#------------------------------------------------------------------------------
#$Date: 2016-03-24 16:19:21 +0100 (jue 24 de mar de 2016) $
#$Revision: 179685 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/07/7000717.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_7000717
loop_
_publ_author_name
'Park-Gehrke, Lisa S.'
'Freudenthal, John'
'Kaminsky, Werner'
'DiPasquale, Antonio G.'
'Mayer, James M.'
_publ_section_title
;
 Synthesis and oxidation of Cp*IrIII compounds: functionalization of a
 Cp* methyl group
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              1972
_journal_page_last               1983
_journal_paper_doi               10.1039/b820839e
_journal_year                    2009
_chemical_formula_moiety         'C22 H34 Cl4 Ir2 O2, C6 H5 I'
_chemical_formula_sum            'C28 H39 Cl4 I Ir2 O2'
_chemical_formula_weight         1060.73
_chemical_name_common            '[CpOMeIrCl2]2'
_chemical_name_systematic        LP006
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.435(4)
_cell_angle_beta                 100.301(3)
_cell_angle_gamma                99.207(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7721(5)
_cell_length_b                   13.6753(10)
_cell_length_c                   14.3722(9)
_cell_measurement_reflns_used    468
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     1595.48(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'maXus, Zortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0869
_diffrn_reflns_av_sigmaI/netI    0.1387
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10263
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    9.659
_exptl_absorpt_correction_T_max  0.383
_exptl_absorpt_correction_T_min  0.327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cut-block
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5708
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0525
_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)+(0.0310P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1116
_reflns_number_gt                3319
_reflns_number_total             5708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820839e.txt
_cod_data_source_block           shelxl2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1595.41(18)
_cod_database_code               7000717
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.41216(5) 0.21321(4) 0.23876(4) 0.0560(5) Uani 1 1 d . . .
Ir2 Ir 0.26845(6) -0.05756(4) 0.23806(4) 0.0570(5) Uani 1 1 d . . .
I1 I -0.00074(10) 0.52610(7) 0.68545(8) 0.0746(6) Uani 1 1 d . . .
Cl1 Cl 0.1479(4) 0.2429(2) 0.2415(3) 0.0704(10) Uani 1 1 d . . .
Cl2 Cl 0.3886(3) 0.1148(2) 0.3582(2) 0.0589(9) Uani 1 1 d . . .
Cl3 Cl 0.2861(3) 0.0420(2) 0.1187(2) 0.0585(9) Uani 1 1 d . . .
Cl4 Cl 0.5293(4) -0.0837(3) 0.2268(3) 0.0770(11) Uani 1 1 d . . .
O1 O 0.5536(15) 0.3789(10) 0.0343(9) 0.109(4) Uani 1 1 d . . .
O2 O -0.0307(13) -0.3513(9) 0.0380(9) 0.102(3) Uani 1 1 d . . .
C1 C 0.5196(14) 0.3026(10) 0.1585(12) 0.068(4) Uani 1 1 d . . .
C2 C 0.6170(15) 0.2304(10) 0.1783(10) 0.068(3) Uani 1 1 d . . .
C3 C 0.6671(14) 0.2541(11) 0.2825(10) 0.069(4) Uani 1 1 d . . .
C4 C 0.5962(14) 0.3372(10) 0.3304(10) 0.059(3) Uani 1 1 d . . .
C5 C 0.5146(13) 0.3610(15) 0.2517(11) 0.092(6) Uani 1 1 d . . .
C6 C 0.4506(15) 0.3057(11) 0.0575(11) 0.073(4) Uani 1 1 d . . .
H6A H 0.4353 0.2364 0.0086 0.088 Uiso 1 1 calc R . .
H6B H 0.3460 0.3246 0.0553 0.088 Uiso 1 1 calc R . .
C7 C 0.6629(18) 0.1471(12) 0.1035(11) 0.091(5) Uani 1 1 d . . .
H7A H 0.7599 0.1768 0.0868 0.136 Uiso 1 1 calc R . .
H7B H 0.5769 0.1194 0.0434 0.136 Uiso 1 1 calc R . .
H7C H 0.6817 0.0910 0.1315 0.136 Uiso 1 1 calc R . .
C8 C 0.7795(18) 0.1998(11) 0.3353(11) 0.088(5) Uani 1 1 d . . .
H8A H 0.7413 0.1243 0.3076 0.132 Uiso 1 1 calc R . .
H8B H 0.7822 0.2209 0.4064 0.132 Uiso 1 1 calc R . .
H8C H 0.8865 0.2196 0.3256 0.132 Uiso 1 1 calc R . .
C9 C 0.6200(17) 0.3873(12) 0.4391(12) 0.090(5) Uani 1 1 d . . .
H9A H 0.7232 0.4363 0.4645 0.135 Uiso 1 1 calc R . .
H9B H 0.6170 0.3338 0.4730 0.135 Uiso 1 1 calc R . .
H9C H 0.5354 0.4246 0.4511 0.135 Uiso 1 1 calc R . .
C10 C 0.4324(15) 0.4620(11) 0.2682(13) 0.083(5) Uani 1 1 d . . .
H10A H 0.4000 0.4751 0.3314 0.125 Uiso 1 1 calc R . .
H10B H 0.3391 0.4482 0.2138 0.125 Uiso 1 1 calc R . .
H10C H 0.5091 0.5231 0.2693 0.125 Uiso 1 1 calc R . .
C11 C 0.493(3) 0.3802(18) -0.0593(15) 0.141(8) Uani 1 1 d . . .
H11A H 0.4526 0.3087 -0.1032 0.212 Uiso 1 1 calc R . .
H11B H 0.5762 0.4157 -0.0835 0.212 Uiso 1 1 calc R . .
H11C H 0.4058 0.4171 -0.0586 0.212 Uiso 1 1 calc R . .
C13 C 0.0972(17) -0.1961(11) 0.1611(11) 0.071(4) Uani 1 1 d . . .
C14 C 0.1861(15) -0.2059(12) 0.2485(11) 0.079(4) Uani 1 1 d . . .
C15 C 0.1656(14) -0.1304(10) 0.3354(10) 0.063(3) Uani 1 1 d . . .
C16 C 0.0534(11) -0.0774(8) 0.2913(8) 0.042(3) Uani 1 1 d . . .
C17 C 0.0177(14) -0.1119(10) 0.1879(10) 0.059(3) Uani 1 1 d . . .
C18 C 0.0872(18) -0.2609(12) 0.0569(14) 0.103(6) Uani 1 1 d . . .
H18A H 0.0581 -0.2225 0.0094 0.124 Uiso 1 1 calc R . .
H18B H 0.1905 -0.2791 0.0508 0.124 Uiso 1 1 calc R . .
C19 C 0.2823(16) -0.2906(11) 0.2552(14) 0.095(5) Uani 1 1 d . . .
H19A H 0.2095 -0.3562 0.2472 0.142 Uiso 1 1 calc R . .
H19B H 0.3574 -0.2687 0.3201 0.142 Uiso 1 1 calc R . .
H19C H 0.3409 -0.3005 0.2026 0.142 Uiso 1 1 calc R . .
C20 C 0.2239(17) -0.1181(14) 0.4386(12) 0.096(5) Uani 1 1 d . . .
H20A H 0.3035 -0.1601 0.4458 0.144 Uiso 1 1 calc R . .
H20B H 0.1357 -0.1411 0.4666 0.144 Uiso 1 1 calc R . .
H20C H 0.2725 -0.0448 0.4740 0.144 Uiso 1 1 calc R . .
C21 C -0.0035(14) 0.0122(10) 0.3574(10) 0.068(4) Uani 1 1 d . . .
H21A H -0.0016 0.0692 0.3280 0.102 Uiso 1 1 calc R . .
H21B H 0.0670 0.0372 0.4239 0.102 Uiso 1 1 calc R . .
H21C H -0.1121 -0.0132 0.3620 0.102 Uiso 1 1 calc R . .
C22 C -0.0940(16) -0.0748(11) 0.1201(11) 0.079(4) Uani 1 1 d . . .
H22A H -0.2034 -0.1108 0.1131 0.119 Uiso 1 1 calc R . .
H22B H -0.0684 -0.0896 0.0548 0.119 Uiso 1 1 calc R . .
H22C H -0.0834 0.0003 0.1480 0.119 Uiso 1 1 calc R . .
C23 C -0.048(2) -0.4195(15) -0.0613(14) 0.130(7) Uani 1 1 d . . .
H23A H -0.0744 -0.3825 -0.1097 0.195 Uiso 1 1 calc R . .
H23B H -0.1328 -0.4809 -0.0745 0.195 Uiso 1 1 calc R . .
H23C H 0.0521 -0.4413 -0.0669 0.195 Uiso 1 1 calc R . .
C24 C 0.1103(16) 0.4004(11) 0.6484(11) 0.073(4) Uani 1 1 d . . .
C25 C 0.1291(17) 0.3638(12) 0.5554(14) 0.089(5) Uani 1 1 d . . .
H25 H 0.0914 0.3939 0.5058 0.107 Uiso 1 1 calc R . .
C26 C 0.2025(18) 0.2836(12) 0.5334(13) 0.084(4) Uani 1 1 d . . .
H26 H 0.2154 0.2594 0.4675 0.100 Uiso 1 1 calc R . .
C27 C 0.2583(18) 0.2360(12) 0.5988(15) 0.095(5) Uani 1 1 d . . .
H27 H 0.3094 0.1801 0.5799 0.115 Uiso 1 1 calc R . .
C28 C 0.2390(15) 0.2708(10) 0.6935(11) 0.069(4) Uani 1 1 d . . .
H28 H 0.2806 0.2396 0.7413 0.083 Uiso 1 1 calc R . .
C29 C 0.1553(16) 0.3557(10) 0.7240(10) 0.075(4) Uani 1 1 d . . .
H29 H 0.1341 0.3777 0.7880 0.090 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
_geom_angle_publ_flag
C5 Ir1 C4 38.9(5) . . ?
C5 Ir1 C1 38.8(5) . . ?
C4 Ir1 C1 67.4(5) . . ?
C5 Ir1 C2 64.7(5) . . ?
C4 Ir1 C2 67.1(5) . . ?
C1 Ir1 C2 40.0(5) . . ?
C5 Ir1 C3 63.9(5) . . ?
C4 Ir1 C3 40.1(5) . . ?
C1 Ir1 C3 65.8(5) . . ?
C2 Ir1 C3 38.5(5) . . ?
C5 Ir1 Cl1 96.3(4) . . ?
C4 Ir1 Cl1 114.5(3) . . ?
C1 Ir1 Cl1 109.5(3) . . ?
C2 Ir1 Cl1 148.5(4) . . ?
C3 Ir1 Cl1 154.5(4) . . ?
C5 Ir1 Cl3 143.6(4) . . ?
C4 Ir1 Cl3 157.9(3) . . ?
C1 Ir1 Cl3 106.1(4) . . ?
C2 Ir1 Cl3 94.1(4) . . ?
C3 Ir1 Cl3 117.9(4) . . ?
Cl1 Ir1 Cl3 87.57(11) . . ?
C5 Ir1 Cl2 133.9(4) . . ?
C4 Ir1 Cl2 97.8(4) . . ?
C1 Ir1 Cl2 159.3(3) . . ?
C2 Ir1 Cl2 121.9(4) . . ?
C3 Ir1 Cl2 93.5(3) . . ?
Cl1 Ir1 Cl2 89.47(10) . . ?
Cl3 Ir1 Cl2 82.13(10) . . ?
C14 Ir2 C13 39.1(5) . . ?
C14 Ir2 C17 66.3(5) . . ?
C13 Ir2 C17 39.7(5) . . ?
C14 Ir2 C15 39.9(5) . . ?
C13 Ir2 C15 66.9(5) . . ?
C17 Ir2 C15 67.3(5) . . ?
C14 Ir2 C16 64.4(4) . . ?
C13 Ir2 C16 64.0(5) . . ?
C17 Ir2 C16 37.9(4) . . ?
C15 Ir2 C16 39.6(4) . . ?
C14 Ir2 Cl4 94.6(4) . . ?
C13 Ir2 Cl4 110.3(4) . . ?
C17 Ir2 Cl4 148.9(4) . . ?
C15 Ir2 Cl4 114.3(3) . . ?
C16 Ir2 Cl4 153.8(3) . . ?
C14 Ir2 Cl2 134.9(4) . . ?
C13 Ir2 Cl2 158.9(4) . . ?
C17 Ir2 Cl2 121.7(4) . . ?
C15 Ir2 Cl2 98.4(4) . . ?
C16 Ir2 Cl2 95.0(3) . . ?
Cl4 Ir2 Cl2 89.25(11) . . ?
C14 Ir2 Cl3 143.0(4) . . ?
C13 Ir2 Cl3 106.0(4) . . ?
C17 Ir2 Cl3 93.8(3) . . ?
C15 Ir2 Cl3 158.2(3) . . ?
C16 Ir2 Cl3 118.6(3) . . ?
Cl4 Ir2 Cl3 87.54(11) . . ?
Cl2 Ir2 Cl3 81.96(10) . . ?
Ir2 Cl2 Ir1 97.98(11) . . ?
Ir1 Cl3 Ir2 97.91(11) . . ?
C11 O1 C6 108.9(15) . . ?
C18 O2 C23 110.2(14) . . ?
C5 C1 C2 103.6(13) . . ?
C5 C1 C6 132.5(14) . . ?
C2 C1 C6 123.9(13) . . ?
C5 C1 Ir1 66.8(9) . . ?
C2 C1 Ir1 70.8(7) . . ?
C6 C1 Ir1 126.6(9) . . ?
C3 C2 C1 107.7(12) . . ?
C3 C2 C7 125.0(13) . . ?
C1 C2 C7 127.3(13) . . ?
C3 C2 Ir1 71.2(7) . . ?
C1 C2 Ir1 69.2(7) . . ?
C7 C2 Ir1 126.5(9) . . ?
C2 C3 C4 109.2(11) . . ?
C2 C3 C8 124.7(13) . . ?
C4 C3 C8 126.1(13) . . ?
C2 C3 Ir1 70.3(7) . . ?
C4 C3 Ir1 68.0(7) . . ?
C8 C3 Ir1 128.2(10) . . ?
C5 C4 C3 102.9(13) . . ?
C5 C4 C9 130.0(14) . . ?
C3 C4 C9 127.0(12) . . ?
C5 C4 Ir1 67.6(9) . . ?
C3 C4 Ir1 72.0(7) . . ?
C9 C4 Ir1 127.0(9) . . ?
C4 C5 C1 116.5(16) . . ?
C4 C5 C10 121.4(14) . . ?
C1 C5 C10 121.7(14) . . ?
C4 C5 Ir1 73.5(10) . . ?
C1 C5 Ir1 74.4(10) . . ?
C10 C5 Ir1 127.4(7) . . ?
O1 C6 C1 108.7(11) . . ?
O1 C6 H6A 110.0 . . ?
C1 C6 H6A 110.0 . . ?
O1 C6 H6B 110.0 . . ?
C1 C6 H6B 110.0 . . ?
H6A C6 H6B 108.3 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C13 C17 108.4(13) . . ?
C14 C13 C18 126.3(14) . . ?
C17 C13 C18 125.3(14) . . ?
C14 C13 Ir2 69.9(9) . . ?
C17 C13 Ir2 70.9(7) . . ?
C18 C13 Ir2 124.5(9) . . ?
C13 C14 C15 110.7(14) . . ?
C13 C14 C19 126.1(13) . . ?
C15 C14 C19 123.0(14) . . ?
C13 C14 Ir2 71.0(9) . . ?
C15 C14 Ir2 72.5(8) . . ?
C19 C14 Ir2 127.6(8) . . ?
C20 C15 C14 129.4(13) . . ?
C20 C15 C16 128.0(13) . . ?
C14 C15 C16 102.2(12) . . ?
C20 C15 Ir2 130.0(9) . . ?
C14 C15 Ir2 67.6(7) . . ?
C16 C15 Ir2 70.3(6) . . ?
C17 C16 C15 112.5(10) . . ?
C17 C16 C21 126.5(10) . . ?
C15 C16 C21 120.8(11) . . ?
C17 C16 Ir2 69.7(6) . . ?
C15 C16 Ir2 70.1(6) . . ?
C21 C16 Ir2 124.4(7) . . ?
C16 C17 C13 106.0(10) . . ?
C16 C17 C22 126.1(11) . . ?
C13 C17 C22 127.7(13) . . ?
C16 C17 Ir2 72.4(6) . . ?
C13 C17 Ir2 69.4(7) . . ?
C22 C17 Ir2 127.3(9) . . ?
O2 C18 C13 106.3(12) . . ?
O2 C18 H18A 110.5 . . ?
C13 C18 H18A 110.5 . . ?
O2 C18 H18B 110.5 . . ?
C13 C18 H18B 110.5 . . ?
H18A C18 H18B 108.7 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C29 123.4(15) . . ?
C25 C24 I1 120.2(11) . . ?
C29 C24 I1 116.4(11) . . ?
C24 C25 C26 119.2(16) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C27 C26 C25 124.2(17) . . ?
C27 C26 H26 117.9 . . ?
C25 C26 H26 117.9 . . ?
C26 C27 C28 117.8(15) . . ?
C26 C27 H27 121.1 . . ?
C28 C27 H27 121.1 . . ?
C27 C28 C29 122.1(14) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
C24 C29 C28 113.1(12) . . ?
C24 C29 H29 123.4 . . ?
C28 C29 H29 123.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 C5 2.021(18) . ?
Ir1 C4 2.095(12) . ?
Ir1 C1 2.117(13) . ?
Ir1 C2 2.138(12) . ?
Ir1 C3 2.150(12) . ?
Ir1 Cl1 2.422(3) . ?
Ir1 Cl3 2.454(3) . ?
Ir1 Cl2 2.463(3) . ?
Ir2 C14 2.096(15) . ?
Ir2 C13 2.109(15) . ?
Ir2 C17 2.130(12) . ?
Ir2 C15 2.161(11) . ?
Ir2 C16 2.164(9) . ?
Ir2 Cl4 2.399(3) . ?
Ir2 Cl2 2.457(3) . ?
Ir2 Cl3 2.469(3) . ?
I1 C24 2.103(15) . ?
O1 C11 1.36(2) . ?
O1 C6 1.387(15) . ?
O2 C18 1.408(17) . ?
O2 C23 1.45(2) . ?
C1 C5 1.38(2) . ?
C1 C2 1.456(17) . ?
C1 C6 1.485(18) . ?
C2 C3 1.415(18) . ?
C2 C7 1.505(18) . ?
C3 C4 1.455(18) . ?
C3 C8 1.537(17) . ?
C4 C5 1.371(19) . ?
C4 C9 1.489(19) . ?
C5 C10 1.64(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.41(2) . ?
C13 C17 1.441(17) . ?
C13 C18 1.50(2) . ?
C14 C15 1.454(19) . ?
C14 C19 1.551(19) . ?
C15 C20 1.435(19) . ?
C15 C16 1.464(15) . ?
C16 C17 1.393(16) . ?
C16 C21 1.548(16) . ?
C17 C22 1.500(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.35(2) . ?
C24 C29 1.411(19) . ?
C25 C26 1.35(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.35(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.37(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.481(18) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 Ir2 Cl2 Ir1 -177.9(5) . . . . ?
C13 Ir2 Cl2 Ir1 -115.3(11) . . . . ?
C17 Ir2 Cl2 Ir1 -90.9(4) . . . . ?
C15 Ir2 Cl2 Ir1 -159.3(3) . . . . ?
C16 Ir2 Cl2 Ir1 -119.6(3) . . . . ?
Cl4 Ir2 Cl2 Ir1 86.29(12) . . . . ?
Cl3 Ir2 Cl2 Ir1 -1.33(10) . . . . ?
C5 Ir1 Cl2 Ir2 -172.8(6) . . . . ?
C4 Ir1 Cl2 Ir2 -156.4(3) . . . . ?
C1 Ir1 Cl2 Ir2 -113.8(12) . . . . ?
C2 Ir1 Cl2 Ir2 -88.6(4) . . . . ?
C3 Ir1 Cl2 Ir2 -116.4(4) . . . . ?
Cl1 Ir1 Cl2 Ir2 88.96(12) . . . . ?
Cl3 Ir1 Cl2 Ir2 1.34(10) . . . . ?
C5 Ir1 Cl3 Ir2 171.6(7) . . . . ?
C4 Ir1 Cl3 Ir2 90.0(9) . . . . ?
C1 Ir1 Cl3 Ir2 159.2(3) . . . . ?
C2 Ir1 Cl3 Ir2 120.4(4) . . . . ?
C3 Ir1 Cl3 Ir2 88.5(4) . . . . ?
Cl1 Ir1 Cl3 Ir2 -91.13(12) . . . . ?
Cl2 Ir1 Cl3 Ir2 -1.33(10) . . . . ?
C14 Ir2 Cl3 Ir1 177.3(6) . . . . ?
C13 Ir2 Cl3 Ir1 161.4(4) . . . . ?
C17 Ir2 Cl3 Ir1 122.9(4) . . . . ?
C15 Ir2 Cl3 Ir1 94.0(10) . . . . ?
C16 Ir2 Cl3 Ir1 92.7(4) . . . . ?
Cl4 Ir2 Cl3 Ir1 -88.26(12) . . . . ?
Cl2 Ir2 Cl3 Ir1 1.33(10) . . . . ?
C4 Ir1 C1 C5 -34.0(8) . . . . ?
C2 Ir1 C1 C5 -114.9(12) . . . . ?
C3 Ir1 C1 C5 -77.8(9) . . . . ?
Cl1 Ir1 C1 C5 75.1(8) . . . . ?
Cl3 Ir1 C1 C5 168.3(7) . . . . ?
Cl2 Ir1 C1 C5 -80.6(14) . . . . ?
C5 Ir1 C1 C2 114.9(12) . . . . ?
C4 Ir1 C1 C2 80.8(8) . . . . ?
C3 Ir1 C1 C2 37.0(8) . . . . ?
Cl1 Ir1 C1 C2 -170.0(7) . . . . ?
Cl3 Ir1 C1 C2 -76.8(8) . . . . ?
Cl2 Ir1 C1 C2 34.3(16) . . . . ?
C5 Ir1 C1 C6 -126.6(16) . . . . ?
C4 Ir1 C1 C6 -160.7(14) . . . . ?
C2 Ir1 C1 C6 118.5(16) . . . . ?
C3 Ir1 C1 C6 155.5(14) . . . . ?
Cl1 Ir1 C1 C6 -51.5(13) . . . . ?
Cl3 Ir1 C1 C6 41.7(13) . . . . ?
Cl2 Ir1 C1 C6 152.7(9) . . . . ?
C5 C1 C2 C3 -2.0(14) . . . . ?
C6 C1 C2 C3 177.1(11) . . . . ?
Ir1 C1 C2 C3 -61.1(9) . . . . ?
C5 C1 C2 C7 179.9(12) . . . . ?
C6 C1 C2 C7 -1(2) . . . . ?
Ir1 C1 C2 C7 120.7(13) . . . . ?
C5 C1 C2 Ir1 59.1(8) . . . . ?
C6 C1 C2 Ir1 -121.7(12) . . . . ?
C5 Ir1 C2 C3 79.2(9) . . . . ?
C4 Ir1 C2 C3 36.6(8) . . . . ?
C1 Ir1 C2 C3 118.2(11) . . . . ?
Cl1 Ir1 C2 C3 136.4(8) . . . . ?
Cl3 Ir1 C2 C3 -131.5(7) . . . . ?
Cl2 Ir1 C2 C3 -48.3(9) . . . . ?
C5 Ir1 C2 C1 -39.0(8) . . . . ?
C4 Ir1 C2 C1 -81.6(8) . . . . ?
C3 Ir1 C2 C1 -118.2(11) . . . . ?
Cl1 Ir1 C2 C1 18.3(12) . . . . ?
Cl3 Ir1 C2 C1 110.3(8) . . . . ?
Cl2 Ir1 C2 C1 -166.5(7) . . . . ?
C5 Ir1 C2 C7 -160.7(15) . . . . ?
C4 Ir1 C2 C7 156.6(14) . . . . ?
C1 Ir1 C2 C7 -121.8(16) . . . . ?
C3 Ir1 C2 C7 120.1(16) . . . . ?
Cl1 Ir1 C2 C7 -103.5(13) . . . . ?
Cl3 Ir1 C2 C7 -11.5(13) . . . . ?
Cl2 Ir1 C2 C7 71.8(14) . . . . ?
C1 C2 C3 C4 3.1(14) . . . . ?
C7 C2 C3 C4 -178.8(12) . . . . ?
Ir1 C2 C3 C4 -56.8(8) . . . . ?
C1 C2 C3 C8 -176.7(12) . . . . ?
C7 C2 C3 C8 1(2) . . . . ?
Ir1 C2 C3 C8 123.4(13) . . . . ?
C1 C2 C3 Ir1 59.9(8) . . . . ?
C7 C2 C3 Ir1 -121.9(13) . . . . ?
C5 Ir1 C3 C2 -81.4(9) . . . . ?
C4 Ir1 C3 C2 -121.5(11) . . . . ?
C1 Ir1 C3 C2 -38.4(8) . . . . ?
Cl1 Ir1 C3 C2 -123.2(9) . . . . ?
Cl3 Ir1 C3 C2 57.6(8) . . . . ?
Cl2 Ir1 C3 C2 140.6(7) . . . . ?
C5 Ir1 C3 C4 40.1(8) . . . . ?
C1 Ir1 C3 C4 83.1(8) . . . . ?
C2 Ir1 C3 C4 121.5(11) . . . . ?
Cl1 Ir1 C3 C4 -1.7(13) . . . . ?
Cl3 Ir1 C3 C4 179.2(6) . . . . ?
Cl2 Ir1 C3 C4 -97.9(7) . . . . ?
C5 Ir1 C3 C8 159.5(15) . . . . ?
C4 Ir1 C3 C8 119.4(16) . . . . ?
C1 Ir1 C3 C8 -157.6(15) . . . . ?
C2 Ir1 C3 C8 -119.1(17) . . . . ?
Cl1 Ir1 C3 C8 117.7(13) . . . . ?
Cl3 Ir1 C3 C8 -61.5(14) . . . . ?
Cl2 Ir1 C3 C8 21.5(13) . . . . ?
C2 C3 C4 C5 -2.8(13) . . . . ?
C8 C3 C4 C5 177.0(13) . . . . ?
Ir1 C3 C4 C5 -61.0(8) . . . . ?
C2 C3 C4 C9 -178.6(12) . . . . ?
C8 C3 C4 C9 1(2) . . . . ?
Ir1 C3 C4 C9 123.2(13) . . . . ?
C2 C3 C4 Ir1 58.2(9) . . . . ?
C8 C3 C4 Ir1 -122.0(13) . . . . ?
C1 Ir1 C4 C5 34.0(8) . . . . ?
C2 Ir1 C4 C5 77.5(9) . . . . ?
C3 Ir1 C4 C5 112.8(11) . . . . ?
Cl1 Ir1 C4 C5 -68.0(9) . . . . ?
Cl3 Ir1 C4 C5 110.8(11) . . . . ?
Cl2 Ir1 C4 C5 -161.0(8) . . . . ?
C5 Ir1 C4 C3 -112.8(11) . . . . ?
C1 Ir1 C4 C3 -78.8(8) . . . . ?
C2 Ir1 C4 C3 -35.2(7) . . . . ?
Cl1 Ir1 C4 C3 179.2(6) . . . . ?
Cl3 Ir1 C4 C3 -2.0(14) . . . . ?
Cl2 Ir1 C4 C3 86.2(7) . . . . ?
C5 Ir1 C4 C9 124.1(15) . . . . ?
C1 Ir1 C4 C9 158.0(13) . . . . ?
C2 Ir1 C4 C9 -158.4(14) . . . . ?
C3 Ir1 C4 C9 -123.2(15) . . . . ?
Cl1 Ir1 C4 C9 56.0(13) . . . . ?
Cl3 Ir1 C4 C9 -125.2(11) . . . . ?
Cl2 Ir1 C4 C9 -37.0(12) . . . . ?
C3 C4 C5 C1 1.6(14) . . . . ?
C9 C4 C5 C1 177.2(13) . . . . ?
Ir1 C4 C5 C1 -62.5(11) . . . . ?
C3 C4 C5 C10 -171.8(10) . . . . ?
C9 C4 C5 C10 4(2) . . . . ?
Ir1 C4 C5 C10 124.1(10) . . . . ?
C3 C4 C5 Ir1 64.1(8) . . . . ?
C9 C4 C5 Ir1 -120.3(14) . . . . ?
C2 C1 C5 C4 0.2(15) . . . . ?
C6 C1 C5 C4 -178.8(12) . . . . ?
Ir1 C1 C5 C4 62.0(11) . . . . ?
C2 C1 C5 C10 173.6(10) . . . . ?
C6 C1 C5 C10 -5(2) . . . . ?
Ir1 C1 C5 C10 -124.6(10) . . . . ?
C2 C1 C5 Ir1 -61.8(8) . . . . ?
C6 C1 C5 Ir1 119.2(14) . . . . ?
C1 Ir1 C5 C4 -124.5(12) . . . . ?
C2 Ir1 C5 C4 -84.3(9) . . . . ?
C3 Ir1 C5 C4 -41.4(8) . . . . ?
Cl1 Ir1 C5 C4 121.9(8) . . . . ?
Cl3 Ir1 C5 C4 -143.7(6) . . . . ?
Cl2 Ir1 C5 C4 26.6(11) . . . . ?
C4 Ir1 C5 C1 124.5(12) . . . . ?
C2 Ir1 C5 C1 40.2(8) . . . . ?
C3 Ir1 C5 C1 83.2(9) . . . . ?
Cl1 Ir1 C5 C1 -113.6(8) . . . . ?
Cl3 Ir1 C5 C1 -19.2(12) . . . . ?
Cl2 Ir1 C5 C1 151.1(6) . . . . ?
C4 Ir1 C5 C10 -117.3(16) . . . . ?
C1 Ir1 C5 C10 118.2(16) . . . . ?
C2 Ir1 C5 C10 158.4(14) . . . . ?
C3 Ir1 C5 C10 -158.6(14) . . . . ?
Cl1 Ir1 C5 C10 4.6(13) . . . . ?
Cl3 Ir1 C5 C10 99.0(13) . . . . ?
Cl2 Ir1 C5 C10 -90.7(13) . . . . ?
C11 O1 C6 C1 178.5(13) . . . . ?
C5 C1 C6 O1 85.1(18) . . . . ?
C2 C1 C6 O1 -93.7(16) . . . . ?
Ir1 C1 C6 O1 176.0(9) . . . . ?
C17 Ir2 C13 C14 -118.8(11) . . . . ?
C15 Ir2 C13 C14 -37.1(7) . . . . ?
C16 Ir2 C13 C14 -80.7(8) . . . . ?
Cl4 Ir2 C13 C14 71.5(8) . . . . ?
Cl2 Ir2 C13 C14 -85.4(13) . . . . ?
Cl3 Ir2 C13 C14 164.8(7) . . . . ?
C14 Ir2 C13 C17 118.8(11) . . . . ?
C15 Ir2 C13 C17 81.7(7) . . . . ?
C16 Ir2 C13 C17 38.1(6) . . . . ?
Cl4 Ir2 C13 C17 -169.7(6) . . . . ?
Cl2 Ir2 C13 C17 33.4(15) . . . . ?
Cl3 Ir2 C13 C17 -76.4(7) . . . . ?
C14 Ir2 C13 C18 -120.9(16) . . . . ?
C17 Ir2 C13 C18 120.3(16) . . . . ?
C15 Ir2 C13 C18 -158.0(14) . . . . ?
C16 Ir2 C13 C18 158.4(15) . . . . ?
Cl4 Ir2 C13 C18 -49.4(14) . . . . ?
Cl2 Ir2 C13 C18 153.7(10) . . . . ?
Cl3 Ir2 C13 C18 43.9(13) . . . . ?
C17 C13 C14 C15 1.1(14) . . . . ?
C18 C13 C14 C15 -179.5(12) . . . . ?
Ir2 C13 C14 C15 61.9(9) . . . . ?
C17 C13 C14 C19 176.1(11) . . . . ?
C18 C13 C14 C19 -5(2) . . . . ?
Ir2 C13 C14 C19 -123.1(12) . . . . ?
C17 C13 C14 Ir2 -60.7(9) . . . . ?
C18 C13 C14 Ir2 118.6(13) . . . . ?
C17 Ir2 C14 C13 37.7(8) . . . . ?
C15 Ir2 C14 C13 120.1(11) . . . . ?
C16 Ir2 C14 C13 79.5(8) . . . . ?
Cl4 Ir2 C14 C13 -116.8(7) . . . . ?
Cl2 Ir2 C14 C13 149.6(6) . . . . ?
Cl3 Ir2 C14 C13 -24.8(11) . . . . ?
C13 Ir2 C14 C15 -120.1(11) . . . . ?
C17 Ir2 C14 C15 -82.4(8) . . . . ?
C16 Ir2 C14 C15 -40.6(7) . . . . ?
Cl4 Ir2 C14 C15 123.1(7) . . . . ?
Cl2 Ir2 C14 C15 29.5(10) . . . . ?
Cl3 Ir2 C14 C15 -144.9(6) . . . . ?
C13 Ir2 C14 C19 121.4(16) . . . . ?
C17 Ir2 C14 C19 159.1(15) . . . . ?
C15 Ir2 C14 C19 -118.5(17) . . . . ?
C16 Ir2 C14 C19 -159.1(15) . . . . ?
Cl4 Ir2 C14 C19 4.6(14) . . . . ?
Cl2 Ir2 C14 C19 -89.0(13) . . . . ?
Cl3 Ir2 C14 C19 96.6(14) . . . . ?
C13 C14 C15 C20 174.8(12) . . . . ?
C19 C14 C15 C20 -0.3(19) . . . . ?
Ir2 C14 C15 C20 -124.2(13) . . . . ?
C13 C14 C15 C16 1.5(13) . . . . ?
C19 C14 C15 C16 -173.6(10) . . . . ?
Ir2 C14 C15 C16 62.5(7) . . . . ?
C13 C14 C15 Ir2 -61.0(9) . . . . ?
C19 C14 C15 Ir2 123.9(11) . . . . ?
C14 Ir2 C15 C20 123.4(16) . . . . ?
C13 Ir2 C15 C20 159.8(14) . . . . ?
C17 Ir2 C15 C20 -156.9(14) . . . . ?
C16 Ir2 C15 C20 -123.6(16) . . . . ?
Cl4 Ir2 C15 C20 57.1(14) . . . . ?
Cl2 Ir2 C15 C20 -35.9(13) . . . . ?
Cl3 Ir2 C15 C20 -125.4(12) . . . . ?
C13 Ir2 C15 C14 36.4(8) . . . . ?
C17 Ir2 C15 C14 79.7(9) . . . . ?
C16 Ir2 C15 C14 112.9(11) . . . . ?
Cl4 Ir2 C15 C14 -66.3(8) . . . . ?
Cl2 Ir2 C15 C14 -159.3(7) . . . . ?
Cl3 Ir2 C15 C14 111.2(11) . . . . ?
C14 Ir2 C15 C16 -112.9(11) . . . . ?
C13 Ir2 C15 C16 -76.5(7) . . . . ?
C17 Ir2 C15 C16 -33.2(7) . . . . ?
Cl4 Ir2 C15 C16 -179.3(6) . . . . ?
Cl2 Ir2 C15 C16 87.7(7) . . . . ?
Cl3 Ir2 C15 C16 -1.7(15) . . . . ?
C20 C15 C16 C17 -177.3(12) . . . . ?
C14 C15 C16 C17 -3.9(12) . . . . ?
Ir2 C15 C16 C17 56.7(8) . . . . ?
C20 C15 C16 C21 7.1(17) . . . . ?
C14 C15 C16 C21 -179.5(9) . . . . ?
Ir2 C15 C16 C21 -118.9(9) . . . . ?
C20 C15 C16 Ir2 126.0(13) . . . . ?
C14 C15 C16 Ir2 -60.6(7) . . . . ?
C14 Ir2 C16 C17 -83.6(8) . . . . ?
C13 Ir2 C16 C17 -40.0(7) . . . . ?
C15 Ir2 C16 C17 -124.5(10) . . . . ?
Cl4 Ir2 C16 C17 -123.1(7) . . . . ?
Cl2 Ir2 C16 C17 138.3(6) . . . . ?
Cl3 Ir2 C16 C17 54.7(7) . . . . ?
C14 Ir2 C16 C15 40.9(8) . . . . ?
C13 Ir2 C16 C15 84.5(8) . . . . ?
C17 Ir2 C16 C15 124.5(10) . . . . ?
Cl4 Ir2 C16 C15 1.5(12) . . . . ?
Cl2 Ir2 C16 C15 -97.1(7) . . . . ?
Cl3 Ir2 C16 C15 179.3(6) . . . . ?
C14 Ir2 C16 C21 155.3(11) . . . . ?
C13 Ir2 C16 C21 -161.1(11) . . . . ?
C17 Ir2 C16 C21 -121.1(11) . . . . ?
C15 Ir2 C16 C21 114.4(12) . . . . ?
Cl4 Ir2 C16 C21 115.8(9) . . . . ?
Cl2 Ir2 C16 C21 17.2(9) . . . . ?
Cl3 Ir2 C16 C21 -66.4(10) . . . . ?
C15 C16 C17 C13 4.7(13) . . . . ?
C21 C16 C17 C13 180.0(10) . . . . ?
Ir2 C16 C17 C13 61.6(8) . . . . ?
C15 C16 C17 C22 179.3(11) . . . . ?
C21 C16 C17 C22 -5.4(18) . . . . ?
Ir2 C16 C17 C22 -123.8(12) . . . . ?
C15 C16 C17 Ir2 -56.9(8) . . . . ?
C21 C16 C17 Ir2 118.4(10) . . . . ?
C14 C13 C17 C16 -3.5(13) . . . . ?
C18 C13 C17 C16 177.1(12) . . . . ?
Ir2 C13 C17 C16 -63.6(8) . . . . ?
C14 C13 C17 C22 -178.0(12) . . . . ?
C18 C13 C17 C22 3(2) . . . . ?
Ir2 C13 C17 C22 121.9(13) . . . . ?
C14 C13 C17 Ir2 60.1(9) . . . . ?
C18 C13 C17 Ir2 -119.2(13) . . . . ?
C14 Ir2 C17 C16 78.3(7) . . . . ?
C13 Ir2 C17 C16 115.4(10) . . . . ?
C15 Ir2 C17 C16 34.7(6) . . . . ?
Cl4 Ir2 C17 C16 134.3(6) . . . . ?
Cl2 Ir2 C17 C16 -51.2(7) . . . . ?
Cl3 Ir2 C17 C16 -134.1(6) . . . . ?
C14 Ir2 C17 C13 -37.1(7) . . . . ?
C15 Ir2 C17 C13 -80.7(8) . . . . ?
C16 Ir2 C17 C13 -115.4(10) . . . . ?
Cl4 Ir2 C17 C13 18.9(11) . . . . ?
Cl2 Ir2 C17 C13 -166.6(6) . . . . ?
Cl3 Ir2 C17 C13 110.5(7) . . . . ?
C14 Ir2 C17 C22 -159.4(14) . . . . ?
C13 Ir2 C17 C22 -122.3(15) . . . . ?
C15 Ir2 C17 C22 157.0(14) . . . . ?
C16 Ir2 C17 C22 122.4(15) . . . . ?
Cl4 Ir2 C17 C22 -103.3(12) . . . . ?
Cl2 Ir2 C17 C22 71.2(13) . . . . ?
Cl3 Ir2 C17 C22 -11.7(12) . . . . ?
C23 O2 C18 C13 -179.5(13) . . . . ?
C14 C13 C18 O2 84.3(17) . . . . ?
C17 C13 C18 O2 -96.4(17) . . . . ?
Ir2 C13 C18 O2 173.6(9) . . . . ?
C29 C24 C25 C26 -4(2) . . . . ?
I1 C24 C25 C26 179.3(11) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
C26 C27 C28 C29 2(2) . . . . ?
C25 C24 C29 C28 5.5(19) . . . . ?
I1 C24 C29 C28 -177.4(8) . . . . ?
C27 C28 C29 C24 -4.6(18) . . . . ?
