#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:30:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179899 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/95/7019523.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_7019523
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         'C55 H45 Ir O P3, B F4, 2(C H2 Cl2)'
_chemical_formula_sum            'C57 H49 B Cl4 F4 Ir O P3'
_chemical_formula_weight         1263.68
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.837(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.3525(6)
_cell_length_b                   23.4548(9)
_cell_length_c                   39.060(2)
_cell_measurement_reflns_used    26930
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0191
_cell_volume                     11114.9(9)
_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: 1800
Slice: -80.0000 - 100.0000
Image width: 0.1000
Exp time: 7.0000
Rotation axis: Phi
Omega: 0.0000
Chi: 0.0000
Phi: 0.0000
XTD: 55.2404
2theta: 24.8829
scan:
Number of images: 600
Slice: -15.0000 - 45.0000
Image width: 0.1000
Exp time: 7.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 0.0000
XTD: 55.2404
2theta: 24.8829
scan:
Number of images: 600
Slice: -15.0000 - 45.0000
Image width: 0.1000
Exp time: 7.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 90.0000
XTD: 55.2404
2theta: 24.8829
scan:
Number of images: 600
Slice: -15.0000 - 45.0000
Image width: 0.1000
Exp time: 7.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 180.0000
XTD: 55.2404
2theta: 24.8829
scan:
Number of images: 600
Slice: -15.0000 - 45.0000
Image width: 0.1000
Exp time: 7.0000
Rotation axis: Omega
Omega: 0.0000
Chi: 90.0000
Phi: 270.0000
XTD: 55.2404
2theta: 24.8829

;
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            81351
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.02
_diffrn_source_current           250.0000
_diffrn_source_power             15.0000
_diffrn_source_voltage           60.0000
_exptl_absorpt_coefficient_mu    2.733
_exptl_absorpt_correction_T_max  0.6109
_exptl_absorpt_correction_T_min  0.4480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5040
_exptl_crystal_preparation
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.975
_refine_diff_density_min         -1.898
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1265
_refine_ls_number_reflns         24591
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0683
_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)+(0.0564P)²+127.7649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1712
_refine_ls_wR_factor_ref         0.1766
_reflns_number_gt                21538
_reflns_number_total             24591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30546a.txt
_cod_data_source_block           8
_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        11114.8(9)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7019523
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.06189(2) 0.254122(10) 0.427679(6) 0.01864(8) Uani 1 1 d . . .
C1 C 0.1112(6) 0.1781(3) 0.44157(19) 0.0272(15) Uani 1 1 d . . .
O1 O 0.1431(6) 0.1349(3) 0.45116(18) 0.0461(15) Uani 1 1 d . . .
P1 P -0.12645(14) 0.24704(7) 0.42895(5) 0.0210(3) Uani 1 1 d . . .
C2 C -0.1709(6) 0.3018(3) 0.45690(18) 0.0241(14) Uani 1 1 d . . .
C3 C -0.1061(6) 0.3491(3) 0.4692(2) 0.0299(15) Uani 1 1 d . . .
H3 H -0.0353 0.3536 0.4634 0.036 Uiso 1 1 calc R . .
C4 C -0.1452(7) 0.3895(4) 0.4901(2) 0.0378(18) Uani 1 1 d . . .
H4 H -0.1005 0.4213 0.4985 0.045 Uiso 1 1 calc R . .
C5 C -0.2482(7) 0.3836(4) 0.4986(2) 0.0343(17) Uani 1 1 d . . .
H5 H -0.2745 0.4115 0.5127 0.041 Uiso 1 1 calc R . .
C6 C -0.3119(7) 0.3375(4) 0.4868(2) 0.0375(19) Uani 1 1 d . . .
H6 H -0.3828 0.3336 0.4926 0.045 Uiso 1 1 calc R . .
C7 C -0.2742(6) 0.2961(3) 0.4662(2) 0.0306(16) Uani 1 1 d . . .
H7 H -0.3190 0.2640 0.4584 0.037 Uiso 1 1 calc R . .
C8 C -0.2264(6) 0.2560(3) 0.38829(19) 0.0280(15) Uani 1 1 d . . .
C9 C -0.2715(7) 0.3105(4) 0.3799(2) 0.0358(18) Uani 1 1 d . . .
H9 H -0.2574 0.3405 0.3965 0.043 Uiso 1 1 calc R . .
C10 C -0.3369(8) 0.3203(5) 0.3473(3) 0.049(2) Uani 1 1 d . . .
H10 H -0.3675 0.3571 0.3419 0.058 Uiso 1 1 calc R . .
C11 C -0.3577(7) 0.2780(6) 0.3231(2) 0.054(3) Uani 1 1 d . . .
H11 H -0.4017 0.2854 0.3009 0.065 Uiso 1 1 calc R . .
C12 C -0.3131(7) 0.2231(5) 0.3314(2) 0.047(2) Uani 1 1 d . . .
H12 H -0.3278 0.1930 0.3149 0.056 Uiso 1 1 calc R . .
C13 C -0.2484(6) 0.2140(4) 0.3634(2) 0.0362(18) Uani 1 1 d . . .
H13 H -0.2174 0.1772 0.3686 0.043 Uiso 1 1 calc R . .
C14 C -0.1629(6) 0.1812(3) 0.4494(2) 0.0273(15) Uani 1 1 d . . .
C15 C -0.2597(7) 0.1510(3) 0.4375(2) 0.0356(18) Uani 1 1 d . . .
H15 H -0.3094 0.1627 0.4172 0.043 Uiso 1 1 calc R . .
C16 C -0.2824(8) 0.1021(4) 0.4566(3) 0.045(2) Uani 1 1 d . . .
H16 H -0.3473 0.0806 0.4485 0.054 Uiso 1 1 calc R . .
C17 C -0.2128(8) 0.0859(3) 0.4860(3) 0.044(2) Uani 1 1 d . . .
H17 H -0.2299 0.0535 0.4985 0.053 Uiso 1 1 calc R . .
C18 C -0.1169(9) 0.1163(4) 0.4980(3) 0.048(2) Uani 1 1 d . . .
H18 H -0.0685 0.1048 0.5187 0.057 Uiso 1 1 calc R . .
C19 C -0.0916(7) 0.1640(4) 0.4794(2) 0.0369(18) Uani 1 1 d . . .
H19 H -0.0255 0.1847 0.4874 0.044 Uiso 1 1 calc R . .
P2 P 0.07284(14) 0.23594(7) 0.36738(4) 0.0203(3) Uani 1 1 d . . .
C20 C 0.0374(5) 0.2951(3) 0.33711(18) 0.0226(13) Uani 1 1 d . . .
C21 C -0.0404(6) 0.3358(3) 0.34414(19) 0.0274(15) Uani 1 1 d . . .
H21 H -0.0768 0.3311 0.3633 0.033 Uiso 1 1 calc R . .
C22 C -0.0620(7) 0.3828(3) 0.3220(2) 0.0376(19) Uani 1 1 d . . .
H22 H -0.1140 0.4104 0.3265 0.045 Uiso 1 1 calc R . .
C23 C -0.0125(8) 0.3909(4) 0.2945(2) 0.0391(19) Uani 1 1 d . . .
H23 H -0.0282 0.4241 0.2805 0.047 Uiso 1 1 calc R . .
C24 C 0.0617(7) 0.3506(4) 0.2867(2) 0.0380(18) Uani 1 1 d . . .
H24 H 0.0964 0.3557 0.2672 0.046 Uiso 1 1 calc R . .
C25 C 0.0846(6) 0.3026(3) 0.3078(2) 0.0310(16) Uani 1 1 d . . .
H25 H 0.1334 0.2745 0.3020 0.037 Uiso 1 1 calc R . .
C26 C 0.2106(5) 0.2139(3) 0.36132(18) 0.0239(14) Uani 1 1 d . . .
C27 C 0.2935(6) 0.2545(3) 0.3595(2) 0.0291(15) Uani 1 1 d . . .
H27 H 0.2763 0.2940 0.3591 0.035 Uiso 1 1 calc R . .
C28 C 0.4005(7) 0.2371(4) 0.3584(2) 0.0363(18) Uani 1 1 d . . .
H28 H 0.4561 0.2648 0.3576 0.044 Uiso 1 1 calc R . .
C29 C 0.4264(7) 0.1795(4) 0.3583(3) 0.044(2) Uani 1 1 d . . .
H29 H 0.4993 0.1675 0.3574 0.052 Uiso 1 1 calc R . .
C30 C 0.3441(8) 0.1399(4) 0.3597(3) 0.046(2) Uani 1 1 d . . .
H30 H 0.3611 0.1004 0.3598 0.055 Uiso 1 1 calc R . .
C31 C 0.2386(7) 0.1566(3) 0.3609(2) 0.0347(17) Uani 1 1 d . . .
H31 H 0.1835 0.1285 0.3614 0.042 Uiso 1 1 calc R . .
C32 C -0.0068(6) 0.1753(3) 0.34749(19) 0.0247(14) Uani 1 1 d . . .
C33 C -0.0361(7) 0.1714(4) 0.3106(2) 0.0347(17) Uani 1 1 d . . .
H33 H -0.0203 0.2022 0.2965 0.042 Uiso 1 1 calc R . .
C34 C -0.0875(9) 0.1232(4) 0.2953(2) 0.046(2) Uani 1 1 d . . .
H34 H -0.1070 0.1209 0.2706 0.055 Uiso 1 1 calc R . .
C35 C -0.1113(8) 0.0776(4) 0.3156(3) 0.047(2) Uani 1 1 d . . .
H35 H -0.1471 0.0446 0.3048 0.057 Uiso 1 1 calc R . .
C36 C -0.0826(7) 0.0809(4) 0.3511(3) 0.041(2) Uani 1 1 d . . .
H36 H -0.0978 0.0498 0.3650 0.049 Uiso 1 1 calc R . .
C37 C -0.0306(6) 0.1299(3) 0.3671(2) 0.0305(16) Uani 1 1 d . . .
H37 H -0.0116 0.1317 0.3918 0.037 Uiso 1 1 calc R . .
P3 P 0.22759(14) 0.30161(7) 0.44943(5) 0.0205(3) Uani 1 1 d . . .
C38 C 0.2826(6) 0.3488(3) 0.41992(18) 0.0238(14) Uani 1 1 d . . .
C39 C 0.2099(6) 0.3808(3) 0.3960(2) 0.0279(15) Uani 1 1 d . . .
H39 H 0.1331 0.3788 0.3959 0.034 Uiso 1 1 calc R . .
C40 C 0.2488(7) 0.4161(3) 0.3720(2) 0.0336(17) Uani 1 1 d . . .
H40 H 0.1990 0.4376 0.3554 0.040 Uiso 1 1 calc R . .
C41 C 0.3619(8) 0.4188(4) 0.3729(2) 0.0390(19) Uani 1 1 d . . .
H41 H 0.3895 0.4422 0.3566 0.047 Uiso 1 1 calc R . .
C42 C 0.4339(7) 0.3882(4) 0.3970(3) 0.041(2) Uani 1 1 d . . .
H42 H 0.5110 0.3911 0.3977 0.049 Uiso 1 1 calc R . .
C43 C 0.3941(7) 0.3530(4) 0.4201(2) 0.0327(16) Uani 1 1 d . . .
H43 H 0.4444 0.3314 0.4365 0.039 Uiso 1 1 calc R . .
C44 C 0.2099(6) 0.3480(3) 0.48552(18) 0.0253(14) Uani 1 1 d . . .
C45 C 0.2329(8) 0.4057(4) 0.4850(2) 0.0385(19) Uani 1 1 d . . .
H45 H 0.2614 0.4218 0.4662 0.046 Uiso 1 1 calc R . .
C46 C 0.2135(11) 0.4402(4) 0.5127(3) 0.060(3) Uani 1 1 d . . .
H46 H 0.2292 0.4798 0.5125 0.071 Uiso 1 1 calc R . .
C47 C 0.1725(9) 0.4176(4) 0.5396(3) 0.048(2) Uani 1 1 d . . .
H47 H 0.1580 0.4418 0.5578 0.058 Uiso 1 1 calc R . .
C48 C 0.1520(7) 0.3602(4) 0.5408(2) 0.0392(19) Uani 1 1 d . . .
H48 H 0.1260 0.3444 0.5601 0.047 Uiso 1 1 calc R . .
C49 C 0.1691(7) 0.3260(4) 0.5141(2) 0.0337(17) Uani 1 1 d . . .
H49 H 0.1532 0.2864 0.5148 0.040 Uiso 1 1 calc R . .
C50 C 0.3440(6) 0.2564(3) 0.46817(19) 0.0247(14) Uani 1 1 d . . .
C51 C 0.4110(7) 0.2687(4) 0.5002(2) 0.0340(17) Uani 1 1 d . . .
H51 H 0.3961 0.3010 0.5132 0.041 Uiso 1 1 calc R . .
C52 C 0.5029(8) 0.2321(4) 0.5133(2) 0.0394(19) Uani 1 1 d . . .
H52 H 0.5493 0.2402 0.5351 0.047 Uiso 1 1 calc R . .
C53 C 0.5233(8) 0.1852(4) 0.4942(3) 0.044(2) Uani 1 1 d . . .
H53 H 0.5822 0.1601 0.5031 0.052 Uiso 1 1 calc R . .
C54 C 0.4576(7) 0.1748(4) 0.4620(2) 0.0372(18) Uani 1 1 d . . .
H54 H 0.4740 0.1435 0.4484 0.045 Uiso 1 1 calc R . .
C55 C 0.3690(6) 0.2093(3) 0.4494(2) 0.0307(16) Uani 1 1 d . . .
H55 H 0.3240 0.2008 0.4275 0.037 Uiso 1 1 calc R . .
Ir2 Ir 0.36181(2) 0.245747(10) 0.644490(6) 0.01906(8) Uani 1 1 d . . .
C56 C 0.3132(6) 0.3218(3) 0.63042(19) 0.0255(14) Uani 1 1 d . . .
O2 O 0.2826(5) 0.3657(2) 0.62138(17) 0.0412(14) Uani 1 1 d . . .
P4 P 0.19501(14) 0.19910(7) 0.62271(5) 0.0203(3) Uani 1 1 d . . .
C57 C 0.2103(6) 0.1502(3) 0.5873(2) 0.0262(14) Uani 1 1 d . . .
C58 C 0.1772(8) 0.0935(4) 0.5874(2) 0.043(2) Uani 1 1 d . . .
H58 H 0.1446 0.0798 0.6060 0.052 Uiso 1 1 calc R . .
C59 C 0.1910(11) 0.0569(4) 0.5608(3) 0.061(3) Uani 1 1 d . . .
H59 H 0.1683 0.0182 0.5611 0.073 Uiso 1 1 calc R . .
C60 C 0.2383(11) 0.0769(5) 0.5334(3) 0.058(3) Uani 1 1 d . . .
H60 H 0.2501 0.0517 0.5154 0.070 Uiso 1 1 calc R . .
C61 C 0.2679(8) 0.1333(4) 0.5325(2) 0.045(2) Uani 1 1 d . . .
H61 H 0.2977 0.1474 0.5135 0.054 Uiso 1 1 calc R . .
C62 C 0.2544(7) 0.1692(4) 0.5592(2) 0.0351(18) Uani 1 1 d . . .
H62 H 0.2758 0.2080 0.5584 0.042 Uiso 1 1 calc R . .
C63 C 0.1387(6) 0.1533(3) 0.65312(18) 0.0243(14) Uani 1 1 d . . .
C64 C 0.2093(6) 0.1203(3) 0.6767(2) 0.0276(15) Uani 1 1 d . . .
H64 H 0.2865 0.1223 0.6773 0.033 Uiso 1 1 calc R . .
C65 C 0.1691(8) 0.0847(3) 0.6992(2) 0.0362(18) Uani 1 1 d . . .
H65 H 0.2183 0.0621 0.7154 0.043 Uiso 1 1 calc R . .
C66 C 0.0557(8) 0.0816(4) 0.6983(2) 0.041(2) Uani 1 1 d . . .
H66 H 0.0280 0.0574 0.7142 0.049 Uiso 1 1 calc R . .
C67 C -0.0157(8) 0.1132(4) 0.6747(3) 0.042(2) Uani 1 1 d . . .
H67 H -0.0927 0.1108 0.6743 0.050 Uiso 1 1 calc R . .
C68 C 0.0241(6) 0.1492(3) 0.6511(2) 0.0314(16) Uani 1 1 d . . .
H68 H -0.0253 0.1702 0.6342 0.038 Uiso 1 1 calc R . .
C69 C 0.0781(6) 0.2432(3) 0.60294(18) 0.0224(13) Uani 1 1 d . . .
C70 C 0.0188(6) 0.2341(3) 0.5697(2) 0.0292(15) Uani 1 1 d . . .
H70 H 0.0399 0.2045 0.5557 0.035 Uiso 1 1 calc R . .
C71 C -0.0721(6) 0.2682(4) 0.5568(2) 0.0383(13) Uani 1 1 d . . .
H71 H -0.1124 0.2621 0.5339 0.046 Uiso 1 1 calc R . .
C72 C -0.1034(6) 0.3104(4) 0.5770(2) 0.0368(18) Uani 1 1 d . . .
H72 H -0.1663 0.3329 0.5680 0.044 Uiso 1 1 calc R . .
C73 C -0.0452(6) 0.3209(4) 0.6099(2) 0.0383(13) Uani 1 1 d . . .
H73 H -0.0674 0.3506 0.6236 0.046 Uiso 1 1 calc R . .
C74 C 0.0464(6) 0.2876(3) 0.6232(2) 0.0298(15) Uani 1 1 d . . .
H74 H 0.0874 0.2948 0.6459 0.036 Uiso 1 1 calc R . .
P5 P 0.34901(14) 0.26486(7) 0.70450(5) 0.0208(3) Uani 1 1 d . . .
C75 C 0.3845(6) 0.2061(3) 0.73558(18) 0.0240(13) Uani 1 1 d . . .
C76 C 0.4592(6) 0.1648(3) 0.72867(19) 0.0289(15) Uani 1 1 d . . .
H76 H 0.4918 0.1684 0.7086 0.035 Uiso 1 1 calc R . .
C77 C 0.4862(7) 0.1188(4) 0.7508(2) 0.0362(18) Uani 1 1 d . . .
H77 H 0.5386 0.0915 0.7463 0.043 Uiso 1 1 calc R . .
C78 C 0.4360(7) 0.1125(4) 0.7800(2) 0.0361(18) Uani 1 1 d . . .
H78 H 0.4519 0.0802 0.7947 0.043 Uiso 1 1 calc R . .
C79 C 0.3639(7) 0.1531(4) 0.7869(2) 0.0352(17) Uani 1 1 d . . .
H79 H 0.3308 0.1492 0.8069 0.042 Uiso 1 1 calc R . .
C80 C 0.3381(6) 0.2006(3) 0.76505(19) 0.0287(15) Uani 1 1 d . . .
H80 H 0.2889 0.2289 0.7704 0.034 Uiso 1 1 calc R . .
C81 C 0.4292(6) 0.3262(3) 0.7250(2) 0.0278(15) Uani 1 1 d . . .
C82 C 0.4478(8) 0.3335(4) 0.7606(2) 0.042(2) Uani 1 1 d . . .
H82 H 0.4229 0.3054 0.7748 0.050 Uiso 1 1 calc R . .
C83 C 0.5023(10) 0.3812(5) 0.7761(3) 0.060(3) Uani 1 1 d . . .
H83 H 0.5115 0.3869 0.8006 0.073 Uiso 1 1 calc R . .
C84 C 0.5434(9) 0.4210(4) 0.7552(3) 0.056(3) Uani 1 1 d . . .
H84 H 0.5834 0.4531 0.7657 0.067 Uiso 1 1 calc R . .
C85 C 0.5269(7) 0.4143(3) 0.7200(3) 0.040(2) Uani 1 1 d . . .
H85 H 0.5549 0.4416 0.7059 0.048 Uiso 1 1 calc R . .
C86 C 0.4688(6) 0.3671(3) 0.7047(2) 0.0295(15) Uani 1 1 d . . .
H86 H 0.4560 0.3628 0.6801 0.035 Uiso 1 1 calc R . .
C87 C 0.2100(6) 0.2871(3) 0.70970(18) 0.0259(14) Uani 1 1 d . . .
C88 C 0.1807(6) 0.3438(3) 0.7053(2) 0.0307(16) Uani 1 1 d . . .
H88 H 0.2341 0.3714 0.7019 0.037 Uiso 1 1 calc R . .
C89 C 0.0714(7) 0.3609(4) 0.7058(2) 0.0365(18) Uani 1 1 d . . .
H89 H 0.0513 0.3999 0.7026 0.044 Uiso 1 1 calc R . .
C90 C -0.0052(7) 0.3216(4) 0.7108(2) 0.040(2) Uani 1 1 d . . .
H90 H -0.0785 0.3332 0.7114 0.048 Uiso 1 1 calc R . .
C91 C 0.0234(7) 0.2649(4) 0.7151(2) 0.0377(18) Uani 1 1 d . . .
H91 H -0.0304 0.2377 0.7187 0.045 Uiso 1 1 calc R . .
C92 C 0.1292(6) 0.2472(3) 0.7143(2) 0.0294(15) Uani 1 1 d . . .
H92 H 0.1476 0.2079 0.7168 0.035 Uiso 1 1 calc R . .
P6 P 0.55147(14) 0.25357(7) 0.64458(5) 0.0205(3) Uani 1 1 d . . .
C93 C 0.6474(5) 0.2386(3) 0.68468(19) 0.0261(14) Uani 1 1 d . . .
C94 C 0.6887(6) 0.1831(3) 0.6908(2) 0.0332(17) Uani 1 1 d . . .
H94 H 0.6720 0.1550 0.6731 0.040 Uiso 1 1 calc R . .
C95 C 0.7545(7) 0.1690(4) 0.7230(2) 0.040(2) Uani 1 1 d . . .
H95 H 0.7832 0.1315 0.7267 0.048 Uiso 1 1 calc R . .
C96 C 0.7776(7) 0.2080(5) 0.7487(2) 0.043(2) Uani 1 1 d . . .
H96 H 0.8199 0.1974 0.7707 0.051 Uiso 1 1 calc R . .
C97 C 0.7392(7) 0.2641(5) 0.7431(2) 0.043(2) Uani 1 1 d . . .
H97 H 0.7580 0.2919 0.7610 0.052 Uiso 1 1 calc R . .
C98 C 0.6746(6) 0.2789(4) 0.7119(2) 0.0313(16) Uani 1 1 d . . .
H98 H 0.6477 0.3168 0.7084 0.038 Uiso 1 1 calc R . .
C99 C 0.5975(6) 0.2025(3) 0.61468(19) 0.0243(14) Uani 1 1 d . . .
C100 C 0.5329(6) 0.1564(3) 0.6000(2) 0.0282(15) Uani 1 1 d . . .
H100 H 0.4613 0.1509 0.6051 0.034 Uiso 1 1 calc R . .
C101 C 0.5732(7) 0.1189(4) 0.5780(2) 0.0355(17) Uani 1 1 d . . .
H101 H 0.5295 0.0874 0.5684 0.043 Uiso 1 1 calc R . .
C102 C 0.6758(7) 0.1269(4) 0.5699(2) 0.0380(18) Uani 1 1 d . . .
H102 H 0.7017 0.1017 0.5542 0.046 Uiso 1 1 calc R . .
C103 C 0.7409(7) 0.1717(4) 0.5846(2) 0.040(2) Uani 1 1 d . . .
H103 H 0.8128 0.1763 0.5796 0.049 Uiso 1 1 calc R . .
C104 C 0.7017(6) 0.2102(4) 0.6067(2) 0.0344(17) Uani 1 1 d . . .
H104 H 0.7460 0.2416 0.6162 0.041 Uiso 1 1 calc R . .
C105 C 0.5894(6) 0.3210(3) 0.62652(18) 0.0238(14) Uani 1 1 d . . .
C106 C 0.5278(7) 0.3361(4) 0.5935(2) 0.0353(18) Uani 1 1 d . . .
H106 H 0.4687 0.3125 0.5827 0.042 Uiso 1 1 calc R . .
C107 C 0.5527(8) 0.3849(4) 0.5768(2) 0.042(2) Uani 1 1 d . . .
H107 H 0.5116 0.3944 0.5544 0.051 Uiso 1 1 calc R . .
C108 C 0.6379(9) 0.4202(4) 0.5926(3) 0.047(2) Uani 1 1 d . . .
H108 H 0.6544 0.4542 0.5814 0.056 Uiso 1 1 calc R . .
C109 C 0.6988(8) 0.4053(4) 0.6251(3) 0.044(2) Uani 1 1 d . . .
H109 H 0.7568 0.4294 0.6361 0.053 Uiso 1 1 calc R . .
C110 C 0.6758(7) 0.3556(3) 0.6414(2) 0.0331(17) Uani 1 1 d . . .
H110 H 0.7200 0.3452 0.6632 0.040 Uiso 1 1 calc R . .
B1 B 0.1625(11) 0.5264(5) 0.2875(3) 0.048(3) Uani 1 1 d . . .
F1 F 0.2009(5) 0.5816(2) 0.28577(15) 0.0511(14) Uani 1 1 d . . .
F2 F 0.1153(6) 0.5208(3) 0.31675(17) 0.0712(19) Uani 1 1 d . . .
F3 F 0.0858(9) 0.5139(3) 0.25925(19) 0.110(4) Uani 1 1 d . . .
F4 F 0.2546(10) 0.4904(4) 0.2933(4) 0.152(6) Uani 1 1 d . . .
B2 B 0.490(3) 0.4869(16) 0.4857(14) 0.104(17) Uani 0.50 1 d P . .
F5 F 0.4068(9) 0.5073(4) 0.4800(3) 0.116(3) Uani 1 1 d . . .
F6 F 0.4830(18) 0.4256(8) 0.4971(6) 0.116(3) Uani 0.50 1 d P . .
F7 F 0.5525(19) 0.4920(8) 0.4669(6) 0.116(3) Uani 0.50 1 d P . .
B3 B 0.478(4) 0.492(2) 0.9811(12) 0.099 Uiso 0.50 1 d P . .
F8 F 0.4721(12) 0.5487(7) 0.9939(4) 0.162 Uiso 1 1 d . . .
F9 F 0.5069(17) 0.4881(9) 0.9519(6) 0.110 Uiso 0.50 1 d P . .
F10 F 0.377(3) 0.4912(13) 0.9826(8) 0.173 Uiso 0.50 1 d P . .
C111 C 0.4467(14) 0.4871(8) 0.1286(4) 0.097(5) Uani 1 1 d . . .
H111 H 0.4022 0.4593 0.1128 0.116 Uiso 1 1 calc R . .
H112 H 0.5081 0.4999 0.1174 0.116 Uiso 1 1 calc R . .
Cl1 Cl 0.4990(6) 0.4547(2) 0.16664(15) 0.143(2) Uani 1 1 d . . .
Cl2 Cl 0.3644(5) 0.5458(2) 0.13422(13) 0.1145(17) Uani 1 1 d . . .
C112 C 0.3775(13) 0.4939(5) 0.6002(5) 0.103(6) Uani 1 1 d . . .
H113 H 0.3483 0.4560 0.5919 0.123 Uiso 1 1 calc R . .
H114 H 0.4458 0.5008 0.5910 0.123 Uiso 1 1 calc R . .
Cl3 Cl 0.2799(3) 0.54655(12) 0.58415(11) 0.0878(12) Uani 1 1 d . . .
Cl4 Cl 0.4082(4) 0.4941(2) 0.64584(13) 0.122(2) Uani 1 1 d . . .
C113 C -0.0107(13) 0.4969(8) 0.6141(4) 0.098(5) Uani 1 1 d . . .
H115 H -0.0667 0.4896 0.6287 0.118 Uiso 1 1 calc R . .
H116 H 0.0089 0.5378 0.6169 0.118 Uiso 1 1 calc R . .
Cl5 Cl -0.0696(6) 0.4885(5) 0.57512(16) 0.215(5) Uani 1 1 d . . .
Cl6 Cl 0.1021(4) 0.4600(2) 0.63184(12) 0.0958(12) Uani 1 1 d . . .
C114 C 0.193(3) 0.4647(15) 0.7659(5) 0.094(9) Uiso 0.50 1 d PD . .
H117 H 0.1132 0.4599 0.7565 0.113 Uiso 0.50 1 calc PR . .
H118 H 0.2248 0.4259 0.7693 0.113 Uiso 0.50 1 calc PR . .
Cl7 Cl 0.2520(6) 0.4982(3) 0.7325(2) 0.0834(19) Uiso 0.50 1 d PD . .
Cl8 Cl 0.2042(9) 0.4952(5) 0.8076(3) 0.114(3) Uiso 0.50 1 d PD . .
C115 C 0.1753(17) 0.4933(15) 0.9060(5) 0.104(11) Uiso 0.50 1 d PD . .
H119 H 0.2424 0.4957 0.9244 0.125 Uiso 0.25 1 calc PR A 1
H120 H 0.1589 0.4520 0.9040 0.125 Uiso 0.25 1 calc PR A 1
H121 H 0.1412 0.4625 0.8902 0.125 Uiso 0.25 1 calc PR A 2
H122 H 0.1873 0.5258 0.8910 0.125 Uiso 0.25 1 calc PR A 2
Cl9 Cl 0.0887(6) 0.5124(3) 0.92659(18) 0.0689(15) Uiso 0.50 1 d PD B .
Cl10 Cl 0.2244(8) 0.5021(4) 0.8742(3) 0.047(2) Uiso 0.25 1 d PD B 1
Cl11 Cl 0.2852(14) 0.4728(7) 0.9226(4) 0.090(4) Uiso 0.25 1 d PD B 2
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'
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
C1 Ir1 P1 101.0(2) . .
C1 Ir1 P3 97.4(2) . .
P1 Ir1 P3 145.99(6) . .
C1 Ir1 P2 92.2(2) . .
P1 Ir1 P2 104.20(6) . .
P3 Ir1 P2 103.38(6) . .
O1 C1 Ir1 176.5(7) . .
C8 P1 C14 107.1(4) . .
C8 P1 C2 102.0(3) . .
C14 P1 C2 101.8(3) . .
C8 P1 Ir1 118.9(2) . .
C14 P1 Ir1 113.3(2) . .
C2 P1 Ir1 111.8(2) . .
C7 C2 C3 118.6(7) . .
C7 C2 P1 118.5(6) . .
C3 C2 P1 122.9(5) . .
C4 C3 C2 120.1(7) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 120.7(8) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C6 C5 C4 119.7(7) . .
C6 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C5 C6 C7 120.8(7) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C6 C7 C2 120.2(7) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
C13 C8 C9 117.9(7) . .
C13 C8 P1 122.8(6) . .
C9 C8 P1 118.6(6) . .
C10 C9 C8 120.0(9) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C11 C10 C9 121.1(10) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 119.3(9) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C13 C12 C11 119.2(9) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C8 122.5(9) . .
C12 C13 H13 118.8 . .
C8 C13 H13 118.8 . .
C19 C14 C15 120.1(7) . .
C19 C14 P1 116.4(6) . .
C15 C14 P1 123.4(6) . .
C14 C15 C16 118.5(9) . .
C14 C15 H15 120.7 . .
C16 C15 H15 120.7 . .
C17 C16 C15 121.0(8) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C16 C17 C18 120.5(8) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C17 C18 C19 119.7(9) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C14 C19 C18 120.1(8) . .
C14 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C32 P2 C20 105.9(3) . .
C32 P2 C26 99.5(3) . .
C20 P2 C26 104.2(3) . .
C32 P2 Ir1 115.4(2) . .
C20 P2 Ir1 116.5(2) . .
C26 P2 Ir1 113.4(2) . .
C25 C20 C21 118.6(7) . .
C25 C20 P2 123.0(6) . .
C21 C20 P2 118.4(5) . .
C22 C21 C20 118.0(7) . .
C22 C21 H21 121.0 . .
C20 C21 H21 121.0 . .
C23 C22 C21 122.9(8) . .
C23 C22 H22 118.6 . .
C21 C22 H22 118.6 . .
C22 C23 C24 119.7(8) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C25 C24 C23 119.4(8) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C20 121.2(7) . .
C24 C25 H25 119.4 . .
C20 C25 H25 119.4 . .
C31 C26 C27 117.8(7) . .
C31 C26 P2 120.8(6) . .
C27 C26 P2 121.2(6) . .
C28 C27 C26 120.6(7) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C29 C28 C27 120.3(8) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C30 C29 C28 118.8(8) . .
C30 C29 H29 120.6 . .
C28 C29 H29 120.6 . .
C31 C30 C29 121.2(8) . .
C31 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
C30 C31 C26 121.2(8) . .
C30 C31 H31 119.4 . .
C26 C31 H31 119.4 . .
C37 C32 C33 118.4(7) . .
C37 C32 P2 121.5(6) . .
C33 C32 P2 119.8(6) . .
C34 C33 C32 120.1(8) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 120.7(9) . .
C33 C34 H34 119.6 . .
C35 C34 H34 119.6 . .
C36 C35 C34 119.5(8) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C35 C36 C37 120.4(8) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C32 C37 C36 120.8(8) . .
C32 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C38 P3 C50 104.3(3) . .
C38 P3 C44 103.9(3) . .
C50 P3 C44 103.7(3) . .
C38 P3 Ir1 117.6(2) . .
C50 P3 Ir1 116.0(2) . .
C44 P3 Ir1 109.8(2) . .
C43 C38 C39 118.9(7) . .
C43 C38 P3 122.1(6) . .
C39 C38 P3 119.0(5) . .
C38 C39 C40 120.7(7) . .
C38 C39 H39 119.6 . .
C40 C39 H39 119.6 . .
C41 C40 C39 118.6(8) . .
C41 C40 H40 120.7 . .
C39 C40 H40 120.7 . .
C42 C41 C40 120.7(7) . .
C42 C41 H41 119.6 . .
C40 C41 H41 119.6 . .
C41 C42 C43 119.9(8) . .
C41 C42 H42 120.0 . .
C43 C42 H42 120.0 . .
C38 C43 C42 121.1(8) . .
C38 C43 H43 119.4 . .
C42 C43 H43 119.4 . .
C45 C44 C49 118.4(7) . .
C45 C44 P3 121.1(6) . .
C49 C44 P3 120.5(6) . .
C44 C45 C46 119.1(8) . .
C44 C45 H45 120.4 . .
C46 C45 H45 120.4 . .
C47 C46 C45 121.0(9) . .
C47 C46 H46 119.5 . .
C45 C46 H46 119.5 . .
C46 C47 C48 120.3(9) . .
C46 C47 H47 119.8 . .
C48 C47 H47 119.8 . .
C49 C48 C47 119.8(8) . .
C49 C48 H48 120.1 . .
C47 C48 H48 120.1 . .
C48 C49 C44 121.4(8) . .
C48 C49 H49 119.3 . .
C44 C49 H49 119.3 . .
C55 C50 C51 118.8(7) . .
C55 C50 P3 119.1(6) . .
C51 C50 P3 122.0(6) . .
C50 C51 C52 119.6(8) . .
C50 C51 H51 120.2 . .
C52 C51 H51 120.2 . .
C53 C52 C51 119.6(8) . .
C53 C52 H52 120.2 . .
C51 C52 H52 120.2 . .
C52 C53 C54 119.8(8) . .
C52 C53 H53 120.1 . .
C54 C53 H53 120.1 . .
C55 C54 C53 120.7(8) . .
C55 C54 H54 119.6 . .
C53 C54 H54 119.6 . .
C54 C55 C50 121.4(7) . .
C54 C55 H55 119.3 . .
C50 C55 H55 119.3 . .
C56 Ir2 P4 97.1(2) . .
C56 Ir2 P6 100.7(2) . .
P4 Ir2 P6 147.59(6) . .
C56 Ir2 P5 91.8(2) . .
P4 Ir2 P5 102.98(6) . .
P6 Ir2 P5 103.35(6) . .
O2 C56 Ir2 178.0(7) . .
C69 P4 C63 103.9(3) . .
C69 P4 C57 102.8(3) . .
C63 P4 C57 103.2(3) . .
C69 P4 Ir2 117.4(2) . .
C63 P4 Ir2 116.9(2) . .
C57 P4 Ir2 110.9(2) . .
C62 C57 C58 117.9(7) . .
C62 C57 P4 120.5(6) . .
C58 C57 P4 121.6(6) . .
C59 C58 C57 120.8(9) . .
C59 C58 H58 119.6 . .
C57 C58 H58 119.6 . .
C58 C59 C60 119.8(9) . .
C58 C59 H59 120.1 . .
C60 C59 H59 120.1 . .
C61 C60 C59 119.7(9) . .
C61 C60 H60 120.2 . .
C59 C60 H60 120.2 . .
C60 C61 C62 120.0(9) . .
C60 C61 H61 120.0 . .
C62 C61 H61 120.0 . .
C61 C62 C57 121.7(8) . .
C61 C62 H62 119.1 . .
C57 C62 H62 119.1 . .
C64 C63 C68 120.1(7) . .
C64 C63 P4 119.4(5) . .
C68 C63 P4 120.4(6) . .
C65 C64 C63 120.6(7) . .
C65 C64 H64 119.7 . .
C63 C64 H64 119.7 . .
C64 C65 C66 119.9(8) . .
C64 C65 H65 120.0 . .
C66 C65 H65 120.0 . .
C67 C66 C65 120.3(8) . .
C67 C66 H66 119.9 . .
C65 C66 H66 119.9 . .
C66 C67 C68 120.5(8) . .
C66 C67 H67 119.8 . .
C68 C67 H67 119.8 . .
C67 C68 C63 118.6(7) . .
C67 C68 H68 120.7 . .
C63 C68 H68 120.7 . .
C70 C69 C74 119.2(7) . .
C70 C69 P4 123.2(6) . .
C74 C69 P4 117.6(5) . .
C69 C70 C71 120.0(8) . .
C69 C70 H70 120.0 . .
C71 C70 H70 120.0 . .
C72 C71 C70 120.3(8) . .
C72 C71 H71 119.8 . .
C70 C71 H71 119.8 . .
C71 C72 C73 121.0(8) . .
C71 C72 H72 119.5 . .
C73 C72 H72 119.5 . .
C72 C73 C74 119.6(8) . .
C72 C73 H73 120.2 . .
C74 C73 H73 120.2 . .
C73 C74 C69 119.9(7) . .
C73 C74 H74 120.0 . .
C69 C74 H74 120.0 . .
C75 P5 C87 104.6(3) . .
C75 P5 C81 104.9(3) . .
C87 P5 C81 99.6(3) . .
C75 P5 Ir2 116.8(2) . .
C87 P5 Ir2 113.0(2) . .
C81 P5 Ir2 116.0(3) . .
C80 C75 C76 119.2(7) . .
C80 C75 P5 122.3(6) . .
C76 C75 P5 118.5(5) . .
C77 C76 C75 120.6(7) . .
C77 C76 H76 119.7 . .
C75 C76 H76 119.7 . .
C76 C77 C78 119.9(7) . .
C76 C77 H77 120.1 . .
C78 C77 H77 120.1 . .
C79 C78 C77 119.5(7) . .
C79 C78 H78 120.3 . .
C77 C78 H78 120.3 . .
C78 C79 C80 120.9(7) . .
C78 C79 H79 119.5 . .
C80 C79 H79 119.5 . .
C75 C80 C79 119.9(7) . .
C75 C80 H80 120.1 . .
C79 C80 H80 120.1 . .
C82 C81 C86 118.8(7) . .
C82 C81 P5 120.7(6) . .
C86 C81 P5 120.5(6) . .
C81 C82 C83 121.0(9) . .
C81 C82 H82 119.5 . .
C83 C82 H82 119.5 . .
C82 C83 C84 119.1(9) . .
C82 C83 H83 120.5 . .
C84 C83 H83 120.5 . .
C85 C84 C83 120.7(9) . .
C85 C84 H84 119.7 . .
C83 C84 H84 119.7 . .
C84 C85 C86 119.6(8) . .
C84 C85 H85 120.2 . .
C86 C85 H85 120.2 . .
C85 C86 C81 120.7(8) . .
C85 C86 H86 119.7 . .
C81 C86 H86 119.7 . .
C88 C87 C92 118.8(7) . .
C88 C87 P5 119.1(6) . .
C92 C87 P5 121.7(6) . .
C87 C88 C89 120.0(8) . .
C87 C88 H88 120.0 . .
C89 C88 H88 120.0 . .
C90 C89 C88 120.2(8) . .
C90 C89 H89 119.9 . .
C88 C89 H89 119.9 . .
C89 C90 C91 120.1(7) . .
C89 C90 H90 120.0 . .
C91 C90 H90 120.0 . .
C90 C91 C92 120.6(8) . .
C90 C91 H91 119.7 . .
C92 C91 H91 119.7 . .
C91 C92 C87 120.3(7) . .
C91 C92 H92 119.9 . .
C87 C92 H92 119.9 . .
C93 P6 C105 109.1(3) . .
C93 P6 C99 101.1(3) . .
C105 P6 C99 100.8(3) . .
C93 P6 Ir2 118.4(2) . .
C105 P6 Ir2 113.3(2) . .
C99 P6 Ir2 112.1(2) . .
C94 C93 C98 117.7(7) . .
C94 C93 P6 119.1(6) . .
C98 C93 P6 122.9(6) . .
C95 C94 C93 120.2(8) . .
C95 C94 H94 119.9 . .
C93 C94 H94 119.9 . .
C96 C95 C94 120.9(8) . .
C96 C95 H95 119.5 . .
C94 C95 H95 119.5 . .
C95 C96 C97 120.2(8) . .
C95 C96 H96 119.9 . .
C97 C96 H96 119.9 . .
C98 C97 C96 119.9(9) . .
C98 C97 H97 120.0 . .
C96 C97 H97 120.0 . .
C97 C98 C93 121.0(8) . .
C97 C98 H98 119.5 . .
C93 C98 H98 119.5 . .
C104 C99 C100 119.2(7) . .
C104 C99 P6 117.9(5) . .
C100 C99 P6 122.9(5) . .
C101 C100 C99 120.0(7) . .
C101 C100 H100 120.0 . .
C99 C100 H100 120.0 . .
C102 C101 C100 120.7(8) . .
C102 C101 H101 119.7 . .
C100 C101 H101 119.7 . .
C101 C102 C103 119.9(8) . .
C101 C102 H102 120.0 . .
C103 C102 H102 120.0 . .
C102 C103 C104 120.4(8) . .
C102 C103 H103 119.8 . .
C104 C103 H103 119.8 . .
C99 C104 C103 119.8(8) . .
C99 C104 H104 120.1 . .
C103 C104 H104 120.1 . .
C110 C105 C106 118.6(7) . .
C110 C105 P6 125.5(6) . .
C106 C105 P6 115.8(6) . .
C107 C106 C105 120.6(8) . .
C107 C106 H106 119.7 . .
C105 C106 H106 119.7 . .
C106 C107 C108 120.1(8) . .
C106 C107 H107 120.0 . .
C108 C107 H107 120.0 . .
C107 C108 C109 119.3(8) . .
C107 C108 H108 120.4 . .
C109 C108 H108 120.4 . .
C110 C109 C108 120.7(8) . .
C110 C109 H109 119.7 . .
C108 C109 H109 119.7 . .
C105 C110 C109 120.7(8) . .
C105 C110 H110 119.7 . .
C109 C110 H110 119.7 . .
F3 B1 F2 108.4(11) . .
F3 B1 F1 111.0(9) . .
F2 B1 F1 109.3(9) . .
F3 B1 F4 115.3(11) . .
F2 B1 F4 105.4(10) . .
F1 B1 F4 107.2(10) . .
F5 B2 F7 122(5) . .
F5 B2 B2 89(3) . 3_666
F7 B2 B2 118(4) . 3_666
F5 B2 F6 111(3) . .
F7 B2 F6 111(3) . .
B2 B2 F6 102(6) 3_666 .
F5 B2 F5 131(3) . 3_666
F7 B2 F5 90(2) . 3_666
B2 B2 F5 42(3) 3_666 3_666
F6 B2 F5 85(3) . 3_666
B2 F5 B2 49(3) . 3_666
F9 B3 F10 119(4) . .
F9 B3 F8 114(4) . 3_667
F10 B3 F8 105(4) . 3_667
F9 B3 F8 115(4) . .
F10 B3 F8 83(3) . .
F8 B3 F8 115(3) 3_667 .
F9 B3 B3 142(6) . 3_667
F10 B3 B3 97(5) . 3_667
F8 B3 B3 58(3) 3_667 3_667
F8 B3 B3 58(3) . 3_667
B3 F8 B3 65(3) 3_667 .
Cl1 C111 Cl2 112.2(9) . .
Cl1 C111 H111 109.2 . .
Cl2 C111 H111 109.2 . .
Cl1 C111 H112 109.2 . .
Cl2 C111 H112 109.2 . .
H111 C111 H112 107.9 . .
Cl4 C112 Cl3 111.3(11) . .
Cl4 C112 H113 109.4 . .
Cl3 C112 H113 109.4 . .
Cl4 C112 H114 109.4 . .
Cl3 C112 H114 109.4 . .
H113 C112 H114 108.0 . .
Cl5 C113 Cl6 122.2(10) . .
Cl5 C113 H115 106.8 . .
Cl6 C113 H115 106.8 . .
Cl5 C113 H116 106.8 . .
Cl6 C113 H116 106.8 . .
H115 C113 H116 106.6 . .
Cl8 C114 Cl7 121(2) . .
Cl8 C114 H117 107.0 . .
Cl7 C114 H117 107.0 . .
Cl8 C114 H118 107.0 . .
Cl7 C114 H118 107.0 . .
H117 C114 H118 106.7 . .
Cl11 C115 Cl10 85.7(11) . .
Cl11 C115 Cl9 123.2(15) . .
Cl10 C115 Cl9 146.4(18) . .
Cl11 C115 H119 28.7 . .
Cl10 C115 H119 100.2 . .
Cl9 C115 H119 100.2 . .
Cl11 C115 H120 82.7 . .
Cl10 C115 H120 100.2 . .
Cl9 C115 H120 100.2 . .
H119 C115 H120 104.2 . .
Cl11 C115 H121 106.5 . .
Cl10 C115 H121 77.0 . .
Cl9 C115 H121 106.5 . .
H119 C115 H121 133.9 . .
H120 C115 H121 34.9 . .
Cl11 C115 H122 106.5 . .
Cl10 C115 H122 43.2 . .
Cl9 C115 H122 106.5 . .
H119 C115 H122 100.8 . .
H120 C115 H122 139.1 . .
H121 C115 H122 106.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 1.929(7) .
Ir1 P1 2.3422(17) .
Ir1 P3 2.3447(17) .
Ir1 P2 2.4221(17) .
C1 O1 1.126(9) .
P1 C8 1.831(8) .
P1 C14 1.833(7) .
P1 C2 1.835(7) .
C2 C7 1.398(10) .
C2 C3 1.399(10) .
C3 C4 1.394(11) .
C3 H3 0.9500 .
C4 C5 1.381(12) .
C4 H4 0.9500 .
C5 C6 1.366(12) .
C5 H5 0.9500 .
C6 C7 1.396(11) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C13 1.377(11) .
C8 C9 1.408(12) .
C9 C10 1.392(12) .
C9 H9 0.9500 .
C10 C11 1.361(16) .
C10 H10 0.9500 .
C11 C12 1.414(16) .
C11 H11 0.9500 .
C12 C13 1.367(12) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.388(11) .
C14 C15 1.393(10) .
C15 C16 1.421(12) .
C15 H15 0.9500 .
C16 C17 1.353(15) .
C16 H16 0.9500 .
C17 C18 1.387(14) .
C17 H17 0.9500 .
C18 C19 1.400(11) .
C18 H18 0.9500 .
C19 H19 0.9500 .
P2 C32 1.819(7) .
P2 C20 1.823(7) .
P2 C26 1.835(7) .
C20 C25 1.392(10) .
C20 C21 1.417(10) .
C21 C22 1.397(11) .
C21 H21 0.9500 .
C22 C23 1.346(13) .
C22 H22 0.9500 .
C23 C24 1.390(13) .
C23 H23 0.9500 .
C24 C25 1.389(11) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C31 1.389(10) .
C26 C27 1.409(10) .
C27 C28 1.392(11) .
C27 H27 0.9500 .
C28 C29 1.388(12) .
C28 H28 0.9500 .
C29 C30 1.387(13) .
C29 H29 0.9500 .
C30 C31 1.371(11) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C37 1.375(10) .
C32 C33 1.422(10) .
C33 C34 1.378(11) .
C33 H33 0.9500 .
C34 C35 1.394(14) .
C34 H34 0.9500 .
C35 C36 1.368(14) .
C35 H35 0.9500 .
C36 C37 1.405(11) .
C36 H36 0.9500 .
C37 H37 0.9500 .
P3 C38 1.819(7) .
P3 C50 1.825(7) .
P3 C44 1.826(7) .
C38 C43 1.380(10) .
C38 C39 1.389(10) .
C39 C40 1.400(10) .
C39 H39 0.9500 .
C40 C41 1.393(12) .
C40 H40 0.9500 .
C41 C42 1.370(13) .
C41 H41 0.9500 .
C42 C43 1.382(11) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 C45 1.384(11) .
C44 C49 1.406(11) .
C45 C46 1.405(12) .
C45 H45 0.9500 .
C46 C47 1.358(14) .
C46 H46 0.9500 .
C47 C48 1.373(13) .
C47 H47 0.9500 .
C48 C49 1.364(12) .
C48 H48 0.9500 .
C49 H49 0.9500 .
C50 C55 1.393(11) .
C50 C51 1.394(11) .
C51 C52 1.438(12) .
C51 H51 0.9500 .
C52 C53 1.379(13) .
C52 H52 0.9500 .
C53 C54 1.386(13) .
C53 H53 0.9500 .
C54 C55 1.374(11) .
C54 H54 0.9500 .
C55 H55 0.9500 .
Ir2 C56 1.928(7) .
Ir2 P4 2.3467(17) .
Ir2 P6 2.3493(17) .
Ir2 P5 2.4207(18) .
C56 O2 1.130(9) .
P4 C69 1.825(7) .
P4 C63 1.833(7) .
P4 C57 1.833(8) .
C57 C62 1.388(11) .
C57 C58 1.390(11) .
C58 C59 1.386(13) .
C58 H58 0.9500 .
C59 C60 1.394(15) .
C59 H59 0.9500 .
C60 C61 1.373(15) .
C60 H60 0.9500 .
C61 C62 1.375(12) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C64 1.380(10) .
C63 C68 1.406(10) .
C64 C65 1.373(10) .
C64 H64 0.9500 .
C65 C66 1.396(13) .
C65 H65 0.9500 .
C66 C67 1.369(13) .
C66 H66 0.9500 .
C67 C68 1.405(11) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C70 1.382(10) .
C69 C74 1.408(10) .
C70 C71 1.394(10) .
C70 H70 0.9500 .
C71 C72 1.365(13) .
C71 H71 0.9500 .
C72 C73 1.374(12) .
C72 H72 0.9500 .
C73 C74 1.392(10) .
C73 H73 0.9500 .
C74 H74 0.9500 .
P5 C75 1.835(7) .
P5 C87 1.842(7) .
P5 C81 1.844(8) .
C75 C80 1.385(10) .
C75 C76 1.397(10) .
C76 C77 1.386(10) .
C76 H76 0.9500 .
C77 C78 1.402(11) .
C77 H77 0.9500 .
C78 C79 1.368(12) .
C78 H78 0.9500 .
C79 C80 1.403(11) .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C82 1.377(11) .
C81 C86 1.392(11) .
C82 C83 1.384(13) .
C82 H82 0.9500 .
C83 C84 1.396(16) .
C83 H83 0.9500 .
C84 C85 1.363(14) .
C84 H84 0.9500 .
C85 C86 1.391(11) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 C88 1.382(11) .
C87 C92 1.403(11) .
C88 C89 1.411(11) .
C88 H88 0.9500 .
C89 C90 1.363(13) .
C89 H89 0.9500 .
C90 C91 1.377(13) .
C90 H90 0.9500 .
C91 C92 1.378(11) .
C91 H91 0.9500 .
C92 H92 0.9500 .
P6 C93 1.812(7) .
P6 C105 1.829(7) .
P6 C99 1.836(7) .
C93 C94 1.401(11) .
C93 C98 1.415(11) .
C94 C95 1.401(11) .
C94 H94 0.9500 .
C95 C96 1.349(14) .
C95 H95 0.9500 .
C96 C97 1.402(14) .
C96 H96 0.9500 .
C97 C98 1.371(11) .
C97 H97 0.9500 .
C98 H98 0.9500 .
C99 C104 1.393(10) .
C99 C100 1.400(10) .
C100 C101 1.385(11) .
C100 H100 0.9500 .
C101 C102 1.376(12) .
C101 H101 0.9500 .
C102 C103 1.380(13) .
C102 H102 0.9500 .
C103 C104 1.398(11) .
C103 H103 0.9500 .
C104 H104 0.9500 .
C105 C110 1.380(10) .
C105 C106 1.413(11) .
C106 C107 1.382(11) .
C106 H106 0.9500 .
C107 C108 1.389(13) .
C107 H107 0.9500 .
C108 C109 1.394(14) .
C108 H108 0.9500 .
C109 C110 1.383(11) .
C109 H109 0.9500 .
C110 H110 0.9500 .
B1 F3 1.345(15) .
B1 F2 1.383(13) .
B1 F1 1.386(13) .
B1 F4 1.400(14) .
B2 F5 1.12(4) .
B2 F7 1.17(4) .
B2 B2 1.26(9) 3_666
B2 F6 1.51(5) .
B2 F5 1.67(5) 3_666
F5 B2 1.67(5) 3_666
B3 F9 1.26(5) .
B3 F10 1.27(5) .
B3 F8 1.42(5) 3_667
B3 F8 1.43(5) .
B3 B3 1.52(9) 3_667
F8 B3 1.42(5) 3_667
C111 Cl1 1.688(18) .
C111 Cl2 1.751(16) .
C111 H111 0.9900 .
C111 H112 0.9900 .
C112 Cl4 1.753(18) .
C112 Cl3 1.756(13) .
C112 H113 0.9900 .
C112 H114 0.9900 .
C113 Cl5 1.572(16) .
C113 Cl6 1.676(14) .
C113 H115 0.9900 .
C113 H116 0.9900 .
C114 Cl8 1.76(2) .
C114 Cl7 1.79(2) .
C114 H117 0.9900 .
C114 H118 0.9900 .
C115 Cl11 1.470(15) .
C115 Cl10 1.496(13) .
C115 Cl9 1.521(12) .
C115 H119 0.9900 .
C115 H120 0.9900 .
C115 H121 0.9900 .
C115 H122 0.9900 .
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 C1 O1 -114(13) . .
P3 Ir1 C1 O1 37(13) . .
P2 Ir1 C1 O1 141(13) . .
C1 Ir1 P1 C8 -116.5(4) . .
P3 Ir1 P1 C8 121.9(3) . .
P2 Ir1 P1 C8 -21.4(3) . .
C1 Ir1 P1 C14 10.6(4) . .
P3 Ir1 P1 C14 -110.9(3) . .
P2 Ir1 P1 C14 105.8(3) . .
C1 Ir1 P1 C2 125.0(3) . .
P3 Ir1 P1 C2 3.4(3) . .
P2 Ir1 P1 C2 -139.9(2) . .
C8 P1 C2 C7 65.0(7) . .
C14 P1 C2 C7 -45.5(7) . .
Ir1 P1 C2 C7 -166.8(5) . .
C8 P1 C2 C3 -114.7(7) . .
C14 P1 C2 C3 134.7(6) . .
Ir1 P1 C2 C3 13.4(7) . .
C7 C2 C3 C4 -0.4(11) . .
P1 C2 C3 C4 179.3(6) . .
C2 C3 C4 C5 -0.5(13) . .
C3 C4 C5 C6 0.6(13) . .
C4 C5 C6 C7 0.1(13) . .
C5 C6 C7 C2 -1.0(13) . .
C3 C2 C7 C6 1.1(12) . .
P1 C2 C7 C6 -178.6(6) . .
C14 P1 C8 C13 -52.7(7) . .
C2 P1 C8 C13 -159.2(7) . .
Ir1 P1 C8 C13 77.3(7) . .
C14 P1 C8 C9 136.2(6) . .
C2 P1 C8 C9 29.7(7) . .
Ir1 P1 C8 C9 -93.8(6) . .
C13 C8 C9 C10 0.5(12) . .
P1 C8 C9 C10 172.0(7) . .
C8 C9 C10 C11 -0.4(13) . .
C9 C10 C11 C12 0.7(14) . .
C10 C11 C12 C13 -1.1(13) . .
C11 C12 C13 C8 1.3(13) . .
C9 C8 C13 C12 -0.9(12) . .
P1 C8 C13 C12 -172.1(6) . .
C8 P1 C14 C19 175.0(6) . .
C2 P1 C14 C19 -78.4(7) . .
Ir1 P1 C14 C19 41.9(7) . .
C8 P1 C14 C15 -9.0(8) . .
C2 P1 C14 C15 97.6(7) . .
Ir1 P1 C14 C15 -142.1(6) . .
C19 C14 C15 C16 -0.7(12) . .
P1 C14 C15 C16 -176.6(6) . .
C14 C15 C16 C17 1.3(13) . .
C15 C16 C17 C18 -0.8(14) . .
C16 C17 C18 C19 -0.2(14) . .
C15 C14 C19 C18 -0.2(13) . .
P1 C14 C19 C18 175.9(7) . .
C17 C18 C19 C14 0.7(14) . .
C1 Ir1 P2 C32 56.2(3) . .
P1 Ir1 P2 C32 -45.7(3) . .
P3 Ir1 P2 C32 154.4(3) . .
C1 Ir1 P2 C20 -178.7(3) . .
P1 Ir1 P2 C20 79.4(2) . .
P3 Ir1 P2 C20 -80.5(3) . .
C1 Ir1 P2 C26 -57.7(3) . .
P1 Ir1 P2 C26 -159.6(3) . .
P3 Ir1 P2 C26 40.5(3) . .
C32 P2 C20 C25 -81.1(7) . .
C26 P2 C20 C25 23.4(7) . .
Ir1 P2 C20 C25 149.2(6) . .
C32 P2 C20 C21 99.9(6) . .
C26 P2 C20 C21 -155.6(6) . .
Ir1 P2 C20 C21 -29.8(6) . .
C25 C20 C21 C22 -2.9(11) . .
P2 C20 C21 C22 176.2(6) . .
C20 C21 C22 C23 0.2(12) . .
C21 C22 C23 C24 1.7(14) . .
C22 C23 C24 C25 -0.7(13) . .
C23 C24 C25 C20 -2.1(13) . .
C21 C20 C25 C24 3.9(11) . .
P2 C20 C25 C24 -175.1(6) . .
C32 P2 C26 C31 -30.3(7) . .
C20 P2 C26 C31 -139.6(7) . .
Ir1 P2 C26 C31 92.8(7) . .
C32 P2 C26 C27 154.4(6) . .
C20 P2 C26 C27 45.2(7) . .
Ir1 P2 C26 C27 -82.5(6) . .
C31 C26 C27 C28 -1.8(12) . .
P2 C26 C27 C28 173.6(6) . .
C26 C27 C28 C29 1.2(13) . .
C27 C28 C29 C30 -0.4(14) . .
C28 C29 C30 C31 0.3(16) . .
C29 C30 C31 C26 -1.0(15) . .
C27 C26 C31 C30 1.7(13) . .
P2 C26 C31 C30 -173.8(7) . .
C20 P2 C32 C37 -157.5(6) . .
C26 P2 C32 C37 94.7(7) . .
Ir1 P2 C32 C37 -27.1(7) . .
C20 P2 C32 C33 29.0(7) . .
C26 P2 C32 C33 -78.9(7) . .
Ir1 P2 C32 C33 159.4(5) . .
C37 C32 C33 C34 0.3(12) . .
P2 C32 C33 C34 174.0(7) . .
C32 C33 C34 C35 -0.1(15) . .
C33 C34 C35 C36 -0.4(16) . .
C34 C35 C36 C37 0.7(15) . .
C33 C32 C37 C36 0.0(12) . .
P2 C32 C37 C36 -173.6(6) . .
C35 C36 C37 C32 -0.5(13) . .
C1 Ir1 P3 C38 128.3(3) . .
P1 Ir1 P3 C38 -109.2(3) . .
P2 Ir1 P3 C38 34.3(3) . .
C1 Ir1 P3 C50 3.9(4) . .
P1 Ir1 P3 C50 126.4(3) . .
P2 Ir1 P3 C50 -90.2(3) . .
C1 Ir1 P3 C44 -113.2(3) . .
P1 Ir1 P3 C44 9.3(3) . .
P2 Ir1 P3 C44 152.8(3) . .
C50 P3 C38 C43 -12.1(7) . .
C44 P3 C38 C43 96.2(7) . .
Ir1 P3 C38 C43 -142.2(6) . .
C50 P3 C38 C39 166.7(6) . .
C44 P3 C38 C39 -85.0(6) . .
Ir1 P3 C38 C39 36.7(7) . .
C43 C38 C39 C40 1.2(11) . .
P3 C38 C39 C40 -177.7(6) . .
C38 C39 C40 C41 -0.7(12) . .
C39 C40 C41 C42 -0.7(13) . .
C40 C41 C42 C43 1.6(14) . .
C39 C38 C43 C42 -0.3(12) . .
P3 C38 C43 C42 178.5(7) . .
C41 C42 C43 C38 -1.0(13) . .
C38 P3 C44 C45 2.6(8) . .
C50 P3 C44 C45 111.4(7) . .
Ir1 P3 C44 C45 -124.1(7) . .
C38 P3 C44 C49 -179.4(6) . .
C50 P3 C44 C49 -70.5(7) . .
Ir1 P3 C44 C49 54.0(7) . .
C49 C44 C45 C46 -0.8(13) . .
P3 C44 C45 C46 177.3(8) . .
C44 C45 C46 C47 -0.1(18) . .
C45 C46 C47 C48 1.8(19) . .
C46 C47 C48 C49 -2.4(16) . .
C47 C48 C49 C44 1.4(13) . .
C45 C44 C49 C48 0.2(12) . .
P3 C44 C49 C48 -177.9(7) . .
C38 P3 C50 C55 -82.1(6) . .
C44 P3 C50 C55 169.4(6) . .
Ir1 P3 C50 C55 49.0(7) . .
C38 P3 C50 C51 95.7(7) . .
C44 P3 C50 C51 -12.8(7) . .
Ir1 P3 C50 C51 -133.2(6) . .
C55 C50 C51 C52 -1.0(11) . .
P3 C50 C51 C52 -178.8(6) . .
C50 C51 C52 C53 -0.3(12) . .
C51 C52 C53 C54 2.3(13) . .
C52 C53 C54 C55 -3.0(14) . .
C53 C54 C55 C50 1.7(13) . .
C51 C50 C55 C54 0.3(12) . .
P3 C50 C55 C54 178.2(6) . .
P4 Ir2 C56 O2 -28(22) . .
P6 Ir2 C56 O2 124(22) . .
P5 Ir2 C56 O2 -132(22) . .
C56 Ir2 P4 C69 -2.8(3) . .
P6 Ir2 P4 C69 -125.6(3) . .
P5 Ir2 P4 C69 90.7(3) . .
C56 Ir2 P4 C63 -127.2(3) . .
P6 Ir2 P4 C63 109.9(3) . .
P5 Ir2 P4 C63 -33.7(3) . .
C56 Ir2 P4 C57 114.9(3) . .
P6 Ir2 P4 C57 -8.0(3) . .
P5 Ir2 P4 C57 -151.6(3) . .
C69 P4 C57 C62 74.0(7) . .
C63 P4 C57 C62 -178.2(6) . .
Ir2 P4 C57 C62 -52.3(7) . .
C69 P4 C57 C58 -105.1(7) . .
C63 P4 C57 C58 2.6(8) . .
Ir2 P4 C57 C58 128.6(7) . .
C62 C57 C58 C59 1.9(14) . .
P4 C57 C58 C59 -178.9(9) . .
C57 C58 C59 C60 -0.2(18) . .
C58 C59 C60 C61 -1.9(19) . .
C59 C60 C61 C62 2.3(18) . .
C60 C61 C62 C57 -0.6(15) . .
C58 C57 C62 C61 -1.5(13) . .
P4 C57 C62 C61 179.3(7) . .
C69 P4 C63 C64 -170.0(6) . .
C57 P4 C63 C64 83.1(6) . .
Ir2 P4 C63 C64 -39.0(7) . .
C69 P4 C63 C68 13.9(7) . .
C57 P4 C63 C68 -93.0(7) . .
Ir2 P4 C63 C68 145.0(6) . .
C68 C63 C64 C65 -2.4(11) . .
P4 C63 C64 C65 -178.5(6) . .
C63 C64 C65 C66 0.1(12) . .
C64 C65 C66 C67 1.2(13) . .
C65 C66 C67 C68 -0.1(14) . .
C66 C67 C68 C63 -2.1(13) . .
C64 C63 C68 C67 3.3(12) . .
P4 C63 C68 C67 179.4(6) . .
C63 P4 C69 C70 -103.4(6) . .
C57 P4 C69 C70 3.9(7) . .
Ir2 P4 C69 C70 125.9(6) . .
C63 P4 C69 C74 75.1(6) . .
C57 P4 C69 C74 -177.7(6) . .
Ir2 P4 C69 C74 -55.7(6) . .
C74 C69 C70 C71 -0.8(11) . .
P4 C69 C70 C71 177.6(6) . .
C69 C70 C71 C72 -0.5(13) . .
C70 C71 C72 C73 1.2(14) . .
C71 C72 C73 C74 -0.6(13) . .
C72 C73 C74 C69 -0.7(13) . .
C70 C69 C74 C73 1.4(11) . .
P4 C69 C74 C73 -177.2(6) . .
C56 Ir2 P5 C75 179.2(3) . .
P4 Ir2 P5 C75 81.6(3) . .
P6 Ir2 P5 C75 -79.4(3) . .
C56 Ir2 P5 C87 57.9(3) . .
P4 Ir2 P5 C87 -39.8(3) . .
P6 Ir2 P5 C87 159.3(3) . .
C56 Ir2 P5 C81 -56.3(3) . .
P4 Ir2 P5 C81 -153.9(3) . .
P6 Ir2 P5 C81 45.1(3) . .
C87 P5 C75 C80 -25.2(7) . .
C81 P5 C75 C80 79.1(7) . .
Ir2 P5 C75 C80 -150.9(5) . .
C87 P5 C75 C76 153.3(6) . .
C81 P5 C75 C76 -102.3(6) . .
Ir2 P5 C75 C76 27.6(7) . .
C80 C75 C76 C77 0.4(12) . .
P5 C75 C76 C77 -178.2(7) . .
C75 C76 C77 C78 1.8(13) . .
C76 C77 C78 C79 -2.5(14) . .
C77 C78 C79 C80 1.1(13) . .
C76 C75 C80 C79 -1.9(11) . .
P5 C75 C80 C79 176.6(6) . .
C78 C79 C80 C75 1.2(13) . .
C75 P5 C81 C82 -35.1(8) . .
C87 P5 C81 C82 72.9(7) . .
Ir2 P5 C81 C82 -165.5(6) . .
C75 P5 C81 C86 147.1(6) . .
C87 P5 C81 C86 -104.9(6) . .
Ir2 P5 C81 C86 16.7(7) . .
C86 C81 C82 C83 1.7(14) . .
P5 C81 C82 C83 -176.1(8) . .
C81 C82 C83 C84 -3.2(17) . .
C82 C83 C84 C85 2.4(18) . .
C83 C84 C85 C86 -0.3(16) . .
C84 C85 C86 C81 -1.2(13) . .
C82 C81 C86 C85 0.5(12) . .
P5 C81 C86 C85 178.3(6) . .
C75 P5 C87 C88 146.9(6) . .
C81 P5 C87 C88 38.6(7) . .
Ir2 P5 C87 C88 -85.1(6) . .
C75 P5 C87 C92 -40.1(7) . .
C81 P5 C87 C92 -148.3(6) . .
Ir2 P5 C87 C92 88.0(6) . .
C92 C87 C88 C89 0.6(11) . .
P5 C87 C88 C89 173.8(6) . .
C87 C88 C89 C90 0.5(13) . .
C88 C89 C90 C91 -0.6(13) . .
C89 C90 C91 C92 -0.2(13) . .
C90 C91 C92 C87 1.3(13) . .
C88 C87 C92 C91 -1.4(11) . .
P5 C87 C92 C91 -174.5(6) . .
C56 Ir2 P6 C93 121.8(4) . .
P4 Ir2 P6 C93 -116.2(3) . .
P5 Ir2 P6 C93 27.4(3) . .
C56 Ir2 P6 C105 -7.9(3) . .
P4 Ir2 P6 C105 114.1(3) . .
P5 Ir2 P6 C105 -102.3(3) . .
C56 Ir2 P6 C99 -121.0(3) . .
P4 Ir2 P6 C99 1.0(3) . .
P5 Ir2 P6 C99 144.5(3) . .
C105 P6 C93 C94 -136.5(6) . .
C99 P6 C93 C94 -30.8(7) . .
Ir2 P6 C93 C94 92.0(6) . .
C105 P6 C93 C98 50.1(7) . .
C99 P6 C93 C98 155.7(6) . .
Ir2 P6 C93 C98 -81.4(6) . .
C98 C93 C94 C95 0.0(11) . .
P6 C93 C94 C95 -173.8(6) . .
C93 C94 C95 C96 1.2(13) . .
C94 C95 C96 C97 -2.5(13) . .
C95 C96 C97 C98 2.5(13) . .
C96 C97 C98 C93 -1.3(12) . .
C94 C93 C98 C97 0.1(11) . .
P6 C93 C98 C97 173.6(6) . .
C93 P6 C99 C104 -66.0(7) . .
C105 P6 C99 C104 46.1(7) . .
Ir2 P6 C99 C104 166.9(6) . .
C93 P6 C99 C100 113.6(7) . .
C105 P6 C99 C100 -134.2(6) . .
Ir2 P6 C99 C100 -13.5(7) . .
C104 C99 C100 C101 0.6(12) . .
P6 C99 C100 C101 -179.0(6) . .
C99 C100 C101 C102 -1.1(13) . .
C100 C101 C102 C103 2.0(13) . .
C101 C102 C103 C104 -2.3(14) . .
C100 C99 C104 C103 -0.9(12) . .
P6 C99 C104 C103 178.7(7) . .
C102 C103 C104 C99 1.8(14) . .
C93 P6 C105 C110 -1.3(8) . .
C99 P6 C105 C110 -107.2(7) . .
Ir2 P6 C105 C110 132.9(6) . .
C93 P6 C105 C106 174.7(6) . .
C99 P6 C105 C106 68.8(6) . .
Ir2 P6 C105 C106 -51.1(6) . .
C110 C105 C106 C107 -0.8(12) . .
P6 C105 C106 C107 -177.1(7) . .
C105 C106 C107 C108 -1.1(14) . .
C106 C107 C108 C109 1.2(15) . .
C107 C108 C109 C110 0.5(15) . .
C106 C105 C110 C109 2.6(12) . .
P6 C105 C110 C109 178.5(7) . .
C108 C109 C110 C105 -2.5(14) . .
F7 B2 F5 B2 -123(6) . 3_666
F6 B2 F5 B2 103(7) . 3_666
F5 B2 F5 B2 -0.001(16) 3_666 3_666
F9 B3 F8 B3 -137(6) . 3_667
F10 B3 F8 B3 103(4) . 3_667
F8 B3 F8 B3 0.005(17) 3_667 3_667
