#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:14:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179745 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/41/7004168.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_7004168
loop_
_publ_author_name
'Acha, Francisco'
'Ciganda, Roberto'
'Garralda, María A.'
'Hernández, Ricardo'
'Ibarlucea, Lourdes'
'Pinilla, Elena'
'Torres, M. Rosario'
_publ_section_title
;
 Reactivity of hydridoirida-β-diketones with bases: the selective
 formation of new di-μ-acyl-μ-hydridodiiridium(iii) or
 dihydridoirida-β-diketone complexes and heterometallic Ir(iii)--Rh(i)
 derivatives
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              4602
_journal_paper_doi               10.1039/b803488e
_journal_year                    2008
_chemical_formula_moiety         'C76 H57 Ir2 O4 P4, Cl O4, C H Cl3'
_chemical_formula_sum            'C77 H58 Cl4 Ir2 O8 P4'
_chemical_formula_weight         1761.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                92.2000(10)
_cell_angle_beta                 103.9520(10)
_cell_angle_gamma                96.6120(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3375(8)
_cell_length_b                   15.6694(10)
_cell_length_c                   18.6401(12)
_cell_measurement_temperature    296(2)
_cell_volume                     3465.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0943
_diffrn_reflns_av_sigmaI/netI    0.0958
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    4.140
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.978
_refine_diff_density_min         -1.949
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     836
_refine_ls_number_reflns         11888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0541P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                8363
_reflns_number_total             11888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b803488e.txt
_cod_data_source_block           '[8]ClO4'
_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_sg_symbol_H-M      P-1
_cod_database_code               7004168
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 0.87483(2) 0.701131(18) 0.695045(16) 0.02763(10) Uani 1 1 d . . .
Ir2 Ir 0.90799(2) 0.889279(18) 0.732821(16) 0.02722(10) Uani 1 1 d . . .
H1 H 0.9651 0.7946 0.7373 0.050 Uiso 1 1 d . . .
C1 C 0.8013(6) 0.7668(5) 0.6091(4) 0.0324(18) Uani 1 1 d . . .
O1 O 0.8176(4) 0.8483(3) 0.6134(3) 0.0323(12) Uani 1 1 d . . .
P1 P 0.73409(17) 0.59588(13) 0.63402(12) 0.0336(5) Uani 1 1 d . . .
C2 C 0.7294(6) 0.7231(5) 0.5399(5) 0.0358(19) Uani 1 1 d . . .
O2 O 0.9747(5) 0.6698(4) 0.5713(3) 0.0454(15) Uani 1 1 d . . .
P2 P 0.98351(17) 0.63245(13) 0.79247(12) 0.0333(5) Uani 1 1 d . . .
C3 C 0.6955(6) 0.6339(5) 0.5434(5) 0.040(2) Uani 1 1 d . . .
O3 O 0.9496(5) 0.8649(4) 0.8884(3) 0.0566(17) Uani 1 1 d . . .
P3 P 1.07952(16) 0.96776(13) 0.71936(11) 0.0308(5) Uani 1 1 d . . .
C4 C 0.6315(7) 0.5881(6) 0.4781(5) 0.047(2) Uani 1 1 d . . .
H4A H 0.6089 0.5295 0.4789 0.056 Uiso 1 1 calc R . .
O4 O 0.7606(4) 0.7437(3) 0.7579(3) 0.0387(14) Uani 1 1 d . . .
P4 P 0.80961(17) 1.00293(13) 0.74498(12) 0.0318(5) Uani 1 1 d . . .
C5 C 0.6018(8) 0.6265(7) 0.4140(5) 0.058(3) Uani 1 1 d . . .
H5A H 0.5605 0.5941 0.3713 0.069 Uiso 1 1 calc R . .
C6 C 0.6322(8) 0.7137(7) 0.4115(5) 0.058(3) Uani 1 1 d . . .
H6A H 0.6105 0.7399 0.3673 0.070 Uiso 1 1 calc R . .
C7 C 0.6943(7) 0.7616(6) 0.4739(5) 0.047(2) Uani 1 1 d . . .
H7A H 0.7132 0.8206 0.4721 0.057 Uiso 1 1 calc R . .
C8 C 0.7515(6) 0.4844(5) 0.6190(5) 0.041(2) Uani 1 1 d . . .
C9 C 0.8168(7) 0.4616(5) 0.5710(5) 0.044(2) Uani 1 1 d . . .
H9A H 0.8486 0.5045 0.5464 0.053 Uiso 1 1 calc R . .
C10 C 0.8355(8) 0.3777(6) 0.5589(5) 0.052(2) Uani 1 1 d . . .
H10A H 0.8826 0.3650 0.5289 0.062 Uiso 1 1 calc R . .
C11 C 0.7840(9) 0.3127(6) 0.5917(6) 0.061(3) Uani 1 1 d . . .
H11A H 0.7919 0.2555 0.5814 0.073 Uiso 1 1 calc R . .
C12 C 0.7209(9) 0.3336(6) 0.6396(6) 0.062(3) Uani 1 1 d . . .
H12A H 0.6883 0.2897 0.6628 0.074 Uiso 1 1 calc R . .
C13 C 0.7040(7) 0.4178(5) 0.6549(5) 0.046(2) Uani 1 1 d . . .
H13A H 0.6618 0.4300 0.6883 0.055 Uiso 1 1 calc R . .
C14 C 0.6082(7) 0.5938(5) 0.6701(5) 0.040(2) Uani 1 1 d . . .
C15 C 0.5062(7) 0.6131(5) 0.6260(6) 0.054(3) Uani 1 1 d . . .
H15A H 0.5006 0.6260 0.5771 0.065 Uiso 1 1 calc R . .
C16 C 0.4135(9) 0.6127(7) 0.6560(8) 0.079(4) Uani 1 1 d . . .
H16A H 0.3455 0.6254 0.6269 0.095 Uiso 1 1 calc R . .
C17 C 0.4215(9) 0.5937(7) 0.7283(9) 0.084(4) Uani 1 1 d . . .
H17A H 0.3586 0.5930 0.7475 0.100 Uiso 1 1 calc R . .
C18 C 0.5227(9) 0.5756(7) 0.7730(7) 0.070(3) Uani 1 1 d . . .
H18A H 0.5285 0.5634 0.8221 0.084 Uiso 1 1 calc R . .
C19 C 0.6148(8) 0.5761(6) 0.7424(6) 0.054(3) Uani 1 1 d . . .
H19A H 0.6830 0.5640 0.7718 0.065 Uiso 1 1 calc R . .
C20 C 0.9723(6) 0.6530(5) 0.6356(5) 0.0357(19) Uani 1 1 d . . .
C21 C 1.0425(6) 0.5823(5) 0.6685(4) 0.0335(19) Uani 1 1 d . . .
C22 C 1.0508(7) 0.5619(5) 0.7408(5) 0.040(2) Uani 1 1 d . . .
C23 C 1.1136(7) 0.4982(6) 0.7714(6) 0.052(2) Uani 1 1 d . . .
H23A H 1.1220 0.4872 0.8210 0.063 Uiso 1 1 calc R . .
C24 C 1.1634(8) 0.4513(6) 0.7265(6) 0.056(3) Uani 1 1 d . . .
H24A H 1.2028 0.4067 0.7454 0.067 Uiso 1 1 calc R . .
C25 C 1.1548(8) 0.4703(6) 0.6542(7) 0.060(3) Uani 1 1 d . . .
H25A H 1.1899 0.4393 0.6249 0.072 Uiso 1 1 calc R . .
C26 C 1.0946(7) 0.5350(6) 0.6247(5) 0.047(2) Uani 1 1 d . . .
H26A H 1.0889 0.5472 0.5756 0.057 Uiso 1 1 calc R . .
C27 C 1.1038(7) 0.6932(5) 0.8584(5) 0.0363(19) Uani 1 1 d . . .
C28 C 1.1327(8) 0.6816(6) 0.9320(5) 0.058(3) Uani 1 1 d . . .
H28A H 1.0888 0.6410 0.9515 0.069 Uiso 1 1 calc R . .
C29 C 1.2280(10) 0.7301(8) 0.9794(6) 0.080(4) Uani 1 1 d . . .
H29A H 1.2475 0.7211 1.0297 0.096 Uiso 1 1 calc R . .
C30 C 1.2913(8) 0.7904(8) 0.9506(7) 0.072(3) Uani 1 1 d . . .
H30A H 1.3535 0.8233 0.9819 0.087 Uiso 1 1 calc R . .
C31 C 1.2654(8) 0.8034(7) 0.8771(6) 0.066(3) Uani 1 1 d . . .
H31A H 1.3094 0.8443 0.8579 0.079 Uiso 1 1 calc R . .
C32 C 1.1714(7) 0.7541(6) 0.8312(5) 0.056(3) Uani 1 1 d . . .
H32A H 1.1534 0.7623 0.7807 0.067 Uiso 1 1 calc R . .
C33 C 0.9061(7) 0.5689(5) 0.8480(5) 0.038(2) Uani 1 1 d . . .
C34 C 0.8741(8) 0.4815(6) 0.8334(5) 0.050(2) Uani 1 1 d . . .
H34A H 0.9015 0.4517 0.7989 0.060 Uiso 1 1 calc R . .
C35 C 0.8010(10) 0.4376(7) 0.8698(7) 0.071(3) Uani 1 1 d . . .
H35A H 0.7779 0.3789 0.8589 0.086 Uiso 1 1 calc R . .
C36 C 0.7635(10) 0.4815(8) 0.9218(7) 0.084(4) Uani 1 1 d . . .
H36A H 0.7158 0.4522 0.9469 0.101 Uiso 1 1 calc R . .
C37 C 0.7955(10) 0.5687(8) 0.9374(7) 0.076(3) Uani 1 1 d . . .
H37A H 0.7707 0.5982 0.9735 0.091 Uiso 1 1 calc R . .
C39 C 0.9864(6) 0.9040(5) 0.8421(4) 0.0318(18) Uani 1 1 d . . .
C38 C 0.8643(8) 0.6113(6) 0.8992(5) 0.055(3) Uani 1 1 d . . .
H39A H 0.8832 0.6706 0.9080 0.066 Uiso 1 1 calc R . .
C40 C 1.0943(7) 0.9642(5) 0.8661(4) 0.038(2) Uani 1 1 d . . .
C41 C 1.1469(7) 1.0020(5) 0.8158(4) 0.0359(19) Uani 1 1 d . . .
C42 C 1.2445(7) 1.0609(6) 0.8405(5) 0.052(2) Uani 1 1 d . . .
H42A H 1.2797 1.0868 0.8066 0.063 Uiso 1 1 calc R . .
C43 C 1.2880(9) 1.0802(7) 0.9154(6) 0.070(3) Uani 1 1 d . . .
H43A H 1.3534 1.1187 0.9323 0.084 Uiso 1 1 calc R . .
C44 C 1.2339(10) 1.0418(7) 0.9658(6) 0.076(4) Uani 1 1 d . . .
H44A H 1.2625 1.0561 1.0162 0.092 Uiso 1 1 calc R . .
C45 C 1.1408(9) 0.9844(7) 0.9423(5) 0.062(3) Uani 1 1 d . . .
H45A H 1.1071 0.9578 0.9767 0.074 Uiso 1 1 calc R . .
C46 C 1.0782(6) 1.0652(5) 0.6675(5) 0.036(2) Uani 1 1 d . . .
C47 C 1.0697(9) 1.0569(6) 0.5928(6) 0.059(3) Uani 1 1 d . . .
H47A H 1.0691 1.0027 0.5703 0.071 Uiso 1 1 calc R . .
C48 C 1.0622(10) 1.1269(8) 0.5505(6) 0.072(3) Uani 1 1 d . . .
H48A H 1.0590 1.1202 0.5002 0.087 Uiso 1 1 calc R . .
C49 C 1.0593(10) 1.2070(7) 0.5824(8) 0.075(3) Uani 1 1 d . . .
H49A H 1.0487 1.2540 0.5537 0.090 Uiso 1 1 calc R . .
C50 C 1.0720(10) 1.2155(7) 0.6553(8) 0.081(4) Uani 1 1 d . . .
H50A H 1.0747 1.2700 0.6778 0.097 Uiso 1 1 calc R . .
C51 C 1.0815(8) 1.1451(6) 0.6989(6) 0.060(3) Uani 1 1 d . . .
H51A H 1.0901 1.1531 0.7498 0.072 Uiso 1 1 calc R . .
C52 C 1.1817(6) 0.9114(5) 0.6856(4) 0.0360(19) Uani 1 1 d . . .
C53 C 1.1435(7) 0.8375(6) 0.6401(5) 0.048(2) Uani 1 1 d . . .
H53A H 1.0669 0.8176 0.6265 0.057 Uiso 1 1 calc R . .
C54 C 1.2182(9) 0.7926(6) 0.6143(6) 0.065(3) Uani 1 1 d . . .
H54A H 1.1921 0.7426 0.5835 0.078 Uiso 1 1 calc R . .
C55 C 1.3317(9) 0.8223(7) 0.6347(6) 0.063(3) Uani 1 1 d . . .
H55A H 1.3823 0.7918 0.6181 0.076 Uiso 1 1 calc R . .
C56 C 1.3695(8) 0.8946(8) 0.6781(6) 0.064(3) Uani 1 1 d . . .
H56A H 1.4461 0.9145 0.6906 0.077 Uiso 1 1 calc R . .
C57 C 1.2965(7) 0.9404(7) 0.7048(6) 0.064(3) Uani 1 1 d . . .
H57A H 1.3239 0.9903 0.7355 0.077 Uiso 1 1 calc R . .
C58 C 0.7783(6) 0.8237(5) 0.7650(5) 0.037(2) Uani 1 1 d . . .
C59 C 0.7002(6) 0.8703(5) 0.7985(4) 0.0355(19) Uani 1 1 d . . .
C60 C 0.7093(6) 0.9588(5) 0.7953(4) 0.0349(19) Uani 1 1 d . . .
C61 C 0.6414(7) 1.0052(6) 0.8284(5) 0.046(2) Uani 1 1 d . . .
H61A H 0.6482 1.0649 0.8280 0.055 Uiso 1 1 calc R . .
C62 C 0.5650(7) 0.9625(7) 0.8616(5) 0.055(3) Uani 1 1 d . . .
H62A H 0.5187 0.9933 0.8823 0.066 Uiso 1 1 calc R . .
C63 C 0.5564(7) 0.8741(7) 0.8644(5) 0.052(2) Uani 1 1 d . . .
H63A H 0.5054 0.8458 0.8877 0.063 Uiso 1 1 calc R . .
C64 C 0.6232(7) 0.8276(6) 0.8326(5) 0.049(2) Uani 1 1 d . . .
H64A H 0.6168 0.7680 0.8341 0.059 Uiso 1 1 calc R . .
C65 C 0.8731(6) 1.1033(5) 0.7986(5) 0.039(2) Uani 1 1 d . . .
C66 C 0.9179(8) 1.1021(6) 0.8754(5) 0.050(2) Uani 1 1 d . . .
H66A H 0.9154 1.0503 0.8980 0.060 Uiso 1 1 calc R . .
C67 C 0.9654(9) 1.1776(7) 0.9171(6) 0.065(3) Uani 1 1 d . . .
H67A H 0.9934 1.1770 0.9681 0.077 Uiso 1 1 calc R . .
C68 C 0.9712(9) 1.2526(7) 0.8838(7) 0.068(3) Uani 1 1 d . . .
H68A H 1.0054 1.3031 0.9119 0.081 Uiso 1 1 calc R . .
C69 C 0.9274(9) 1.2550(6) 0.8093(7) 0.064(3) Uani 1 1 d . . .
H69A H 0.9303 1.3075 0.7878 0.077 Uiso 1 1 calc R . .
C70 C 0.8796(8) 1.1815(5) 0.7661(5) 0.049(2) Uani 1 1 d . . .
H70A H 0.8515 1.1838 0.7153 0.059 Uiso 1 1 calc R . .
C71 C 0.7280(7) 1.0356(5) 0.6573(5) 0.038(2) Uani 1 1 d . . .
C72 C 0.7685(8) 1.0326(6) 0.5949(5) 0.049(2) Uani 1 1 d . . .
H72A H 0.8370 1.0122 0.5968 0.058 Uiso 1 1 calc R . .
C73 C 0.7084(10) 1.0593(7) 0.5299(6) 0.068(3) Uani 1 1 d . . .
H73A H 0.7361 1.0572 0.4878 0.081 Uiso 1 1 calc R . .
C74 C 0.6049(9) 1.0900(7) 0.5265(6) 0.067(3) Uani 1 1 d . . .
H74A H 0.5632 1.1067 0.4820 0.081 Uiso 1 1 calc R . .
C75 C 0.5661(9) 1.0951(7) 0.5886(6) 0.069(3) Uani 1 1 d . . .
H75A H 0.4989 1.1173 0.5871 0.082 Uiso 1 1 calc R . .
C76 C 0.6259(8) 1.0675(7) 0.6535(6) 0.058(3) Uani 1 1 d . . .
H76A H 0.5981 1.0701 0.6956 0.070 Uiso 1 1 calc R . .
Cl1 Cl 0.5213(2) 0.22754(19) 0.79636(16) 0.0695(7) Uani 1 1 d . . .
C77 C 0.6186(10) 0.6464(8) 0.0834(7) 0.087(4) Uani 1 1 d . . .
H77A H 0.5752 0.6642 0.1177 0.104 Uiso 1 1 calc R . .
Cl2 Cl 0.6184(3) 0.5350(3) 0.0824(2) 0.1115(13) Uani 1 1 d . . .
Cl4 Cl 0.7534(3) 0.6974(2) 0.1114(2) 0.1188(13) Uani 1 1 d . . .
Cl3 Cl 0.5540(4) 0.6736(3) -0.0079(3) 0.1395(17) Uani 1 1 d . . .
O5 O 0.5180(9) 0.2048(7) 0.8673(6) 0.125(3) Uiso 1 1 d . . .
O6 O 0.4843(9) 0.3071(8) 0.7820(6) 0.131(4) Uiso 1 1 d . . .
O7 O 0.6327(10) 0.2289(8) 0.7880(6) 0.144(4) Uiso 1 1 d . . .
O8 O 0.4556(8) 0.1597(7) 0.7452(5) 0.113(3) Uiso 1 1 d . . .
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'
P P 0.1023 0.0942 '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'
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
C1 Ir1 C20 91.3(3) . . ?
C1 Ir1 O4 89.6(3) . . ?
C20 Ir1 O4 175.5(2) . . ?
C1 Ir1 P1 80.6(2) . . ?
C20 Ir1 P1 86.8(2) . . ?
O4 Ir1 P1 89.00(15) . . ?
C1 Ir1 P2 172.4(2) . . ?
C20 Ir1 P2 83.7(3) . . ?
O4 Ir1 P2 95.80(15) . . ?
P1 Ir1 P2 104.80(8) . . ?
C1 Ir1 Ir2 67.8(2) . . ?
C20 Ir1 Ir2 118.4(2) . . ?
O4 Ir1 Ir2 65.92(13) . . ?
P1 Ir1 Ir2 138.89(6) . . ?
P2 Ir1 Ir2 109.51(5) . . ?
C1 Ir1 H1 91.3 . . ?
C20 Ir1 H1 99.6 . . ?
O4 Ir1 H1 84.8 . . ?
P1 Ir1 H1 169.8 . . ?
P2 Ir1 H1 83.8 . . ?
Ir2 Ir1 H1 31.0 . . ?
C39 Ir2 C58 85.6(3) . . ?
C39 Ir2 O1 170.2(3) . . ?
C58 Ir2 O1 88.9(3) . . ?
C39 Ir2 P4 90.8(2) . . ?
C58 Ir2 P4 81.8(2) . . ?
O1 Ir2 P4 96.48(14) . . ?
C39 Ir2 P3 83.5(2) . . ?
C58 Ir2 P3 169.0(2) . . ?
O1 Ir2 P3 101.79(14) . . ?
P4 Ir2 P3 99.19(7) . . ?
C39 Ir2 Ir1 105.1(2) . . ?
C58 Ir2 Ir1 65.4(2) . . ?
O1 Ir2 Ir1 65.09(13) . . ?
P4 Ir2 Ir1 141.71(5) . . ?
P3 Ir2 Ir1 116.80(5) . . ?
C39 Ir2 H1 83.3 . . ?
C58 Ir2 H1 86.3 . . ?
O1 Ir2 H1 88.3 . . ?
P4 Ir2 H1 167.1 . . ?
P3 Ir2 H1 91.6 . . ?
Ir1 Ir2 H1 32.1 . . ?
O1 C1 C2 117.7(7) . . ?
O1 C1 Ir1 120.1(5) . . ?
C2 C1 Ir1 122.2(6) . . ?
C1 O1 Ir2 106.2(5) . . ?
C3 P1 C8 105.0(4) . . ?
C3 P1 C14 105.7(4) . . ?
C8 P1 C14 105.3(4) . . ?
C3 P1 Ir1 102.3(3) . . ?
C8 P1 Ir1 124.8(3) . . ?
C14 P1 Ir1 112.1(3) . . ?
C3 C2 C7 119.4(8) . . ?
C3 C2 C1 115.1(7) . . ?
C7 C2 C1 125.5(8) . . ?
C27 P2 C22 102.4(4) . . ?
C27 P2 C33 105.7(4) . . ?
C22 P2 C33 109.9(4) . . ?
C27 P2 Ir1 120.3(3) . . ?
C22 P2 Ir1 100.8(3) . . ?
C33 P2 Ir1 116.3(3) . . ?
C2 C3 C4 117.6(8) . . ?
C2 C3 P1 114.3(6) . . ?
C4 C3 P1 128.0(7) . . ?
C41 P3 C46 106.7(4) . . ?
C41 P3 C52 105.6(4) . . ?
C46 P3 C52 101.8(4) . . ?
C41 P3 Ir2 100.2(3) . . ?
C46 P3 Ir2 121.0(3) . . ?
C52 P3 Ir2 120.0(3) . . ?
C5 C4 C3 121.8(9) . . ?
C5 C4 H4A 119.1 . . ?
C3 C4 H4A 119.1 . . ?
C58 O4 Ir1 107.1(5) . . ?
C71 P4 C65 104.8(4) . . ?
C71 P4 C60 107.0(4) . . ?
C65 P4 C60 103.0(4) . . ?
C71 P4 Ir2 114.3(3) . . ?
C65 P4 Ir2 123.4(3) . . ?
C60 P4 Ir2 102.8(3) . . ?
C6 C5 C4 120.3(9) . . ?
C6 C5 H5A 119.8 . . ?
C4 C5 H5A 119.8 . . ?
C5 C6 C7 120.2(9) . . ?
C5 C6 H6A 119.9 . . ?
C7 C6 H6A 119.9 . . ?
C6 C7 C2 120.6(9) . . ?
C6 C7 H7A 119.7 . . ?
C2 C7 H7A 119.7 . . ?
C13 C8 C9 117.4(8) . . ?
C13 C8 P1 122.9(7) . . ?
C9 C8 P1 119.7(6) . . ?
C10 C9 C8 122.3(8) . . ?
C10 C9 H9A 118.9 . . ?
C8 C9 H9A 118.9 . . ?
C11 C10 C9 119.6(9) . . ?
C11 C10 H10A 120.2 . . ?
C9 C10 H10A 120.2 . . ?
C10 C11 C12 119.1(9) . . ?
C10 C11 H11A 120.5 . . ?
C12 C11 H11A 120.5 . . ?
C13 C12 C11 122.5(9) . . ?
C13 C12 H12A 118.7 . . ?
C11 C12 H12A 118.7 . . ?
C8 C13 C12 119.1(8) . . ?
C8 C13 H13A 120.5 . . ?
C12 C13 H13A 120.5 . . ?
C19 C14 C15 119.2(8) . . ?
C19 C14 P1 119.5(7) . . ?
C15 C14 P1 121.3(8) . . ?
C14 C15 C16 119.4(10) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C17 C16 C15 120.5(11) . . ?
C17 C16 H16A 119.8 . . ?
C15 C16 H16A 119.8 . . ?
C16 C17 C18 120.7(11) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C17 C18 C19 118.3(11) . . ?
C17 C18 H18A 120.9 . . ?
C19 C18 H18A 120.9 . . ?
C14 C19 C18 121.9(10) . . ?
C14 C19 H19A 119.1 . . ?
C18 C19 H19A 119.1 . . ?
O2 C20 C21 115.7(7) . . ?
O2 C20 Ir1 125.9(6) . . ?
C21 C20 Ir1 118.0(6) . . ?
C26 C21 C22 118.7(8) . . ?
C26 C21 C20 120.6(8) . . ?
C22 C21 C20 120.6(7) . . ?
C23 C22 C21 121.5(8) . . ?
C23 C22 P2 124.6(7) . . ?
C21 C22 P2 113.7(6) . . ?
C22 C23 C24 118.7(9) . . ?
C22 C23 H23A 120.7 . . ?
C24 C23 H23A 120.7 . . ?
C25 C24 C23 120.4(9) . . ?
C25 C24 H24A 119.8 . . ?
C23 C24 H24A 119.8 . . ?
C24 C25 C26 120.6(9) . . ?
C24 C25 H25A 119.7 . . ?
C26 C25 H25A 119.7 . . ?
C25 C26 C21 120.1(9) . . ?
C25 C26 H26A 119.9 . . ?
C21 C26 H26A 119.9 . . ?
C28 C27 C32 117.9(8) . . ?
C28 C27 P2 124.4(7) . . ?
C32 C27 P2 117.7(7) . . ?
C27 C28 C29 121.2(9) . . ?
C27 C28 H28A 119.4 . . ?
C29 C28 H28A 119.4 . . ?
C30 C29 C28 119.1(10) . . ?
C30 C29 H29A 120.5 . . ?
C28 C29 H29A 120.5 . . ?
C29 C30 C31 121.4(10) . . ?
C29 C30 H30A 119.3 . . ?
C31 C30 H30A 119.3 . . ?
C30 C31 C32 118.5(10) . . ?
C30 C31 H31A 120.7 . . ?
C32 C31 H31A 120.7 . . ?
C27 C32 C31 121.9(9) . . ?
C27 C32 H32A 119.0 . . ?
C31 C32 H32A 119.0 . . ?
C34 C33 C38 118.5(8) . . ?
C34 C33 P2 122.4(7) . . ?
C38 C33 P2 118.4(7) . . ?
C33 C34 C35 120.5(9) . . ?
C33 C34 H34A 119.7 . . ?
C35 C34 H34A 119.7 . . ?
C36 C35 C34 119.3(11) . . ?
C36 C35 H35A 120.4 . . ?
C34 C35 H35A 120.4 . . ?
C37 C36 C35 120.9(10) . . ?
C37 C36 H36A 119.5 . . ?
C35 C36 H36A 119.5 . . ?
C36 C37 C38 118.9(10) . . ?
C36 C37 H37A 120.5 . . ?
C38 C37 H37A 120.5 . . ?
O3 C39 C40 119.4(7) . . ?
O3 C39 Ir2 122.3(6) . . ?
C40 C39 Ir2 118.3(5) . . ?
C33 C38 C37 121.8(10) . . ?
C33 C38 H39A 119.1 . . ?
C37 C38 H39A 119.1 . . ?
C41 C40 C45 119.3(8) . . ?
C41 C40 C39 122.0(7) . . ?
C45 C40 C39 118.7(7) . . ?
C40 C41 C42 120.2(8) . . ?
C40 C41 P3 114.5(6) . . ?
C42 C41 P3 125.3(7) . . ?
C41 C42 C43 119.5(9) . . ?
C41 C42 H42A 120.3 . . ?
C43 C42 H42A 120.3 . . ?
C42 C43 C44 119.8(9) . . ?
C42 C43 H43A 120.1 . . ?
C44 C43 H43A 120.1 . . ?
C45 C44 C43 120.8(9) . . ?
C45 C44 H44A 119.6 . . ?
C43 C44 H44A 119.6 . . ?
C44 C45 C40 120.3(10) . . ?
C44 C45 H45A 119.8 . . ?
C40 C45 H45A 119.8 . . ?
C51 C46 C47 118.0(9) . . ?
C51 C46 P3 123.3(7) . . ?
C47 C46 P3 118.8(7) . . ?
C48 C47 C46 121.3(10) . . ?
C48 C47 H47A 119.3 . . ?
C46 C47 H47A 119.3 . . ?
C47 C48 C49 120.1(11) . . ?
C47 C48 H48A 120.0 . . ?
C49 C48 H48A 120.0 . . ?
C50 C49 C48 118.4(11) . . ?
C50 C49 H49A 120.8 . . ?
C48 C49 H49A 120.8 . . ?
C49 C50 C51 121.9(12) . . ?
C49 C50 H50A 119.1 . . ?
C51 C50 H50A 119.1 . . ?
C46 C51 C50 120.2(11) . . ?
C46 C51 H51A 119.9 . . ?
C50 C51 H51A 119.9 . . ?
C53 C52 C57 118.9(8) . . ?
C53 C52 P3 118.8(6) . . ?
C57 C52 P3 122.3(7) . . ?
C52 C53 C54 120.4(9) . . ?
C52 C53 H53A 119.8 . . ?
C54 C53 H53A 119.8 . . ?
C55 C54 C53 119.6(10) . . ?
C55 C54 H54A 120.2 . . ?
C53 C54 H54A 120.2 . . ?
C56 C55 C54 120.5(9) . . ?
C56 C55 H55A 119.8 . . ?
C54 C55 H55A 119.8 . . ?
C55 C56 C57 121.0(10) . . ?
C55 C56 H56A 119.5 . . ?
C57 C56 H56A 119.5 . . ?
C56 C57 C52 119.6(9) . . ?
C56 C57 H57A 120.2 . . ?
C52 C57 H57A 120.2 . . ?
O4 C58 C59 117.8(7) . . ?
O4 C58 Ir2 121.1(6) . . ?
C59 C58 Ir2 121.1(6) . . ?
C60 C59 C64 120.7(8) . . ?
C60 C59 C58 117.1(7) . . ?
C64 C59 C58 122.3(8) . . ?
C59 C60 C61 119.0(8) . . ?
C59 C60 P4 114.5(6) . . ?
C61 C60 P4 126.4(7) . . ?
C62 C61 C60 120.0(9) . . ?
C62 C61 H61A 120.0 . . ?
C60 C61 H61A 120.0 . . ?
C63 C62 C61 120.5(9) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C62 C63 C64 120.3(9) . . ?
C62 C63 H63A 119.9 . . ?
C64 C63 H63A 119.9 . . ?
C63 C64 C59 119.6(9) . . ?
C63 C64 H64A 120.2 . . ?
C59 C64 H64A 120.2 . . ?
C66 C65 C70 118.7(8) . . ?
C66 C65 P4 119.2(7) . . ?
C70 C65 P4 122.2(7) . . ?
C65 C66 C67 120.0(9) . . ?
C65 C66 H66A 120.0 . . ?
C67 C66 H66A 120.0 . . ?
C68 C67 C66 119.8(10) . . ?
C68 C67 H67A 120.1 . . ?
C66 C67 H67A 120.1 . . ?
C67 C68 C69 120.9(10) . . ?
C67 C68 H68A 119.6 . . ?
C69 C68 H68A 119.6 . . ?
C70 C69 C68 121.0(10) . . ?
C70 C69 H69A 119.5 . . ?
C68 C69 H69A 119.5 . . ?
C69 C70 C65 119.6(10) . . ?
C69 C70 H70A 120.2 . . ?
C65 C70 H70A 120.2 . . ?
C76 C71 C72 119.0(8) . . ?
C76 C71 P4 120.4(7) . . ?
C72 C71 P4 120.5(7) . . ?
C73 C72 C71 120.2(9) . . ?
C73 C72 H72A 119.9 . . ?
C71 C72 H72A 119.9 . . ?
C72 C73 C74 120.2(10) . . ?
C72 C73 H73A 119.9 . . ?
C74 C73 H73A 119.9 . . ?
C75 C74 C73 119.7(10) . . ?
C75 C74 H74A 120.1 . . ?
C73 C74 H74A 120.1 . . ?
C74 C75 C76 120.0(10) . . ?
C74 C75 H75A 120.0 . . ?
C76 C75 H75A 120.0 . . ?
C71 C76 C75 120.8(9) . . ?
C71 C76 H76A 119.6 . . ?
C75 C76 H76A 119.6 . . ?
O7 Cl1 O5 109.4(7) . . ?
O7 Cl1 O6 110.1(7) . . ?
O5 Cl1 O6 111.7(7) . . ?
O7 Cl1 O8 105.4(6) . . ?
O5 Cl1 O8 107.4(6) . . ?
O6 Cl1 O8 112.6(7) . . ?
Cl4 C77 Cl2 110.2(7) . . ?
Cl4 C77 Cl3 110.2(7) . . ?
Cl2 C77 Cl3 108.5(7) . . ?
Cl4 C77 H77A 109.3 . . ?
Cl2 C77 H77A 109.3 . . ?
Cl3 C77 H77A 109.3 . . ?
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 C1 2.022(8) . ?
Ir1 C20 2.007(8) . ?
Ir1 O4 2.181(5) . ?
Ir1 P1 2.296(2) . ?
Ir1 P2 2.358(2) . ?
Ir1 Ir2 2.9629(4) . ?
Ir1 H1 1.7660 . ?
Ir2 C39 2.025(7) . ?
Ir2 C58 2.027(8) . ?
Ir2 O1 2.268(5) . ?
Ir2 P4 2.301(2) . ?
Ir2 P3 2.3947(19) . ?
Ir2 H1 1.7101 . ?
C1 O1 1.266(9) . ?
C1 C2 1.471(11) . ?
P1 C3 1.787(9) . ?
P1 C8 1.803(9) . ?
P1 C14 1.833(8) . ?
C2 C3 1.420(11) . ?
C2 C7 1.387(11) . ?
O2 C20 1.243(9) . ?
P2 C27 1.823(8) . ?
P2 C22 1.831(8) . ?
P2 C33 1.820(8) . ?
C3 C4 1.400(11) . ?
O3 C39 1.222(9) . ?
P3 C41 1.821(8) . ?
P3 C46 1.838(8) . ?
P3 C52 1.834(8) . ?
C4 C5 1.349(13) . ?
C4 H4A 0.9300 . ?
O4 C58 1.244(9) . ?
P4 C71 1.827(8) . ?
P4 C65 1.818(8) . ?
P4 C60 1.818(8) . ?
C5 C6 1.380(13) . ?
C5 H5A 0.9300 . ?
C6 C7 1.370(12) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C13 1.407(11) . ?
C8 C9 1.403(11) . ?
C9 C10 1.381(11) . ?
C9 H9A 0.9300 . ?
C10 C11 1.378(13) . ?
C10 H10A 0.9300 . ?
C11 C12 1.372(13) . ?
C11 H11A 0.9300 . ?
C12 C13 1.388(12) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C19 1.372(12) . ?
C14 C15 1.398(12) . ?
C15 C16 1.388(13) . ?
C15 H15A 0.9300 . ?
C16 C17 1.374(17) . ?
C16 H16A 0.9300 . ?
C17 C18 1.390(16) . ?
C17 H17A 0.9300 . ?
C18 C19 1.388(12) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C21 1.540(11) . ?
C21 C26 1.394(11) . ?
C21 C22 1.380(11) . ?
C22 C23 1.390(11) . ?
C23 C24 1.387(13) . ?
C23 H23A 0.9300 . ?
C24 C25 1.373(13) . ?
C24 H24A 0.9300 . ?
C25 C26 1.378(13) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.357(12) . ?
C27 C32 1.387(12) . ?
C28 C29 1.407(13) . ?
C28 H28A 0.9300 . ?
C29 C30 1.366(15) . ?
C29 H29A 0.9300 . ?
C30 C31 1.358(14) . ?
C30 H30A 0.9300 . ?
C31 C32 1.392(13) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.378(12) . ?
C33 C38 1.374(12) . ?
C34 C35 1.392(12) . ?
C34 H34A 0.9300 . ?
C35 C36 1.365(15) . ?
C35 H35A 0.9300 . ?
C36 C37 1.377(16) . ?
C36 H36A 0.9300 . ?
C37 C38 1.369(13) . ?
C37 H37A 0.9300 . ?
C39 C40 1.501(11) . ?
C38 H39A 0.9300 . ?
C40 C41 1.378(11) . ?
C40 C45 1.406(12) . ?
C41 C42 1.399(11) . ?
C42 C43 1.378(13) . ?
C42 H42A 0.9300 . ?
C43 C44 1.394(14) . ?
C43 H43A 0.9300 . ?
C44 C45 1.345(13) . ?
C44 H44A 0.9300 . ?
C45 H45A 0.9300 . ?
C46 C51 1.353(12) . ?
C46 C47 1.371(12) . ?
C47 C48 1.375(13) . ?
C47 H47A 0.9300 . ?
C48 C49 1.376(15) . ?
C48 H48A 0.9300 . ?
C49 C50 1.329(16) . ?
C49 H49A 0.9300 . ?
C50 C51 1.395(14) . ?
C50 H50A 0.9300 . ?
C51 H51A 0.9300 . ?
C52 C53 1.374(11) . ?
C52 C57 1.391(11) . ?
C53 C54 1.383(12) . ?
C53 H53A 0.9300 . ?
C54 C55 1.379(14) . ?
C54 H54A 0.9300 . ?
C55 C56 1.335(14) . ?
C55 H55A 0.9300 . ?
C56 C57 1.383(13) . ?
C56 H56A 0.9300 . ?
C57 H57A 0.9300 . ?
C58 C59 1.507(11) . ?
C59 C60 1.382(11) . ?
C59 C64 1.390(11) . ?
C60 C61 1.402(11) . ?
C61 C62 1.373(12) . ?
C61 H61A 0.9300 . ?
C62 C63 1.381(13) . ?
C62 H62A 0.9300 . ?
C63 C64 1.378(12) . ?
C63 H63A 0.9300 . ?
C64 H64A 0.9300 . ?
C65 C66 1.406(12) . ?
C65 C70 1.391(12) . ?
C66 C67 1.378(12) . ?
C66 H66A 0.9300 . ?
C67 C68 1.353(14) . ?
C67 H67A 0.9300 . ?
C68 C69 1.365(15) . ?
C68 H68A 0.9300 . ?
C69 C70 1.366(13) . ?
C69 H69A 0.9300 . ?
C70 H70A 0.9300 . ?
C71 C76 1.395(12) . ?
C71 C72 1.374(11) . ?
C72 C73 1.368(13) . ?
C72 H72A 0.9300 . ?
C73 C74 1.403(15) . ?
C73 H73A 0.9300 . ?
C74 C75 1.358(14) . ?
C74 H74A 0.9300 . ?
C75 C76 1.371(13) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
Cl1 O7 1.418(12) . ?
Cl1 O5 1.391(11) . ?
Cl1 O6 1.390(12) . ?
Cl1 O8 1.430(10) . ?
C77 Cl4 1.709(12) . ?
C77 Cl2 1.744(13) . ?
C77 Cl3 1.786(13) . ?
C77 H77A 0.9800 . ?
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
C1 Ir1 Ir2 C39 174.7(3) . . . . ?
C20 Ir1 Ir2 C39 -106.4(4) . . . . ?
O4 Ir1 Ir2 C39 74.7(3) . . . . ?
P1 Ir1 Ir2 C39 132.0(2) . . . . ?
P2 Ir1 Ir2 C39 -12.9(2) . . . . ?
C1 Ir1 Ir2 C58 96.9(3) . . . . ?
C20 Ir1 Ir2 C58 175.8(4) . . . . ?
O4 Ir1 Ir2 C58 -3.1(3) . . . . ?
P1 Ir1 Ir2 C58 54.2(3) . . . . ?
P2 Ir1 Ir2 C58 -90.7(3) . . . . ?
C1 Ir1 Ir2 O1 -4.0(3) . . . . ?
C20 Ir1 Ir2 O1 74.9(3) . . . . ?
O4 Ir1 Ir2 O1 -104.0(2) . . . . ?
P1 Ir1 Ir2 O1 -46.72(17) . . . . ?
P2 Ir1 Ir2 O1 168.38(15) . . . . ?
C1 Ir1 Ir2 P4 63.2(2) . . . . ?
C20 Ir1 Ir2 P4 142.1(3) . . . . ?
O4 Ir1 Ir2 P4 -36.77(18) . . . . ?
P1 Ir1 Ir2 P4 20.47(13) . . . . ?
P2 Ir1 Ir2 P4 -124.42(10) . . . . ?
C1 Ir1 Ir2 P3 -95.0(2) . . . . ?
C20 Ir1 Ir2 P3 -16.1(3) . . . . ?
O4 Ir1 Ir2 P3 165.02(17) . . . . ?
P1 Ir1 Ir2 P3 -137.74(10) . . . . ?
P2 Ir1 Ir2 P3 77.37(8) . . . . ?
C20 Ir1 C1 O1 -112.8(6) . . . . ?
O4 Ir1 C1 O1 71.6(6) . . . . ?
P1 Ir1 C1 O1 160.7(6) . . . . ?
P2 Ir1 C1 O1 -63.3(19) . . . . ?
Ir2 Ir1 C1 O1 7.5(5) . . . . ?
C20 Ir1 C1 C2 66.3(6) . . . . ?
O4 Ir1 C1 C2 -109.3(6) . . . . ?
P1 Ir1 C1 C2 -20.3(6) . . . . ?
P2 Ir1 C1 C2 115.8(15) . . . . ?
Ir2 Ir1 C1 C2 -173.4(7) . . . . ?
C2 C1 O1 Ir2 171.4(5) . . . . ?
Ir1 C1 O1 Ir2 -9.5(6) . . . . ?
C39 Ir2 O1 C1 -1.1(17) . . . . ?
C58 Ir2 O1 C1 -57.1(5) . . . . ?
P4 Ir2 O1 C1 -138.7(4) . . . . ?
P3 Ir2 O1 C1 120.4(4) . . . . ?
Ir1 Ir2 O1 C1 6.2(4) . . . . ?
C1 Ir1 P1 C3 18.9(3) . . . . ?
C20 Ir1 P1 C3 -73.0(4) . . . . ?
O4 Ir1 P1 C3 108.6(3) . . . . ?
P2 Ir1 P1 C3 -155.7(3) . . . . ?
Ir2 Ir1 P1 C3 58.4(3) . . . . ?
C1 Ir1 P1 C8 137.2(4) . . . . ?
C20 Ir1 P1 C8 45.3(4) . . . . ?
O4 Ir1 P1 C8 -133.1(4) . . . . ?
P2 Ir1 P1 C8 -37.3(4) . . . . ?
Ir2 Ir1 P1 C8 176.8(3) . . . . ?
C1 Ir1 P1 C14 -93.8(4) . . . . ?
C20 Ir1 P1 C14 174.3(4) . . . . ?
O4 Ir1 P1 C14 -4.1(4) . . . . ?
P2 Ir1 P1 C14 91.6(3) . . . . ?
Ir2 Ir1 P1 C14 -54.3(3) . . . . ?
O1 C1 C2 C3 -167.8(7) . . . . ?
Ir1 C1 C2 C3 13.1(10) . . . . ?
O1 C1 C2 C7 12.5(12) . . . . ?
Ir1 C1 C2 C7 -166.6(7) . . . . ?
C1 Ir1 P2 C27 47.2(17) . . . . ?
C20 Ir1 P2 C27 97.0(4) . . . . ?
O4 Ir1 P2 C27 -87.5(3) . . . . ?
P1 Ir1 P2 C27 -178.0(3) . . . . ?
Ir2 Ir1 P2 C27 -21.0(3) . . . . ?
C1 Ir1 P2 C22 -64.3(16) . . . . ?
C20 Ir1 P2 C22 -14.5(3) . . . . ?
O4 Ir1 P2 C22 161.0(3) . . . . ?
P1 Ir1 P2 C22 70.5(3) . . . . ?
Ir2 Ir1 P2 C22 -132.5(3) . . . . ?
C1 Ir1 P2 C33 176.8(16) . . . . ?
C20 Ir1 P2 C33 -133.3(4) . . . . ?
O4 Ir1 P2 C33 42.2(3) . . . . ?
P1 Ir1 P2 C33 -48.3(3) . . . . ?
Ir2 Ir1 P2 C33 108.7(3) . . . . ?
C7 C2 C3 C4 2.8(12) . . . . ?
C1 C2 C3 C4 -176.9(7) . . . . ?
C7 C2 C3 P1 -173.6(6) . . . . ?
C1 C2 C3 P1 6.7(9) . . . . ?
C8 P1 C3 C2 -150.8(6) . . . . ?
C14 P1 C3 C2 98.2(6) . . . . ?
Ir1 P1 C3 C2 -19.2(6) . . . . ?
C8 P1 C3 C4 33.3(9) . . . . ?
C14 P1 C3 C4 -77.7(8) . . . . ?
Ir1 P1 C3 C4 164.9(7) . . . . ?
C39 Ir2 P3 C41 -10.1(4) . . . . ?
C58 Ir2 P3 C41 -14.7(13) . . . . ?
O1 Ir2 P3 C41 178.3(3) . . . . ?
P4 Ir2 P3 C41 79.7(3) . . . . ?
Ir1 Ir2 P3 C41 -113.8(3) . . . . ?
C39 Ir2 P3 C46 -126.8(4) . . . . ?
C58 Ir2 P3 C46 -131.4(13) . . . . ?
O1 Ir2 P3 C46 61.6(4) . . . . ?
P4 Ir2 P3 C46 -37.0(3) . . . . ?
Ir1 Ir2 P3 C46 129.5(3) . . . . ?
C39 Ir2 P3 C52 104.7(4) . . . . ?
C58 Ir2 P3 C52 100.1(13) . . . . ?
O1 Ir2 P3 C52 -66.9(3) . . . . ?
P4 Ir2 P3 C52 -165.5(3) . . . . ?
Ir1 Ir2 P3 C52 1.0(3) . . . . ?
C2 C3 C4 C5 -0.5(13) . . . . ?
P1 C3 C4 C5 175.2(7) . . . . ?
C1 Ir1 O4 C58 -61.0(6) . . . . ?
C20 Ir1 O4 C58 -163(3) . . . . ?
P1 Ir1 O4 C58 -141.7(5) . . . . ?
P2 Ir1 O4 C58 113.6(5) . . . . ?
Ir2 Ir1 O4 C58 4.8(5) . . . . ?
C39 Ir2 P4 C71 172.5(4) . . . . ?
C58 Ir2 P4 C71 -102.0(4) . . . . ?
O1 Ir2 P4 C71 -14.1(3) . . . . ?
P3 Ir2 P4 C71 89.0(3) . . . . ?
Ir1 Ir2 P4 C71 -71.4(3) . . . . ?
C39 Ir2 P4 C65 43.2(4) . . . . ?
C58 Ir2 P4 C65 128.7(4) . . . . ?
O1 Ir2 P4 C65 -143.4(4) . . . . ?
P3 Ir2 P4 C65 -40.3(4) . . . . ?
Ir1 Ir2 P4 C65 159.3(3) . . . . ?
C39 Ir2 P4 C60 -72.0(3) . . . . ?
C58 Ir2 P4 C60 13.5(4) . . . . ?
O1 Ir2 P4 C60 101.4(3) . . . . ?
P3 Ir2 P4 C60 -155.5(3) . . . . ?
Ir1 Ir2 P4 C60 44.1(3) . . . . ?
C3 C4 C5 C6 -1.3(15) . . . . ?
C4 C5 C6 C7 1.0(15) . . . . ?
C5 C6 C7 C2 1.3(15) . . . . ?
C3 C2 C7 C6 -3.2(13) . . . . ?
C1 C2 C7 C6 176.5(8) . . . . ?
C3 P1 C8 C13 -132.6(7) . . . . ?
C14 P1 C8 C13 -21.3(8) . . . . ?
Ir1 P1 C8 C13 110.3(7) . . . . ?
C3 P1 C8 C9 48.7(8) . . . . ?
C14 P1 C8 C9 160.0(7) . . . . ?
Ir1 P1 C8 C9 -68.3(8) . . . . ?
C13 C8 C9 C10 -0.5(13) . . . . ?
P1 C8 C9 C10 178.3(7) . . . . ?
C8 C9 C10 C11 3.6(15) . . . . ?
C9 C10 C11 C12 -4.3(16) . . . . ?
C10 C11 C12 C13 2.0(16) . . . . ?
C9 C8 C13 C12 -1.8(13) . . . . ?
P1 C8 C13 C12 179.5(7) . . . . ?
C11 C12 C13 C8 1.1(15) . . . . ?
C3 P1 C14 C19 -173.0(7) . . . . ?
C8 P1 C14 C19 76.2(7) . . . . ?
Ir1 P1 C14 C19 -62.4(7) . . . . ?
C3 P1 C14 C15 4.7(8) . . . . ?
C8 P1 C14 C15 -106.1(7) . . . . ?
Ir1 P1 C14 C15 115.4(6) . . . . ?
C19 C14 C15 C16 -0.8(13) . . . . ?
P1 C14 C15 C16 -178.6(7) . . . . ?
C14 C15 C16 C17 0.1(15) . . . . ?
C15 C16 C17 C18 0.8(17) . . . . ?
C16 C17 C18 C19 -0.8(16) . . . . ?
C15 C14 C19 C18 0.8(13) . . . . ?
P1 C14 C19 C18 178.5(7) . . . . ?
C17 C18 C19 C14 0.0(15) . . . . ?
C1 Ir1 C20 O2 2.4(7) . . . . ?
O4 Ir1 C20 O2 104(4) . . . . ?
P1 Ir1 C20 O2 82.9(7) . . . . ?
P2 Ir1 C20 O2 -171.9(7) . . . . ?
Ir2 Ir1 C20 O2 -63.0(7) . . . . ?
C1 Ir1 C20 C21 -171.2(6) . . . . ?
O4 Ir1 C20 C21 -70(4) . . . . ?
P1 Ir1 C20 C21 -90.7(5) . . . . ?
P2 Ir1 C20 C21 14.6(5) . . . . ?
Ir2 Ir1 C20 C21 123.4(5) . . . . ?
O2 C20 C21 C26 -6.4(11) . . . . ?
Ir1 C20 C21 C26 167.7(6) . . . . ?
O2 C20 C21 C22 176.4(7) . . . . ?
Ir1 C20 C21 C22 -9.4(9) . . . . ?
C26 C21 C22 C23 2.6(12) . . . . ?
C20 C21 C22 C23 179.9(7) . . . . ?
C26 C21 C22 P2 177.4(6) . . . . ?
C20 C21 C22 P2 -5.3(10) . . . . ?
C27 P2 C22 C23 64.2(8) . . . . ?
C33 P2 C22 C23 -47.8(8) . . . . ?
Ir1 P2 C22 C23 -171.1(7) . . . . ?
C27 P2 C22 C21 -110.4(6) . . . . ?
C33 P2 C22 C21 137.6(6) . . . . ?
Ir1 P2 C22 C21 14.2(6) . . . . ?
C21 C22 C23 C24 -3.5(13) . . . . ?
P2 C22 C23 C24 -177.8(7) . . . . ?
C22 C23 C24 C25 2.9(14) . . . . ?
C23 C24 C25 C26 -1.4(15) . . . . ?
C24 C25 C26 C21 0.5(14) . . . . ?
C22 C21 C26 C25 -1.1(13) . . . . ?
C20 C21 C26 C25 -178.3(8) . . . . ?
C22 P2 C27 C28 -107.4(8) . . . . ?
C33 P2 C27 C28 7.7(9) . . . . ?
Ir1 P2 C27 C28 141.9(7) . . . . ?
C22 P2 C27 C32 71.2(8) . . . . ?
C33 P2 C27 C32 -173.6(7) . . . . ?
Ir1 P2 C27 C32 -39.4(8) . . . . ?
C32 C27 C28 C29 0.3(15) . . . . ?
P2 C27 C28 C29 179.0(9) . . . . ?
C27 C28 C29 C30 0.8(18) . . . . ?
C28 C29 C30 C31 -1(2) . . . . ?
C29 C30 C31 C32 0.5(18) . . . . ?
C28 C27 C32 C31 -1.0(15) . . . . ?
P2 C27 C32 C31 -179.7(8) . . . . ?
C30 C31 C32 C27 0.6(16) . . . . ?
C27 P2 C33 C34 -129.4(8) . . . . ?
C22 P2 C33 C34 -19.5(9) . . . . ?
Ir1 P2 C33 C34 94.3(8) . . . . ?
C27 P2 C33 C38 60.3(8) . . . . ?
C22 P2 C33 C38 170.2(7) . . . . ?
Ir1 P2 C33 C38 -76.0(8) . . . . ?
C38 C33 C34 C35 -0.1(14) . . . . ?
P2 C33 C34 C35 -170.4(8) . . . . ?
C33 C34 C35 C36 -1.7(17) . . . . ?
C34 C35 C36 C37 1.2(19) . . . . ?
C35 C36 C37 C38 1(2) . . . . ?
C58 Ir2 C39 O3 10.5(7) . . . . ?
O1 Ir2 C39 O3 -46(2) . . . . ?
P4 Ir2 C39 O3 92.2(7) . . . . ?
P3 Ir2 C39 O3 -168.7(8) . . . . ?
Ir1 Ir2 C39 O3 -52.6(8) . . . . ?
C58 Ir2 C39 C40 -170.4(7) . . . . ?
O1 Ir2 C39 C40 133.4(13) . . . . ?
P4 Ir2 C39 C40 -88.7(6) . . . . ?
P3 Ir2 C39 C40 10.5(6) . . . . ?
Ir1 Ir2 C39 C40 126.5(6) . . . . ?
C34 C33 C38 C37 2.4(15) . . . . ?
P2 C33 C38 C37 173.1(9) . . . . ?
C36 C37 C38 C33 -2.9(18) . . . . ?
O3 C39 C40 C41 172.0(8) . . . . ?
Ir2 C39 C40 C41 -7.1(11) . . . . ?
O3 C39 C40 C45 -9.8(13) . . . . ?
Ir2 C39 C40 C45 171.0(7) . . . . ?
C45 C40 C41 C42 -1.1(13) . . . . ?
C39 C40 C41 C42 177.0(8) . . . . ?
C45 C40 C41 P3 178.4(7) . . . . ?
C39 C40 C41 P3 -3.5(11) . . . . ?
C46 P3 C41 C40 136.8(6) . . . . ?
C52 P3 C41 C40 -115.4(7) . . . . ?
Ir2 P3 C41 C40 9.9(7) . . . . ?
C46 P3 C41 C42 -43.7(8) . . . . ?
C52 P3 C41 C42 64.1(8) . . . . ?
Ir2 P3 C41 C42 -170.6(7) . . . . ?
C40 C41 C42 C43 0.6(14) . . . . ?
P3 C41 C42 C43 -178.9(8) . . . . ?
C41 C42 C43 C44 -0.8(17) . . . . ?
C42 C43 C44 C45 1.6(19) . . . . ?
C43 C44 C45 C40 -2.2(18) . . . . ?
C41 C40 C45 C44 2.0(15) . . . . ?
C39 C40 C45 C44 -176.3(10) . . . . ?
C41 P3 C46 C51 -24.8(8) . . . . ?
C52 P3 C46 C51 -135.3(8) . . . . ?
Ir2 P3 C46 C51 88.5(8) . . . . ?
C41 P3 C46 C47 157.4(7) . . . . ?
C52 P3 C46 C47 46.9(8) . . . . ?
Ir2 P3 C46 C47 -89.3(7) . . . . ?
C51 C46 C47 C48 -1.5(14) . . . . ?
P3 C46 C47 C48 176.4(8) . . . . ?
C46 C47 C48 C49 -2.1(17) . . . . ?
C47 C48 C49 C50 4.7(18) . . . . ?
C48 C49 C50 C51 -3.8(19) . . . . ?
C47 C46 C51 C50 2.5(14) . . . . ?
P3 C46 C51 C50 -175.4(8) . . . . ?
C49 C50 C51 C46 0.2(18) . . . . ?
C41 P3 C52 C53 139.4(7) . . . . ?
C46 P3 C52 C53 -109.3(7) . . . . ?
Ir2 P3 C52 C53 27.4(8) . . . . ?
C41 P3 C52 C57 -40.2(9) . . . . ?
C46 P3 C52 C57 71.2(8) . . . . ?
Ir2 P3 C52 C57 -152.1(7) . . . . ?
C57 C52 C53 C54 0.4(14) . . . . ?
P3 C52 C53 C54 -179.1(8) . . . . ?
C52 C53 C54 C55 0.1(15) . . . . ?
C53 C54 C55 C56 -1.0(17) . . . . ?
C54 C55 C56 C57 1.3(17) . . . . ?
C55 C56 C57 C52 -0.8(17) . . . . ?
C53 C52 C57 C56 -0.1(15) . . . . ?
P3 C52 C57 C56 179.4(8) . . . . ?
Ir1 O4 C58 C59 172.7(6) . . . . ?
Ir1 O4 C58 Ir2 -7.4(8) . . . . ?
C39 Ir2 C58 O4 -103.1(7) . . . . ?
O1 Ir2 C58 O4 68.7(7) . . . . ?
P4 Ir2 C58 O4 165.4(7) . . . . ?
P3 Ir2 C58 O4 -98.5(13) . . . . ?
Ir1 Ir2 C58 O4 5.7(6) . . . . ?
C39 Ir2 C58 C59 76.7(7) . . . . ?
O1 Ir2 C58 C59 -111.4(6) . . . . ?
P4 Ir2 C58 C59 -14.7(6) . . . . ?
P3 Ir2 C58 C59 81.3(15) . . . . ?
Ir1 Ir2 C58 C59 -174.4(7) . . . . ?
O4 C58 C59 C60 -169.9(8) . . . . ?
Ir2 C58 C59 C60 10.2(10) . . . . ?
O4 C58 C59 C64 11.2(12) . . . . ?
Ir2 C58 C59 C64 -168.6(7) . . . . ?
C64 C59 C60 C61 1.4(12) . . . . ?
C58 C59 C60 C61 -177.5(7) . . . . ?
C64 C59 C60 P4 -177.3(7) . . . . ?
C58 C59 C60 P4 3.8(10) . . . . ?
C71 P4 C60 C59 107.5(6) . . . . ?
C65 P4 C60 C59 -142.3(6) . . . . ?
Ir2 P4 C60 C59 -13.1(7) . . . . ?
C71 P4 C60 C61 -71.1(8) . . . . ?
C65 P4 C60 C61 39.1(8) . . . . ?
Ir2 P4 C60 C61 168.3(7) . . . . ?
C59 C60 C61 C62 -1.9(13) . . . . ?
P4 C60 C61 C62 176.7(7) . . . . ?
C60 C61 C62 C63 1.7(14) . . . . ?
C61 C62 C63 C64 -1.2(15) . . . . ?
C62 C63 C64 C59 0.7(14) . . . . ?
C60 C59 C64 C63 -0.8(13) . . . . ?
C58 C59 C64 C63 178.0(8) . . . . ?
C71 P4 C65 C66 163.9(7) . . . . ?
C60 P4 C65 C66 52.1(7) . . . . ?
Ir2 P4 C65 C66 -62.9(7) . . . . ?
C71 P4 C65 C70 -16.4(8) . . . . ?
C60 P4 C65 C70 -128.2(7) . . . . ?
Ir2 P4 C65 C70 116.7(7) . . . . ?
C70 C65 C66 C67 1.0(13) . . . . ?
P4 C65 C66 C67 -179.3(7) . . . . ?
C65 C66 C67 C68 -1.5(15) . . . . ?
C66 C67 C68 C69 2.0(17) . . . . ?
C67 C68 C69 C70 -1.9(17) . . . . ?
C68 C69 C70 C65 1.4(15) . . . . ?
C66 C65 C70 C69 -0.9(13) . . . . ?
P4 C65 C70 C69 179.4(7) . . . . ?
C65 P4 C71 C76 -75.1(8) . . . . ?
C60 P4 C71 C76 33.8(8) . . . . ?
Ir2 P4 C71 C76 146.8(7) . . . . ?
C65 P4 C71 C72 102.1(7) . . . . ?
C60 P4 C71 C72 -148.9(7) . . . . ?
Ir2 P4 C71 C72 -35.9(8) . . . . ?
C76 C71 C72 C73 -0.9(13) . . . . ?
P4 C71 C72 C73 -178.2(7) . . . . ?
C71 C72 C73 C74 -0.1(15) . . . . ?
C72 C73 C74 C75 1.7(17) . . . . ?
C73 C74 C75 C76 -2.3(17) . . . . ?
C72 C71 C76 C75 0.3(15) . . . . ?
P4 C71 C76 C75 177.6(8) . . . . ?
C74 C75 C76 C71 1.3(17) . . . . ?
