .
C50 C51 1.389(6) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 C57 1.388(6) .
C52 C53 1.391(6) .
C53 C54 1.382(6) .
C53 H53 0.9500 .
C54 C55 1.371(7) .
C54 H54 0.9500 .
C55 C56 1.363(8) .
C55 H55 0.9500 .
C56 C57 1.389(7) .
C56 H56 0.9500 .
C57 H57 0.9500 .
B1 F3 1.305(8) .
B1 F4 1.339(8) .
B1 F1 1.349(8) .
B1 F2 1.366(7) .
C58 Cl1 1.690(10) .
C58 Cl2 1.754(10) .
C58 H58 0.9900 .
C58 H58A 0.9900 .
C59 Cl4 1.653(11) .
C59 Cl3 1.705(12) .
C59 Cl5 1.854(13) .
C60 Cl7 1.56(5) .
C60 Cl6 1.85(5) .
C60 H60 0.9900 .
C60 H60A 0.9900 .
Cl7 Cl7 1.41(3) 3_666
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_4
P4 Ir1 P1 O2 -81.24(14) .
P2 Ir1 P1 O2 125.30(14) .
Si1 Ir1 P1 O2 75.4(14) .
P3 Ir1 P1 O2 21.63(14) .
P4 Ir1 P1 O1 158.17(13) .
P2 Ir1 P1 O1 4.71(14) .
Si1 Ir1 P1 O1 -45.2(14) .
P3 Ir1 P1 O1 -98.97(13) .
P4 Ir1 P1 O3 33.95(15) .
P2 Ir1 P1 O3 -119.51(15) .
Si1 Ir1 P1 O3 -169.4(13) .
P3 Ir1 P1 O3 136.82(15) .
O2 P1 O1 C1 64.7(5) .
O3 P1 O1 C1 -38.9(5) .
Ir1 P1 O1 C1 -172.1(5) .
O1 P1 O2 C2 -59.9(5) .
O3 P1 O2 C2 48.6(5) .
Ir1 P1 O2 C2 177.6(5) .
O2 P1 O3 C3 -171.0(4) .
O1 P1 O3 C3 -60.1(4) .
Ir1 P1 O3 C3 66.8(4) .
P1 Ir1 Si1 C4 73.4(14) .
P4 Ir1 Si1 C4 -129.93(13) .
P2 Ir1 Si1 C4 23.28(12) .
P3 Ir1 Si1 C4 127.28(13) .
P1 Ir1 Si1 C40 -161.9(13) .
P4 Ir1 Si1 C40 -5.15(13) .
P2 Ir1 Si1 C40 148.06(13) .
P3 Ir1 Si1 C40 -107.94(13) .
P1 Ir1 Si1 C22 -38.9(14) .
P4 Ir1 Si1 C22 117.86(13) .
P2 Ir1 Si1 C22 -88.93(13) .
P3 Ir1 Si1 C22 15.07(13) .
P1 Ir1 P2 C16 -83.6(2) .
P4 Ir1 P2 C16 155.56(19) .
Si1 Ir1 P2 C16 95.2(2) .
P3 Ir1 P2 C16 15.2(2) .
P1 Ir1 P2 C10 45.20(15) .
P4 Ir1 P2 C10 -75.62(16) .
Si1 Ir1 P2 C10 -135.98(15) .
P3 Ir1 P2 C10 144.03(14) .
P1 Ir1 P2 C9 158.96(13) .
P4 Ir1 P2 C9 38.14(15) .
Si1 Ir1 P2 C9 -22.22(13) .
P3 Ir1 P2 C9 -102.21(13) .
C40 Si1 C4 C9 -144.2(3) .
C22 Si1 C4 C9 94.7(3) .
Ir1 Si1 C4 C9 -21.0(3) .
C40 Si1 C4 C5 41.2(4) .
C22 Si1 C4 C5 -79.9(4) .
Ir1 Si1 C4 C5 164.4(3) .
C9 C4 C5 C6 0.0(6) .
Si1 C4 C5 C6 174.5(3) .
C4 C5 C6 C7 0.9(6) .
C5 C6 C7 C8 -1.5(7) .
C6 C7 C8 C9 1.2(7) .
C7 C8 C9 C4 -0.3(6) .
C7 C8 C9 P2 -178.1(3) .
C5 C4 C9 C8 -0.3(6) .
Si1 C4 C9 C8 -175.4(3) .
C5 C4 C9 P2 177.6(3) .
Si1 C4 C9 P2 2.5(4) .
C16 P2 C9 C8 66.4(4) .
C10 P2 C9 C8 -41.1(4) .
Ir1 P2 C9 C8 -164.9(3) .
C16 P2 C9 C4 -111.5(3) .
C10 P2 C9 C4 141.0(3) .
Ir1 P2 C9 C4 17.3(3) .
C16 P2 C10 C11 161.1(3) .
C9 P2 C10 C11 -93.4(3) .
Ir1 P2 C10 C11 24.9(4) .
C16 P2 C10 C15 -26.3(4) .
C9 P2 C10 C15 79.2(4) .
Ir1 P2 C10 C15 -162.5(3) .
C15 C10 C11 C12 1.9(6) .
P2 C10 C11 C12 174.9(3) .
C10 C11 C12 C13 -0.7(7) .
C11 C12 C13 C14 -0.7(7) .
C12 C13 C14 C15 0.9(9) .
C13 C14 C15 C10 0.4(9) .
C11 C10 C15 C14 -1.8(7) .
P2 C10 C15 C14 -174.6(4) .
C10 P2 C16 C17 143.9(4) .
C9 P2 C16 C17 39.1(4) .
Ir1 P2 C16 C17 -82.0(4) .
C10 P2 C16 C21 -39.9(5) .
C9 P2 C16 C21 -144.7(4) .
Ir1 P2 C16 C21 94.2(4) .
C21 C16 C17 C18 -0.8(8) .
P2 C16 C17 C18 175.6(4) .
C16 C17 C18 C19 0.8(9) .
C17 C18 C19 C20 0.3(11) .
C18 C19 C20 C21 -1.5(12) .
C19 C20 C21 C16 1.5(11) .
C17 C16 C21 C20 -0.4(8) .
P2 C16 C21 C20 -176.6(5) .
P1 Ir1 P3 C28 34.71(16) .
P4 Ir1 P3 C28 134.84(15) .
P2 Ir1 P3 C28 -64.74(16) .
Si1 Ir1 P3 C28 -144.05(16) .
P1 Ir1 P3 C34 -87.93(15) .
P4 Ir1 P3 C34 12.20(15) .
P2 Ir1 P3 C34 172.61(15) .
Si1 Ir1 P3 C34 93.31(15) .
P1 Ir1 P3 C27 157.94(13) .
P4 Ir1 P3 C27 -101.92(13) .
P2 Ir1 P3 C27 58.49(13) .
Si1 Ir1 P3 C27 -20.81(13) .
C4 Si1 C22 C27 -120.9(3) .
C40 Si1 C22 C27 117.0(3) .
Ir1 Si1 C22 C27 -5.4(3) .
C4 Si1 C22 C23 51.3(4) .
C40 Si1 C22 C23 -70.8(4) .
Ir1 Si1 C22 C23 166.8(3) .
C27 C22 C23 C24 0.6(6) .
Si1 C22 C23 C24 -171.6(3) .
C22 C23 C24 C25 1.4(7) .
C23 C24 C25 C26 -2.0(7) .
C24 C25 C26 C27 0.5(7) .
C25 C26 C27 C22 1.5(6) .
C25 C26 C27 P3 -175.0(4) .
C23 C22 C27 C26 -2.1(6) .
Si1 C22 C27 C26 170.5(3) .
C23 C22 C27 P3 174.7(3) .
Si1 C22 C27 P3 -12.7(4) .
C28 P3 C27 C26 -25.9(4) .
C34 P3 C27 C26 76.5(4) .
Ir1 P3 C27 C26 -158.5(3) .
C28 P3 C27 C22 157.4(3) .
C34 P3 C27 C22 -100.2(3) .
Ir1 P3 C27 C22 24.9(3) .
C34 P3 C28 C29 145.8(4) .
C27 P3 C28 C29 -110.5(4) .
Ir1 P3 C28 C29 14.5(4) .
C34 P3 C28 C33 -33.5(4) .
C27 P3 C28 C33 70.2(4) .
Ir1 P3 C28 C33 -164.8(3) .
C33 C28 C29 C30 -1.0(7) .
P3 C28 C29 C30 179.7(4) .
C28 C29 C30 C31 0.4(8) .
C29 C30 C31 C32 0.3(9) .
C30 C31 C32 C33 -0.5(8) .
C31 C32 C33 C28 0.0(7) .
C29 C28 C33 C32 0.8(6) .
P3 C28 C33 C32 -179.9(3) .
C28 P3 C34 C35 121.3(3) .
C27 P3 C34 C35 13.7(4) .
Ir1 P3 C34 C35 -105.0(3) .
C28 P3 C34 C39 -53.9(3) .
C27 P3 C34 C39 -161.6(3) .
Ir1 P3 C34 C39 79.7(3) .
C39 C34 C35 C36 1.7(6) .
P3 C34 C35 C36 -173.6(4) .
C34 C35 C36 C37 -0.3(7) .
C35 C36 C37 C38 -1.2(8) .
C36 C37 C38 C39 1.2(7) .
C37 C38 C39 C34 0.3(6) .
C35 C34 C39 C38 -1.7(6) .
P3 C34 C39 C38 173.7(3) .
P1 Ir1 P4 C46 57.15(17) .
P2 Ir1 P4 C46 177.78(16) .
Si1 Ir1 P4 C46 -122.24(17) .
P3 Ir1 P4 C46 -41.71(17) .
P1 Ir1 P4 C45 -176.02(13) .
P2 Ir1 P4 C45 -55.40(15) .
Si1 Ir1 P4 C45 4.59(13) .
P3 Ir1 P4 C45 85.11(13) .
P1 Ir1 P4 C52 -65.63(14) .
P2 Ir1 P4 C52 54.99(16) .
Si1 Ir1 P4 C52 114.98(14) .
P3 Ir1 P4 C52 -164.50(14) .
C4 Si1 C40 C45 127.4(3) .
C22 Si1 C40 C45 -116.2(3) .
Ir1 Si1 C40 C45 5.2(3) .
C4 Si1 C40 C41 -50.3(4) .
C22 Si1 C40 C41 66.1(4) .
Ir1 Si1 C40 C41 -172.5(3) .
C45 C40 C41 C42 -0.8(6) .
Si1 C40 C41 C42 176.9(3) .
C40 C41 C42 C43 -0.4(6) .
C41 C42 C43 C44 0.4(7) .
C42 C43 C44 C45 0.9(6) .
C41 C40 C45 C44 2.0(6) .
Si1 C40 C45 C44 -175.8(3) .
C41 C40 C45 P4 176.4(3) .
Si1 C40 C45 P4 -1.4(4) .
C43 C44 C45 C40 -2.1(6) .
C43 C44 C45 P4 -176.4(3) .
C46 P4 C45 C40 131.9(3) .
C52 P4 C45 C40 -122.8(3) .
Ir1 P4 C45 C40 -3.0(3) .
C46 P4 C45 C44 -53.7(4) .
C52 P4 C45 C44 51.6(4) .
Ir1 P4 C45 C44 171.4(3) .
C45 P4 C46 C47 -7.3(4) .
C52 P4 C46 C47 -110.0(4) .
Ir1 P4 C46 C47 121.9(3) .
C45 P4 C46 C51 170.1(3) .
C52 P4 C46 C51 67.4(4) .
Ir1 P4 C46 C51 -60.7(4) .
C51 C46 C47 C48 -2.2(6) .
P4 C46 C47 C48 175.2(4) .
C46 C47 C48 C49 -0.6(8) .
C47 C48 C49 C50 2.7(8) .
C48 C49 C50 C51 -1.9(8) .
C49 C50 C51 C46 -1.0(7) .
C47 C46 C51 C50 3.0(6) .
P4 C46 C51 C50 -174.5(4) .
C46 P4 C52 C57 -5.1(5) .
C45 P4 C52 C57 -113.8(4) .
Ir1 P4 C52 C57 128.1(4) .
C46 P4 C52 C53 170.4(3) .
C45 P4 C52 C53 61.7(4) .
Ir1 P4 C52 C53 -56.4(4) .
C57 C52 C53 C54 -1.3(7) .
P4 C52 C53 C54 -177.1(3) .
C52 C53 C54 C55 -0.1(7) .
C53 C54 C55 C56 0.4(9) .
C54 C55 C56 C57 0.9(10) .
C53 C52 C57 C56 2.6(8) .
P4 C52 C57 C56 178.2(5) .
C55 C56 C57 C52 -2.5(11) .
Cl6 C60 Cl7 Cl7 -93(5) 3_666
