#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:38:50 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256084 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/48/7704848.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_7704848
loop_
_publ_author_name
'Cherepakhin, Valeriy'
'Hellman, Ashley'
'Lan, Zhenzhuo'
'Mallikarjun Sharada, Shaama'
'Williams, Travis J.'
_publ_section_title
;
 Heterobimetallic complexes of IrM (M = FeII, CoII,
 and NiII) core and bridging 2-(diphenylphosphino)pyridine:
 electronic structure and electrochemical behavior.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10509
_journal_page_last               10515
_journal_paper_doi               10.1039/d0dt01801e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C37 H32 Cl7 Co Ir N2 O P2'
_chemical_formula_weight         1081.86
_chemical_name_common            IrCo_1
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-06-30 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.649(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.731(7)
_cell_length_b                   12.688(4)
_cell_length_c                   15.533(5)
_cell_measurement_reflns_used    9599
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      27.5453
_cell_measurement_theta_min      2.5186
_cell_volume                     4058(2)
_computing_cell_refinement       'APEX3 v2019.1-0 (Bruker AXS, 2019)'
_computing_data_collection
'Bruker Instrument Service v2012.12.0.3 (Bruker AXS, 2012)'
_computing_data_reduction        'SAINT V8.40A (Bruker AXS, 2013)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 958)'
_computing_publication_material  'SHELXTL XL 2018/3 (Bruker AXS, 2018)'
_computing_structure_refinement  'SHELXTL XL 2018/3 (Bruker AXS, 2018)'
_computing_structure_solution    'SHELXTL XT 2014/5 (Bruker AXS, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega- and phi-scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           'MoK\a '
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_av_unetI/netI     0.0789
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30888
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.89
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    4.258
_exptl_absorpt_correction_T_max  0.00
_exptl_absorpt_correction_T_min  0.00
_exptl_absorpt_correction_type   'Numerical Mu From Formula'
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS, 2016)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.497
_exptl_crystal_size_mid          0.494
_exptl_crystal_size_min          0.390
_refine_diff_density_max         3.992
_refine_diff_density_min         -1.083
_refine_ls_abs_structure_details
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.040(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         9186
_refine_ls_number_restraints     421
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0520P)²+43.4173P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                7574
_reflns_number_total             9186
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01801e2.cif
_cod_data_source_block           IrCo_1
_cod_depositor_comments
;Adding full bibliography for 7704847--7704849.cif.

 Adding full bibliography for 7704847--7704849.cif.
;
_cod_original_cell_volume        4058.(2)
_cod_database_code               7704848
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.3712(9) 0.8609(15) 0.5973(13) 0.048(4) Uani d . . . 1.0 . .
H H1 0.334891 0.822127 0.560507 0.058 Uiso calc U . R 1.0 . .
C C2 0.3629(11) 0.9282(16) 0.6642(14) 0.057(4) Uani d . . . 1.0 . .
H H2 0.321617 0.934205 0.672636 0.069 Uiso calc U . R 1.0 . .
C C3 0.4134(12) 0.9840(17) 0.7162(15) 0.060(5) Uani d . . . 1.0 . .
H H3 0.408924 1.028095 0.763308 0.073 Uiso calc U . R 1.0 . .
C C4 0.4738(10) 0.9760(15) 0.6995(13) 0.052(4) Uani d . . . 1.0 . .
H H4 0.510166 1.016309 0.734034 0.062 Uiso calc U . R 1.0 . .
C C5 0.4788(8) 0.9089(14) 0.6325(10) 0.042(3) Uani d . . . 1.0 . .
C C6 0.6209(8) 0.9400(12) 0.6983(11) 0.043(3) Uani d . . D 1.0 . .
C C7 0.6267(9) 1.0453(13) 0.7275(12) 0.051(4) Uani d . . D 1.0 . .
H H7 0.59533 1.095956 0.696047 0.061 Uiso calc U . R 1.0 . .
C C8 0.6782(9) 1.0751(15) 0.8021(12) 0.054(4) Uani d . . D 1.0 . .
H H8 0.681866 1.145852 0.823075 0.065 Uiso calc U . R 1.0 . .
C C9 0.7244(10) 1.0012(14) 0.8462(13) 0.053(4) Uani d . . D 1.0 . .
H H9 0.760482 1.02207 0.896466 0.064 Uiso calc U . R 1.0 . .
C C10 0.7186(9) 0.8997(14) 0.8184(12) 0.050(4) Uani d . . D 1.0 . .
H H10 0.750174 0.849678 0.850413 0.06 Uiso calc U . R 1.0 . .
C C11 0.6679(7) 0.8679(14) 0.7446(11) 0.044(3) Uani d . . D 1.0 . .
H H11 0.664911 0.796477 0.725263 0.053 Uiso calc U . R 1.0 . .
C C12 0.5457(9) 1.0049(14) 0.5217(14) 0.051(4) Uani d . . . 1.0 . .
C C13 0.4862(10) 1.0618(14) 0.4810(13) 0.050(4) Uani d . . . 1.0 . .
H H13 0.44828 1.044607 0.495867 0.061 Uiso calc U . R 1.0 . .
C C14 0.4851(11) 1.1421(16) 0.4198(14) 0.061(4) Uani d . . . 1.0 . .
H H14 0.446419 1.181763 0.394511 0.073 Uiso calc U . R 1.0 . .
C C15 0.5394(12) 1.1652(16) 0.3952(13) 0.061(4) Uani d . . . 1.0 . .
H H15 0.537323 1.218149 0.351183 0.073 Uiso calc U . R 1.0 . .
C C16 0.5957(13) 1.1119(17) 0.4342(15) 0.066(5) Uani d . . . 1.0 . .
H H16 0.632991 1.129503 0.417745 0.079 Uiso calc U . R 1.0 . .
C C17 0.6001(10) 1.0337(15) 0.4964(14) 0.052(4) Uani d . . . 1.0 . .
H H17 0.640275 0.998379 0.522884 0.062 Uiso calc U . R 1.0 . .
C C18 0.3834(10) 0.6145(16) 0.2950(12) 0.052(4) Uani d . . . 1.0 . .
H H18 0.346608 0.65799 0.288246 0.063 Uiso calc U . R 1.0 . .
C C19 0.3838(10) 0.5458(17) 0.2250(13) 0.056(5) Uani d . . . 1.0 . .
H H19 0.347811 0.545305 0.170569 0.067 Uiso calc U . R 1.0 . .
C C20 0.4344(10) 0.4796(16) 0.2330(12) 0.051(4) Uani d . . . 1.0 . .
H H20 0.434315 0.431475 0.18617 0.062 Uiso calc U . R 1.0 . .
C C21 0.4859(10) 0.4859(14) 0.3126(12) 0.050(4) Uani d . . . 1.0 . .
H H21 0.522732 0.442024 0.320618 0.06 Uiso calc U . R 1.0 . .
C C22 0.4847(8) 0.5529(13) 0.3791(11) 0.039(3) Uani d . . . 1.0 . .
C C23 0.5299(8) 0.4530(13) 0.5526(11) 0.047(4) Uani d . . D 1.0 . .
C C24 0.5757(10) 0.4204(13) 0.6328(11) 0.050(4) Uani d . . D 1.0 . .
H H24 0.617197 0.453148 0.652894 0.06 Uiso calc U . R 1.0 . .
C C25 0.5611(10) 0.3396(14) 0.6843(13) 0.056(4) Uani d . . D 1.0 . .
H H25 0.592734 0.317393 0.739042 0.067 Uiso calc U . R 1.0 . .
C C26 0.5008(9) 0.2917(15) 0.6559(13) 0.056(4) Uani d . . D 1.0 . .
H H26 0.491315 0.23529 0.689835 0.068 Uiso calc U . R 1.0 . .
C C27 0.4540(10) 0.3271(14) 0.5770(12) 0.055(4) Uani d . . D 1.0 . .
H H27 0.411799 0.29677 0.558002 0.067 Uiso calc U . R 1.0 . .
C C28 0.4695(9) 0.4072(13) 0.5260(12) 0.051(4) Uani d . . D 1.0 . .
H H28 0.43766 0.430519 0.471859 0.061 Uiso calc U . R 1.0 . .
C C29 0.6199(9) 0.5136(12) 0.4569(11) 0.046(3) Uani d . . D 1.0 . .
C C30 0.6563(10) 0.5858(16) 0.4270(15) 0.060(5) Uani d . . D 1.0 . .
H H30 0.646292 0.65878 0.426343 0.073 Uiso calc U . R 1.0 . .
C C31 0.7073(10) 0.5529(17) 0.3982(16) 0.067(5) Uani d . . D 1.0 . .
H H31 0.730596 0.603151 0.375314 0.08 Uiso calc U . R 1.0 . .
C C32 0.7246(11) 0.4483(17) 0.4022(16) 0.067(5) Uani d . . D 1.0 . .
H H32 0.760573 0.42649 0.384473 0.08 Uiso calc U . R 1.0 . .
C C33 0.6890(10) 0.3751(18) 0.4324(15) 0.067(5) Uani d . . D 1.0 . .
H H33 0.699351 0.302246 0.433422 0.08 Uiso calc U . R 1.0 . .
C C34 0.6381(10) 0.4085(14) 0.4612(15) 0.059(5) Uani d . . D 1.0 . .
H H34 0.615139 0.358118 0.484383 0.071 Uiso calc U . R 1.0 . .
C C35 0.5516(13) 0.7780(16) 0.4333(16) 0.041(5) Uani d . P D 0.806(17) A 1
O O1 0.5504(8) 0.8162(13) 0.3655(12) 0.042(4) Uani d . P D 0.806(17) A 1
C C35A 0.550(6) 0.701(6) 0.653(4) 0.041(5) Uani d . P D 0.194(17) A 2
O O1A 0.548(4) 0.656(5) 0.718(3) 0.042(4) Uani d . P D 0.194(17) A 2
Cl Cl1 0.5595(3) 0.6687(4) 0.6887(4) 0.0407(16) Uani d . P D 0.806(17) A 1
Cl Cl1A 0.5589(15) 0.799(2) 0.4008(17) 0.0407(16) Uani d . P D 0.194(17) A 2
Cl Cl2 0.3728(2) 0.8532(4) 0.3677(3) 0.0520(10) Uani d . . . 1.0 . .
Cl Cl3 0.3597(2) 0.6206(4) 0.5177(3) 0.0464(9) Uani d . . . 1.0 . .
Co Co1 0.42801(10) 0.73405(17) 0.47614(13) 0.0352(4) Uani d . . . 1.0 . .
Ir Ir1 0.55656(3) 0.73075(4) 0.54388(3) 0.03729(16) Uani d . . D 1.0 . .
N N1 0.4288(7) 0.8495(11) 0.5835(9) 0.042(3) Uani d . . . 1.0 . .
N N2 0.4343(7) 0.6201(12) 0.3717(10) 0.044(3) Uani d . . . 1.0 . .
P P1 0.5530(2) 0.8991(3) 0.5998(3) 0.0394(9) Uani d . . . 1.0 . .
P P2 0.5506(2) 0.5600(3) 0.4875(3) 0.0391(9) Uani d . . . 1.0 . .
C C36 0.2831(12) 0.334(2) 0.2040(18) 0.078(7) Uani d . . . 1.0 . .
H H36A 0.263993 0.404268 0.207808 0.093 Uiso calc U . R 1.0 . .
H H36B 0.312215 0.341442 0.166595 0.093 Uiso calc U . R 1.0 . .
Cl Cl4 0.3284(4) 0.2899(7) 0.3151(5) 0.093(2) Uani d . . . 1.0 . .
Cl Cl5 0.2205(3) 0.2431(6) 0.1524(6) 0.0845(19) Uani d . . . 1.0 . .
C C37 0.7798(12) 0.675(2) 0.6204(18) 0.073(6) Uani d . . . 1.0 . .
H H37A 0.821094 0.688316 0.669791 0.088 Uiso calc U . R 1.0 . .
H H37B 0.788859 0.624125 0.577908 0.088 Uiso calc U . R 1.0 . .
Cl Cl6 0.7248(3) 0.6191(5) 0.6671(4) 0.0747(15) Uani d . . . 1.0 . .
Cl Cl7 0.7542(4) 0.7927(6) 0.5628(5) 0.0870(19) Uani d . . . 1.0 . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 C1 C2 . . 122.1(18) ?
N1 C1 H1 . . 118.9 ?
C2 C1 H1 . . 118.9 ?
C3 C2 C1 . . 119.7(19) ?
C3 C2 H2 . . 120.1 ?
C1 C2 H2 . . 120.1 ?
C2 C3 C4 . . 118.6(18) ?
C2 C3 H3 . . 120.7 ?
C4 C3 H3 . . 120.7 ?
C5 C4 C3 . . 118.9(18) ?
C5 C4 H4 . . 120.5 ?
C3 C4 H4 . . 120.5 ?
N1 C5 C4 . . 122.1(17) ?
N1 C5 P1 . . 115.2(12) ?
C4 C5 P1 . . 122.6(15) ?
C11 C6 C7 . . 119.0(15) ?
C11 C6 P1 . . 120.6(12) ?
C7 C6 P1 . . 120.3(12) ?
C8 C7 C6 . . 119.7(17) ?
C8 C7 H7 . . 120.2 ?
C6 C7 H7 . . 120.2 ?
C7 C8 C9 . . 119.7(17) ?
C7 C8 H8 . . 120.2 ?
C9 C8 H8 . . 120.2 ?
C10 C9 C8 . . 120.6(18) ?
C10 C9 H9 . . 119.7 ?
C8 C9 H9 . . 119.7 ?
C9 C10 C11 . . 121.0(18) ?
C9 C10 H10 . . 119.5 ?
C11 C10 H10 . . 119.5 ?
C10 C11 C6 . . 120.0(16) ?
C10 C11 H11 . . 120.0 ?
C6 C11 H11 . . 120.0 ?
C17 C12 C13 . . 117.7(18) ?
C17 C12 P1 . . 119.1(14) ?
C13 C12 P1 . . 123.2(15) ?
C14 C13 C12 . . 119.(2) ?
C14 C13 H13 . . 120.5 ?
C12 C13 H13 . . 120.5 ?
C15 C14 C13 . . 121.(2) ?
C15 C14 H14 . . 119.5 ?
C13 C14 H14 . . 119.5 ?
C16 C15 C14 . . 120.(2) ?
C16 C15 H15 . . 120.0 ?
C14 C15 H15 . . 120.0 ?
C15 C16 C17 . . 122.(2) ?
C15 C16 H16 . . 119.2 ?
C17 C16 H16 . . 119.2 ?
C16 C17 C12 . . 121.(2) ?
C16 C17 H17 . . 119.6 ?
C12 C17 H17 . . 119.6 ?
N2 C18 C19 . . 121.1(18) ?
N2 C18 H18 . . 119.4 ?
C19 C18 H18 . . 119.4 ?
C20 C19 C18 . . 121.4(18) ?
C20 C19 H19 . . 119.3 ?
C18 C19 H19 . . 119.3 ?
C19 C20 C21 . . 116.6(18) ?
C19 C20 H20 . . 121.7 ?
C21 C20 H20 . . 121.7 ?
C22 C21 C20 . . 121.0(18) ?
C22 C21 H21 . . 119.5 ?
C20 C21 H21 . . 119.5 ?
C21 C22 N2 . . 122.8(16) ?
C21 C22 P2 . . 122.5(14) ?
N2 C22 P2 . . 114.7(12) ?
C28 C23 C24 . . 119.2(16) ?
C28 C23 P2 . . 121.8(12) ?
C24 C23 P2 . . 118.9(13) ?
C23 C24 C25 . . 120.2(18) ?
C23 C24 H24 . . 119.9 ?
C25 C24 H24 . . 119.9 ?
C26 C25 C24 . . 120.4(18) ?
C26 C25 H25 . . 119.8 ?
C24 C25 H25 . . 119.8 ?
C25 C26 C27 . . 119.3(18) ?
C25 C26 H26 . . 120.3 ?
C27 C26 H26 . . 120.3 ?
C26 C27 C28 . . 119.6(19) ?
C26 C27 H27 . . 120.2 ?
C28 C27 H27 . . 120.2 ?
C23 C28 C27 . . 121.3(17) ?
C23 C28 H28 . . 119.3 ?
C27 C28 H28 . . 119.3 ?
C30 C29 C34 . . 117.8(17) ?
C30 C29 P2 . . 118.9(13) ?
C34 C29 P2 . . 123.2(14) ?
C29 C30 C31 . . 120.7(19) ?
C29 C30 H30 . . 119.6 ?
C31 C30 H30 . . 119.6 ?
C32 C31 C30 . . 121.(2) ?
C32 C31 H31 . . 119.7 ?
C30 C31 H31 . . 119.7 ?
C31 C32 C33 . . 119.(2) ?
C31 C32 H32 . . 120.3 ?
C33 C32 H32 . . 120.3 ?
C32 C33 C34 . . 120.(2) ?
C32 C33 H33 . . 120.2 ?
C34 C33 H33 . . 120.2 ?
C33 C34 C29 . . 122.(2) ?
C33 C34 H34 . . 119.2 ?
C29 C34 H34 . . 119.2 ?
O1 C35 Ir1 . . 174.3(18) ?
O1A C35A Ir1 . . 162.(7) ?
N2 Co1 N1 . . 176.2(5) ?
N2 Co1 Cl2 . . 91.9(4) ?
N1 Co1 Cl2 . . 89.6(4) ?
N2 Co1 Cl3 . . 89.6(4) ?
N1 Co1 Cl3 . . 93.0(4) ?
Cl2 Co1 Cl3 . . 112.63(19) ?
N2 Co1 Ir1 . . 88.7(4) ?
N1 Co1 Ir1 . . 87.6(4) ?
Cl2 Co1 Ir1 . . 122.58(16) ?
Cl3 Co1 Ir1 . . 124.79(14) ?
C35A Ir1 P1 . . 79.(3) ?
C35 Ir1 P1 . . 93.0(6) ?
C35A Ir1 P2 . . 99.(3) ?
C35 Ir1 P2 . . 88.4(6) ?
P1 Ir1 P2 . . 174.86(18) ?
C35 Ir1 Cl1 . . 178.2(9) ?
P1 Ir1 Cl1 . . 86.80(17) ?
P2 Ir1 Cl1 . . 91.67(16) ?
C35A Ir1 Cl1A . . 170.(3) ?
P1 Ir1 Cl1A . . 91.5(6) ?
P2 Ir1 Cl1A . . 90.3(6) ?
C35A Ir1 Co1 . . 89.(4) ?
C35 Ir1 Co1 . . 83.2(8) ?
P1 Ir1 Co1 . . 88.67(13) ?
P2 Ir1 Co1 . . 86.58(13) ?
Cl1 Ir1 Co1 . . 94.99(15) ?
Cl1A Ir1 Co1 . . 87.6(7) ?
C5 N1 C1 . . 118.4(15) ?
C5 N1 Co1 . . 127.5(11) ?
C1 N1 Co1 . . 114.1(12) ?
C18 N2 C22 . . 116.9(15) ?
C18 N2 Co1 . . 117.4(13) ?
C22 N2 Co1 . . 125.7(11) ?
C12 P1 C6 . . 103.1(8) ?
C12 P1 C5 . . 104.0(9) ?
C6 P1 C5 . . 107.1(8) ?
C12 P1 Ir1 . . 116.4(7) ?
C6 P1 Ir1 . . 117.4(5) ?
C5 P1 Ir1 . . 107.6(6) ?
C29 P2 C22 . . 102.3(8) ?
C29 P2 C23 . . 105.9(8) ?
C22 P2 C23 . . 102.3(7) ?
C29 P2 Ir1 . . 116.7(6) ?
C22 P2 Ir1 . . 109.0(6) ?
C23 P2 Ir1 . . 118.5(6) ?
Cl5 C36 Cl4 . . 109.8(15) ?
Cl5 C36 H36A . . 109.7 ?
Cl4 C36 H36A . . 109.7 ?
Cl5 C36 H36B . . 109.7 ?
Cl4 C36 H36B . . 109.7 ?
H36A C36 H36B . . 108.2 ?
Cl7 C37 Cl6 . . 114.7(14) ?
Cl7 C37 H37A . . 108.6 ?
Cl6 C37 H37A . . 108.6 ?
Cl7 C37 H37B . . 108.6 ?
Cl6 C37 H37B . . 108.6 ?
H37A C37 H37B . . 107.6 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N1 . 1.34(2) ?
C1 C2 . 1.40(3) ?
C1 H1 . 0.95 ?
C2 C3 . 1.34(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.42(3) ?
C3 H3 . 0.95 ?
C4 C5 . 1.38(2) ?
C4 H4 . 0.95 ?
C5 N1 . 1.34(2) ?
C5 P1 . 1.843(18) ?
C6 C11 . 1.388(19) ?
C6 C7 . 1.404(19) ?
C6 P1 . 1.829(16) ?
C7 C8 . 1.382(19) ?
C7 H7 . 0.95 ?
C8 C9 . 1.38(2) ?
C8 H8 . 0.95 ?
C9 C10 . 1.35(2) ?
C9 H9 . 0.95 ?
C10 C11 . 1.373(19) ?
C10 H10 . 0.95 ?
C11 H11 . 0.95 ?
C12 C17 . 1.41(3) ?
C12 C13 . 1.44(2) ?
C12 P1 . 1.782(19) ?
C13 C14 . 1.39(3) ?
C13 H13 . 0.95 ?
C14 C15 . 1.38(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.36(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.37(3) ?
C16 H16 . 0.95 ?
C17 H17 . 0.95 ?
C18 N2 . 1.34(2) ?
C18 C19 . 1.40(3) ?
C18 H18 . 0.95 ?
C19 C20 . 1.36(3) ?
C19 H19 . 0.95 ?
C20 C21 . 1.38(3) ?
C20 H20 . 0.95 ?
C21 C22 . 1.34(2) ?
C21 H21 . 0.95 ?
C22 N2 . 1.37(2) ?
C22 P2 . 1.830(17) ?
C23 C28 . 1.37(2) ?
C23 C24 . 1.386(19) ?
C23 P2 . 1.833(17) ?
C24 C25 . 1.40(2) ?
C24 H24 . 0.95 ?
C25 C26 . 1.38(2) ?
C25 H25 . 0.95 ?
C26 C27 . 1.39(2) ?
C26 H26 . 0.95 ?
C27 C28 . 1.394(19) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 C30 . 1.39(2) ?
C29 C34 . 1.387(19) ?
C29 P2 . 1.816(18) ?
C30 C31 . 1.39(2) ?
C30 H30 . 0.95 ?
C31 C32 . 1.38(2) ?
C31 H31 . 0.95 ?
C32 C33 . 1.38(2) ?
C32 H32 . 0.95 ?
C33 C34 . 1.38(2) ?
C33 H33 . 0.95 ?
C34 H34 . 0.95 ?
C35 O1 . 1.15(3) ?
C35 Ir1 . 1.79(3) ?
C35A O1A . 1.17(4) ?
C35A Ir1 . 1.79(4) ?
Cl1 Ir1 . 2.365(5) ?
Cl1A Ir1 . 2.40(2) ?
Cl2 Co1 . 2.296(5) ?
Cl3 Co1 . 2.304(5) ?
Co1 N2 . 2.209(15) ?
Co1 N1 . 2.215(14) ?
Co1 Ir1 . 2.652(2) ?
Ir1 P1 . 2.316(4) ?
Ir1 P2 . 2.324(4) ?
C36 Cl5 . 1.77(2) ?
C36 Cl4 . 1.78(3) ?
C36 H36A . 0.99 ?
C36 H36B . 0.99 ?
C37 Cl7 . 1.73(3) ?
C37 Cl6 . 1.74(3) ?
C37 H37A . 0.99 ?
C37 H37B . 0.99 ?
