#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:11:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178552 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/59/4065993.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_4065993
loop_
_publ_author_name
'Yu, Wei-Bin'
'Han, Ying-Feng'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Cleavage of C−H Bonds for Building Tetranuclear Half-Sandwich
 Iridium Macrocycles with Ortho-Metalated Spacers
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2827
_journal_paper_doi               10.1021/om1002396
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C84 H116 Ir4 N4 O18'
_chemical_formula_weight         2238.61
_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                90.563(4)
_cell_angle_beta                 92.802(4)
_cell_angle_gamma                112.950(4)
_cell_formula_units_Z            1
_cell_length_a                   11.601(4)
_cell_length_b                   14.226(5)
_cell_length_c                   14.479(5)
_cell_measurement_reflns_used    6162
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      2.44
_cell_volume                     2196.7(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      203(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11730
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        3.28
_exptl_absorpt_coefficient_mu    6.105
_exptl_absorpt_correction_T_max  0.5804
_exptl_absorpt_correction_T_min  0.4062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.549
_refine_diff_density_min         -2.143
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         8394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                6504
_reflns_number_total             8394
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1002396_si_001.cif
_cod_data_source_block           f91027a
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2196.6(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065993
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
Ir1 Ir 0.29878(2) 0.571678(19) 0.354132(16) 0.01737(8) Uani 1 1 d .
Ir2 Ir 0.40560(3) 0.140132(19) 0.254871(16) 0.01900(8) Uani 1 1 d .
N1 N 0.3576(5) 0.4575(4) 0.3165(3) 0.0189(12) Uani 1 1 d .
N2 N 0.4009(5) 0.2829(4) 0.2739(3) 0.0201(12) Uani 1 1 d .
O1 O 0.4710(4) 0.6310(3) 0.4320(3) 0.0207(10) Uani 1 1 d .
O2 O 0.6736(5) 0.7310(4) 0.4303(3) 0.0295(12) Uani 1 1 d .
O3 O 0.4156(4) 0.7969(3) -0.3231(3) 0.0234(11) Uani 1 1 d .
O4 O 0.2136(5) 0.7517(4) -0.2998(3) 0.0292(12) Uani 1 1 d .
C1 C 0.4142(6) 0.6599(5) 0.2600(4) 0.0157(14) Uani 1 1 d .
C2 C 0.5394(6) 0.7141(5) 0.2932(4) 0.0207(15) Uani 1 1 d .
C3 C 0.6270(7) 0.7819(5) 0.2374(5) 0.0261(16) Uani 1 1 d .
H3 H 0.7099 0.8181 0.2609 0.031 Uiso 1 1 calc R
C4 C 0.5921(7) 0.7956(5) 0.1482(5) 0.0254(16) Uani 1 1 d .
H4 H 0.6510 0.8434 0.1120 0.030 Uiso 1 1 calc R
C5 C 0.4695(7) 0.7395(5) 0.1098(4) 0.0197(15) Uani 1 1 d .
C6 C 0.3850(7) 0.6709(5) 0.1668(4) 0.0199(15) Uani 1 1 d .
H6 H 0.3045 0.6301 0.1415 0.024 Uiso 1 1 calc R
C7 C 0.4855(7) 0.8037(5) -0.1451(4) 0.0190(14) Uani 1 1 d .
C8 C 0.3574(7) 0.7689(5) -0.1699(4) 0.0197(14) Uani 1 1 d .
C9 C 0.2680(7) 0.7298(5) -0.1047(4) 0.0250(16) Uani 1 1 d .
H9 H 0.1823 0.7085 -0.1222 0.030 Uiso 1 1 calc R
C10 C 0.3060(7) 0.7224(5) -0.0130(4) 0.0243(16) Uani 1 1 d .
H10 H 0.2456 0.6975 0.0313 0.029 Uiso 1 1 calc R
C11 C 0.4324(7) 0.7515(5) 0.0133(4) 0.0204(15) Uani 1 1 d .
C12 C 0.5203(7) 0.7921(5) -0.0531(4) 0.0210(15) Uani 1 1 d .
H12 H 0.6059 0.8125 -0.0356 0.025 Uiso 1 1 calc R
C13 C 0.5668(7) 0.6939(5) 0.3905(4) 0.0210(15) Uani 1 1 d .
C14 C 0.3226(7) 0.7725(5) -0.2702(4) 0.0236(16) Uani 1 1 d .
C15 C 0.4071(7) 0.4140(5) 0.3783(4) 0.0216(15) Uani 1 1 d .
H15 H 0.4278 0.4433 0.4385 0.026 Uiso 1 1 calc R
C16 C 0.4298(7) 0.3281(5) 0.3588(4) 0.0203(15) Uani 1 1 d .
H16 H 0.4658 0.3006 0.4053 0.024 Uiso 1 1 calc R
C17 C 0.3525(7) 0.3269(5) 0.2099(5) 0.0263(17) Uani 1 1 d .
H17 H 0.3321 0.2979 0.1497 0.032 Uiso 1 1 calc R
C18 C 0.3323(7) 0.4128(5) 0.2304(4) 0.0235(16) Uani 1 1 d .
H18 H 0.2997 0.4421 0.1834 0.028 Uiso 1 1 calc R
C19 C 0.1146(7) 0.4672(5) 0.4036(5) 0.0262(16) Uani 1 1 d .
C20 C 0.1708(7) 0.5481(5) 0.4700(5) 0.0245(16) Uani 1 1 d .
C21 C 0.1934(7) 0.6443(5) 0.4227(4) 0.0234(15) Uani 1 1 d .
C22 C 0.1441(7) 0.6178(6) 0.3281(5) 0.0275(17) Uani 1 1 d .
C23 C 0.1040(7) 0.5111(5) 0.3149(5) 0.0246(16) Uani 1 1 d .
C24 C 0.0790(8) 0.3570(5) 0.4200(5) 0.0371(19) Uani 1 1 d .
H24A H 0.1159 0.3488 0.4794 0.056 Uiso 1 1 calc R
H24B H 0.1094 0.3268 0.3714 0.056 Uiso 1 1 calc R
H24C H -0.0116 0.3233 0.4200 0.056 Uiso 1 1 calc R
C25 C 0.2039(7) 0.5411(6) 0.5689(4) 0.0302(17) Uani 1 1 d .
H25A H 0.1384 0.5449 0.6060 0.045 Uiso 1 1 calc R
H25B H 0.2826 0.5971 0.5868 0.045 Uiso 1 1 calc R
H25C H 0.2124 0.4767 0.5788 0.045 Uiso 1 1 calc R
C26 C 0.2469(8) 0.7499(5) 0.4673(5) 0.0319(18) Uani 1 1 d .
H26A H 0.2659 0.8004 0.4197 0.048 Uiso 1 1 calc R
H26B H 0.3230 0.7592 0.5040 0.048 Uiso 1 1 calc R
H26C H 0.1861 0.7581 0.5069 0.048 Uiso 1 1 calc R
C27 C 0.1347(8) 0.6921(6) 0.2579(5) 0.0343(19) Uani 1 1 d .
H27A H 0.1425 0.6681 0.1965 0.051 Uiso 1 1 calc R
H27B H 0.2014 0.7586 0.2712 0.051 Uiso 1 1 calc R
H27C H 0.0542 0.6976 0.2606 0.051 Uiso 1 1 calc R
C28 C 0.0372(7) 0.4505(6) 0.2279(5) 0.0336(18) Uani 1 1 d .
H28A H -0.0525 0.4312 0.2309 0.050 Uiso 1 1 calc R
H28B H 0.0550 0.3895 0.2226 0.050 Uiso 1 1 calc R
H28C H 0.0662 0.4919 0.1744 0.050 Uiso 1 1 calc R
C29 C 0.2210(7) 0.0543(5) 0.3151(5) 0.0259(16) Uani 1 1 d .
C30 C 0.2171(7) 0.0337(5) 0.2157(5) 0.0304(17) Uani 1 1 d .
C31 C 0.3051(7) -0.0142(5) 0.2006(5) 0.0265(16) Uani 1 1 d .
C32 C 0.3685(7) -0.0151(5) 0.2872(5) 0.0266(16) Uani 1 1 d .
C33 C 0.3129(7) 0.0245(5) 0.3584(5) 0.0238(16) Uani 1 1 d .
C34 C 0.1470(8) 0.1042(6) 0.3625(6) 0.039(2) Uani 1 1 d .
H34A H 0.0703 0.0522 0.3827 0.058 Uiso 1 1 calc R
H34B H 0.1265 0.1483 0.3198 0.058 Uiso 1 1 calc R
H34C H 0.1962 0.1445 0.4157 0.058 Uiso 1 1 calc R
C35 C 0.1245(8) 0.0443(6) 0.1440(6) 0.043(2) Uani 1 1 d .
H35A H 0.1629 0.0597 0.0850 0.065 Uiso 1 1 calc R
H35B H 0.1000 0.0991 0.1630 0.065 Uiso 1 1 calc R
H35C H 0.0509 -0.0192 0.1378 0.065 Uiso 1 1 calc R
C36 C 0.3230(8) -0.0546(5) 0.1099(5) 0.0358(19) Uani 1 1 d .
H36A H 0.4063 -0.0552 0.1102 0.054 Uiso 1 1 calc R
H36B H 0.3134 -0.0115 0.0612 0.054 Uiso 1 1 calc R
H36C H 0.2609 -0.1236 0.0991 0.054 Uiso 1 1 calc R
C37 C 0.4702(8) -0.0551(6) 0.3027(5) 0.0359(19) Uani 1 1 d .
H37A H 0.4346 -0.1234 0.3264 0.054 Uiso 1 1 calc R
H37B H 0.5339 -0.0106 0.3472 0.054 Uiso 1 1 calc R
H37C H 0.5078 -0.0569 0.2447 0.054 Uiso 1 1 calc R
C38 C 0.3550(8) 0.0376(6) 0.4590(5) 0.0335(19) Uani 1 1 d .
H38A H 0.3313 0.0889 0.4876 0.050 Uiso 1 1 calc R
H38B H 0.4454 0.0592 0.4653 0.050 Uiso 1 1 calc R
H38C H 0.3155 -0.0268 0.4893 0.050 Uiso 1 1 calc R
C39 C 0.8244(10) 0.0601(8) 0.1937(11) 0.096(5) Uani 1 1 d .
C40 C 0.0410(12) 0.1616(8) 0.6388(10) 0.099(5) Uani 1 1 d .
C41 C 0.030(3) 0.214(2) 0.000(2) 0.247(14) Uiso 1 1 d .
C42 C 0.1901(15) 0.3935(18) 0.8163(14) 0.142(9) Uani 1 1 d .
O5 O 0.9196(5) 0.1612(4) 0.2139(4) 0.0502(16) Uani 1 1 d .
O6 O 0.1302(7) 0.2693(6) 0.6592(5) 0.075(2) Uani 1 1 d .
O7 O 0.0768(13) 0.2732(8) 0.0678(8) 0.149(5) Uani 1 1 d .
O8 O 0.289(2) 0.4656(16) 0.8112(11) 0.262(11) Uani 1 1 d .
O9 O 0.9610(11) 0.5767(9) 0.0277(6) 0.143(4) Uani 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'
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'
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
C1 Ir1 N1 87.3(2) . .
C1 Ir1 O1 78.7(2) . .
N1 Ir1 O1 83.95(19) . .
C1 Ir1 C23 116.0(3) . .
N1 Ir1 C23 104.4(2) . .
O1 Ir1 C23 163.0(2) . .
C1 Ir1 C21 114.0(2) . .
N1 Ir1 C21 158.6(2) . .
O1 Ir1 C21 101.5(2) . .
C23 Ir1 C21 65.5(3) . .
C1 Ir1 C22 98.0(3) . .
N1 Ir1 C22 140.3(2) . .
O1 Ir1 C22 135.7(2) . .
C23 Ir1 C22 38.5(3) . .
C21 Ir1 C22 39.2(2) . .
C1 Ir1 C19 154.7(3) . .
N1 Ir1 C19 95.8(2) . .
O1 Ir1 C19 126.6(2) . .
C23 Ir1 C19 38.9(3) . .
C21 Ir1 C19 64.2(3) . .
C22 Ir1 C19 64.0(3) . .
C1 Ir1 C20 152.5(2) . .
N1 Ir1 C20 119.8(2) . .
O1 Ir1 C20 98.6(2) . .
C23 Ir1 C20 64.4(3) . .
C21 Ir1 C20 39.2(2) . .
C22 Ir1 C20 64.6(3) . .
C19 Ir1 C20 37.0(2) . .
C7 Ir2 N2 88.1(2) 2_665 .
C7 Ir2 O3 79.5(2) 2_665 2_665
N2 Ir2 O3 86.0(2) . 2_665
C7 Ir2 C32 116.1(2) 2_665 .
N2 Ir2 C32 155.7(2) . .
O3 Ir2 C32 96.1(2) 2_665 .
C7 Ir2 C30 114.0(3) 2_665 .
N2 Ir2 C30 107.9(3) . .
O3 Ir2 C30 160.4(2) 2_665 .
C32 Ir2 C30 65.5(3) . .
C7 Ir2 C31 97.8(2) 2_665 .
N2 Ir2 C31 145.8(3) . .
O3 Ir2 C31 128.3(2) 2_665 .
C32 Ir2 C31 38.7(3) . .
C30 Ir2 C31 39.3(3) . .
C7 Ir2 C33 155.0(2) 2_665 .
N2 Ir2 C33 116.6(2) . .
O3 Ir2 C33 97.6(2) 2_665 .
C32 Ir2 C33 39.1(2) . .
C30 Ir2 C33 64.1(3) . .
C31 Ir2 C33 64.3(2) . .
C7 Ir2 C29 152.0(3) 2_665 .
N2 Ir2 C29 95.4(2) . .
O3 Ir2 C29 128.4(2) 2_665 .
C32 Ir2 C29 64.4(3) . .
C30 Ir2 C29 38.7(3) . .
C31 Ir2 C29 64.5(3) . .
C33 Ir2 C29 37.0(3) . .
C15 N1 C18 115.5(5) . .
C15 N1 Ir1 121.6(4) . .
C18 N1 Ir1 122.3(4) . .
C17 N2 C16 116.9(5) . .
C17 N2 Ir2 123.4(4) . .
C16 N2 Ir2 118.9(4) . .
C13 O1 Ir1 116.6(4) . .
C14 O3 Ir2 115.5(4) . 2_665
C6 C1 C2 116.9(6) . .
C6 C1 Ir1 128.0(5) . .
C2 C1 Ir1 115.1(4) . .
C3 C2 C1 121.1(6) . .
C3 C2 C13 124.4(6) . .
C1 C2 C13 114.5(6) . .
C4 C3 C2 120.0(7) . .
C3 C4 C5 121.4(7) . .
C6 C5 C4 117.2(6) . .
C6 C5 C11 121.1(6) . .
C4 C5 C11 121.7(6) . .
C5 C6 C1 123.2(6) . .
C8 C7 C12 117.4(6) . .
C8 C7 Ir2 112.5(4) . 2_665
C12 C7 Ir2 130.0(5) . 2_665
C9 C8 C7 121.3(6) . .
C9 C8 C14 122.3(6) . .
C7 C8 C14 116.3(6) . .
C8 C9 C10 119.7(7) . .
C11 C10 C9 120.7(7) . .
C10 C11 C12 118.4(6) . .
C10 C11 C5 119.5(6) . .
C12 C11 C5 122.1(6) . .
C11 C12 C7 122.4(7) . .
O2 C13 O1 121.3(6) . .
O2 C13 C2 123.6(6) . .
O1 C13 C2 115.1(6) . .
O4 C14 O3 123.1(6) . .
O4 C14 C8 122.6(7) . .
O3 C14 C8 114.3(6) . .
N1 C15 C16 123.2(6) . .
N2 C16 C15 120.7(6) . .
N2 C17 C18 121.4(6) . .
N1 C18 C17 122.3(6) . .
C20 C19 C23 108.2(6) . .
C20 C19 C24 126.1(7) . .
C23 C19 C24 125.6(6) . .
C20 C19 Ir1 71.6(4) . .
C23 C19 Ir1 66.6(4) . .
C24 C19 Ir1 124.9(5) . .
C19 C20 C21 107.5(6) . .
C19 C20 C25 127.9(7) . .
C21 C20 C25 124.6(6) . .
C19 C20 Ir1 71.4(4) . .
C21 C20 Ir1 67.4(4) . .
C25 C20 Ir1 125.9(5) . .
C22 C21 C20 107.2(6) . .
C22 C21 C26 126.5(6) . .
C20 C21 C26 126.1(6) . .
C22 C21 Ir1 70.6(4) . .
C20 C21 Ir1 73.4(4) . .
C26 C21 Ir1 125.6(5) . .
C23 C22 C21 108.1(6) . .
C23 C22 C27 126.7(6) . .
C21 C22 C27 125.1(6) . .
C23 C22 Ir1 69.5(4) . .
C21 C22 Ir1 70.3(4) . .
C27 C22 Ir1 127.1(5) . .
C22 C23 C19 108.6(6) . .
C22 C23 C28 125.4(6) . .
C19 C23 C28 125.0(6) . .
C22 C23 Ir1 72.0(4) . .
C19 C23 Ir1 74.5(4) . .
C28 C23 Ir1 128.7(5) . .
C33 C29 C30 108.0(6) . .
C33 C29 C34 125.7(7) . .
C30 C29 C34 126.2(7) . .
C33 C29 Ir2 71.0(4) . .
C30 C29 Ir2 67.9(4) . .
C34 C29 Ir2 123.9(5) . .
C31 C30 C29 107.4(6) . .
C31 C30 C35 125.8(7) . .
C29 C30 C35 126.1(7) . .
C31 C30 Ir2 70.4(4) . .
C29 C30 Ir2 73.4(4) . .
C35 C30 Ir2 128.9(5) . .
C32 C31 C30 107.9(6) . .
C32 C31 C36 127.2(7) . .
C30 C31 C36 124.9(7) . .
C32 C31 Ir2 69.8(4) . .
C30 C31 Ir2 70.3(4) . .
C36 C31 Ir2 125.6(5) . .
C31 C32 C33 108.0(6) . .
C31 C32 C37 125.7(6) . .
C33 C32 C37 126.2(6) . .
C31 C32 Ir2 71.5(4) . .
C33 C32 Ir2 73.5(4) . .
C37 C32 Ir2 123.1(5) . .
C29 C33 C32 108.4(6) . .
C29 C33 C38 126.8(6) . .
C32 C33 C38 124.6(6) . .
C29 C33 Ir2 72.0(4) . .
C32 C33 Ir2 67.4(4) . .
C38 C33 Ir2 122.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 2.032(6) .
Ir1 N1 2.070(5) .
Ir1 O1 2.103(5) .
Ir1 C23 2.125(7) .
Ir1 C21 2.153(6) .
Ir1 C22 2.157(7) .
Ir1 C19 2.232(7) .
Ir1 C20 2.235(7) .
Ir2 C7 2.048(7) 2_665
Ir2 N2 2.069(5) .
Ir2 O3 2.101(5) 2_665
Ir2 C32 2.140(6) .
Ir2 C30 2.162(8) .
Ir2 C31 2.163(7) .
Ir2 C33 2.222(7) .
Ir2 C29 2.236(7) .
N1 C15 1.322(8) .
N1 C18 1.359(7) .
N2 C17 1.342(8) .
N2 C16 1.346(7) .
O1 C13 1.303(8) .
O2 C13 1.250(8) .
O3 C14 1.289(9) .
O3 Ir2 2.101(5) 2_665
O4 C14 1.234(8) .
C1 C6 1.399(8) .
C1 C2 1.410(9) .
C2 C3 1.395(10) .
C2 C13 1.484(9) .
C3 C4 1.373(9) .
C4 C5 1.413(9) .
C5 C6 1.394(9) .
C5 C11 1.473(8) .
C7 C8 1.398(10) .
C7 C12 1.402(8) .
C7 Ir2 2.048(7) 2_665
C8 C9 1.390(10) .
C8 C14 1.496(8) .
C9 C10 1.396(9) .
C10 C11 1.392(10) .
C11 C12 1.395(9) .
C15 C16 1.377(8) .
C17 C18 1.363(8) .
C19 C20 1.416(9) .
C19 C23 1.454(10) .
C19 C24 1.482(10) .
C20 C21 1.473(9) .
C20 C25 1.479(9) .
C21 C22 1.445(9) .
C21 C26 1.507(9) .
C22 C23 1.412(9) .
C22 C27 1.504(9) .
C23 C28 1.515(9) .
C29 C33 1.415(10) .
C29 C30 1.460(10) .
C29 C34 1.495(10) .
C30 C31 1.454(10) .
C30 C35 1.510(10) .
C31 C32 1.425(9) .
C31 C36 1.484(9) .
C32 C33 1.461(9) .
C32 C37 1.505(10) .
C33 C38 1.500(9) .
C39 O5 1.448(11) .
C40 O6 1.493(12) .
C41 O7 1.25(3) .
C42 O8 1.21(3) .
