#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:44:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178627 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/38/4073864.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_4073864
loop_
_publ_author_name
'Han, Ying-Feng'
'Lin, Yue-Jian'
'Jia, Wei-Guo'
'Weng, Lin-Hong'
'Jin, Guo-Xin'
_publ_section_title
;
 Stepwise Formation of Tetra- and Hexanuclear Iridium and Rhodium
 Complexes Containing Oxalato Ligands
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5848
_journal_paper_doi               10.1021/om700691u
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C70 H84 Cl4 F12 Ir4 N4 O22 S4'
_chemical_formula_weight         2600.25
_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                95.394(12)
_cell_angle_beta                 111.274(10)
_cell_angle_gamma                116.316(9)
_cell_formula_units_Z            1
_cell_length_a                   12.685(10)
_cell_length_b                   14.250(11)
_cell_length_c                   15.672(12)
_cell_measurement_reflns_used    840
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.360
_cell_measurement_theta_min      2.897
_cell_volume                     2253(3)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.899
_diffrn_measured_fraction_theta_max 0.899
_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  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0920
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9948
_diffrn_reflns_theta_full        27.24
_diffrn_reflns_theta_max         27.24
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        5.85
_exptl_absorpt_coefficient_mu    6.191
_exptl_absorpt_correction_T_max  0.5764
_exptl_absorpt_correction_T_min  0.3707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.579
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.826
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         9069
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1100
_reflns_number_gt                5088
_reflns_number_total             9069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700691u-file002.cif
_cod_data_source_block           f70327c
_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_sg_symbol_H-M      P-1
_cod_database_code               4073864
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 0.53571(3) 0.74586(3) 0.09218(2) 0.05002(12) Uani 1 1 d .
Ir2 Ir 1.02166(3) 0.81631(3) 0.34815(2) 0.04973(12) Uani 1 1 d .
N1 N 0.6678(7) 0.8314(6) 0.0364(5) 0.0501(18) Uani 1 1 d .
N2 N 0.9449(7) 1.1075(6) -0.2435(5) 0.0517(18) Uani 1 1 d .
O1 O 0.6432(6) 0.6621(5) 0.1237(4) 0.0512(15) Uani 1 1 d .
O2 O 0.7020(6) 0.8550(5) 0.2292(4) 0.0549(16) Uani 1 1 d .
O3 O 0.8393(6) 0.6920(5) 0.2263(4) 0.0506(15) Uani 1 1 d .
O4 O 0.8923(6) 0.8793(5) 0.3338(4) 0.0580(17) Uani 1 1 d .
O5 O 0.1312(15) 0.3006(12) 0.1492(11) 0.207(7) Uani 1 1 d .
O6 O 0.0988(15) 0.4538(9) 0.1641(9) 0.193(6) Uani 1 1 d .
O7 O -0.0813(13) 0.2754(11) 0.0703(9) 0.172(5) Uani 1 1 d .
O8 O 0.0481(12) 0.6159(10) 0.0880(7) 0.160(4) Uani 1 1 d .
S1 S 0.0504(5) 0.3424(3) 0.1524(3) 0.1097(12) Uani 1 1 d .
F1 F -0.0490(12) 0.3430(10) 0.2663(9) 0.201(5) Uani 1 1 d .
F2 F 0.152(2) 0.380(2) 0.3271(10) 0.381(16) Uani 1 1 d .
F3 F -0.020(2) 0.2172(14) 0.2410(10) 0.281(9) Uani 1 1 d .
Cl1 Cl 0.4057(11) 0.4363(13) 0.6946(10) 0.484(11) Uani 1 1 d .
Cl2 Cl 0.398(2) 0.3505(15) 0.5424(10) 0.517(12) Uani 1 1 d .
C1 C 0.7570(10) 0.7213(8) 0.1988(6) 0.055(2) Uani 1 1 d .
C2 C 0.7831(9) 0.8249(8) 0.2575(6) 0.047(2) Uani 1 1 d .
C3 C 0.7358(9) 0.9390(8) 0.0601(6) 0.059(2) Uani 1 1 d .
H3 H 0.7378 0.9790 0.1117 0.071 Uiso 1 1 calc R
C4 C 0.8033(10) 0.9959(8) 0.0144(6) 0.064(3) Uani 1 1 d .
H4 H 0.8507 1.0724 0.0353 0.077 Uiso 1 1 calc R
C5 C 0.8010(8) 0.9408(7) -0.0614(6) 0.047(2) Uani 1 1 d .
C6 C 0.7322(10) 0.8274(8) -0.0851(7) 0.064(3) Uani 1 1 d .
H6 H 0.7270 0.7855 -0.1374 0.076 Uiso 1 1 calc R
C7 C 0.6730(10) 0.7773(8) -0.0337(7) 0.064(3) Uani 1 1 d .
H7 H 0.6340 0.7014 -0.0479 0.077 Uiso 1 1 calc R
C8 C 0.8994(10) 0.9983(8) -0.2576(7) 0.067(3) Uani 1 1 d .
H8 H 0.8953 0.9585 -0.3105 0.080 Uiso 1 1 calc R
C9 C 0.8605(9) 0.9458(8) -0.1990(7) 0.061(3) Uani 1 1 d .
H9 H 0.8320 0.8713 -0.2114 0.073 Uiso 1 1 calc R
C10 C 0.8615(9) 0.9988(8) -0.1211(6) 0.058(2) Uani 1 1 d .
C11 C 0.9125(10) 1.1112(8) -0.1056(6) 0.066(3) Uani 1 1 d .
H11 H 0.9173 1.1533 -0.0536 0.079 Uiso 1 1 calc R
C12 C 0.9550(9) 1.1590(8) -0.1666(7) 0.061(3) Uani 1 1 d .
H12 H 0.9945 1.2350 -0.1515 0.074 Uiso 1 1 calc R
C13 C 0.3461(9) 0.6459(9) -0.0288(7) 0.063(3) Uani 1 1 d .
C14 C 0.3482(9) 0.6040(8) 0.0529(8) 0.065(3) Uani 1 1 d .
C15 C 0.3709(10) 0.6901(10) 0.1293(9) 0.076(3) Uani 1 1 d .
C16 C 0.3920(9) 0.7866(9) 0.1009(8) 0.074(3) Uani 1 1 d .
C17 C 0.3738(10) 0.7585(10) -0.0010(9) 0.087(4) Uani 1 1 d .
C18 C 0.3051(12) 0.5842(10) -0.1281(8) 0.104(4) Uani 1 1 d .
H18A H 0.3707 0.5676 -0.1279 0.156 Uiso 1 1 calc R
H18B H 0.2960 0.6282 -0.1699 0.156 Uiso 1 1 calc R
H18C H 0.2222 0.5171 -0.1506 0.156 Uiso 1 1 calc R
C19 C 0.3169(10) 0.4929(9) 0.0483(8) 0.084(3) Uani 1 1 d .
H19A H 0.2229 0.4444 0.0159 0.126 Uiso 1 1 calc R
H19B H 0.3511 0.4881 0.1123 0.126 Uiso 1 1 calc R
H19C H 0.3559 0.4721 0.0138 0.126 Uiso 1 1 calc R
C20 C 0.3797(11) 0.6819(11) 0.2255(9) 0.105(4) Uani 1 1 d .
H20A H 0.4141 0.7532 0.2669 0.157 Uiso 1 1 calc R
H20B H 0.4372 0.6547 0.2530 0.157 Uiso 1 1 calc R
H20C H 0.2934 0.6324 0.2186 0.157 Uiso 1 1 calc R
C21 C 0.4301(11) 0.8953(10) 0.1534(9) 0.107(5) Uani 1 1 d .
H21A H 0.3534 0.8950 0.1512 0.160 Uiso 1 1 calc R
H21B H 0.4703 0.9481 0.1246 0.160 Uiso 1 1 calc R
H21C H 0.4920 0.9144 0.2191 0.160 Uiso 1 1 calc R
C22 C 0.3861(13) 0.8356(11) -0.0612(9) 0.123(5) Uani 1 1 d .
H22A H 0.3755 0.8006 -0.1215 0.184 Uiso 1 1 calc R
H22B H 0.4715 0.9014 -0.0278 0.184 Uiso 1 1 calc R
H22C H 0.3190 0.8541 -0.0726 0.184 Uiso 1 1 calc R
C23 C 1.1151(12) 0.7271(9) 0.3959(7) 0.071(3) Uani 1 1 d .
C24 C 1.2142(11) 0.8401(11) 0.4183(7) 0.080(3) Uani 1 1 d .
C25 C 1.2005(10) 0.9069(9) 0.4817(6) 0.066(3) Uani 1 1 d .
C26 C 1.0944(11) 0.8324(9) 0.5001(6) 0.072(3) Uani 1 1 d .
C27 C 1.0461(11) 0.7229(9) 0.4476(7) 0.071(3) Uani 1 1 d .
C28 C 1.0996(14) 0.6275(12) 0.3335(8) 0.128(6) Uani 1 1 d .
H28A H 1.1531 0.6026 0.3732 0.192 Uiso 1 1 calc R
H28B H 1.1272 0.6482 0.2853 0.192 Uiso 1 1 calc R
H28C H 1.0088 0.5693 0.3029 0.192 Uiso 1 1 calc R
C29 C 1.3164(11) 0.8766(12) 0.3821(9) 0.114(5) Uani 1 1 d .
H29A H 1.3486 0.9522 0.3842 0.171 Uiso 1 1 calc R
H29B H 1.2776 0.8320 0.3171 0.171 Uiso 1 1 calc R
H29C H 1.3883 0.8689 0.4219 0.171 Uiso 1 1 calc R
C30 C 1.2875(12) 1.0282(10) 0.5247(8) 0.107(4) Uani 1 1 d .
H30A H 1.3617 1.0453 0.5836 0.160 Uiso 1 1 calc R
H30B H 1.2389 1.0587 0.5375 0.160 Uiso 1 1 calc R
H30C H 1.3182 1.0590 0.4806 0.160 Uiso 1 1 calc R
C31 C 1.0470(14) 0.8685(11) 0.5637(8) 0.110(5) Uani 1 1 d .
H31A H 0.9803 0.8051 0.5686 0.165 Uiso 1 1 calc R
H31B H 1.0107 0.9115 0.5368 0.165 Uiso 1 1 calc R
H31C H 1.1196 0.9122 0.6264 0.165 Uiso 1 1 calc R
C32 C 0.9357(14) 0.6178(12) 0.4489(10) 0.140(6) Uani 1 1 d .
H32A H 0.8544 0.5926 0.3927 0.210 Uiso 1 1 calc R
H32B H 0.9254 0.6335 0.5054 0.210 Uiso 1 1 calc R
H32C H 0.9584 0.5619 0.4495 0.210 Uiso 1 1 calc R
C33 C 0.040(3) 0.3280(17) 0.254(3) 0.254(19) Uani 1 1 d .
C34 C 0.475(4) 0.479(3) 0.618(3) 0.43(4) Uani 1 1 d .
H34A H 0.4485 0.5264 0.5872 0.519 Uiso 1 1 calc R
H34B H 0.5699 0.5144 0.6497 0.519 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N1 Ir1 C13 106.1(3) . .
N1 Ir1 C14 142.5(3) . .
C13 Ir1 C14 40.0(4) . .
N1 Ir1 C17 97.0(4) . .
C13 Ir1 C17 40.1(4) . .
C14 Ir1 C17 67.0(4) . .
N1 Ir1 O1 83.4(3) . .
C13 Ir1 O1 111.9(3) . .
C14 Ir1 O1 95.2(3) . .
C17 Ir1 O1 151.0(4) . .
N1 Ir1 O2 83.7(3) . .
C13 Ir1 O2 166.6(3) . .
C14 Ir1 O2 132.8(3) . .
C17 Ir1 O2 131.2(4) . .
O1 Ir1 O2 77.7(2) . .
N1 Ir1 C16 123.2(4) . .
C13 Ir1 C16 67.9(4) . .
C14 Ir1 C16 67.0(4) . .
C17 Ir1 C16 41.0(4) . .
O1 Ir1 C16 153.1(4) . .
O2 Ir1 C16 99.2(3) . .
N1 Ir1 C15 160.7(4) . .
C13 Ir1 C15 66.2(4) . .
C14 Ir1 C15 39.8(4) . .
C17 Ir1 C15 65.5(5) . .
O1 Ir1 C15 115.8(4) . .
O2 Ir1 C15 101.6(3) . .
C16 Ir1 C15 37.9(4) . .
C23 Ir2 N2 118.3(4) . 2_775
C23 Ir2 C24 39.7(4) . .
N2 Ir2 C24 95.3(4) 2_775 .
C23 Ir2 O4 157.7(4) . .
N2 Ir2 O4 83.9(2) 2_775 .
C24 Ir2 O4 148.6(4) . .
C23 Ir2 C25 65.9(4) . .
N2 Ir2 C25 107.8(4) 2_775 .
C24 Ir2 C25 38.7(4) . .
O4 Ir2 C25 111.7(3) . .
C23 Ir2 O3 102.0(3) . .
N2 Ir2 O3 83.5(3) 2_775 .
C24 Ir2 O3 134.5(4) . .
O4 Ir2 O3 76.7(2) . .
C25 Ir2 O3 166.2(3) . .
C23 Ir2 C26 64.4(4) . .
N2 Ir2 C26 145.5(4) 2_775 .
C24 Ir2 C26 64.5(4) . .
O4 Ir2 C26 99.2(3) . .
C25 Ir2 C26 39.1(4) . .
O3 Ir2 C26 130.8(4) . .
C23 Ir2 C27 37.6(4) . .
N2 Ir2 C27 155.9(4) 2_775 .
C24 Ir2 C27 64.4(4) . .
O4 Ir2 C27 120.3(4) . .
C25 Ir2 C27 65.2(4) . .
O3 Ir2 C27 101.3(3) . .
C26 Ir2 C27 38.4(4) . .
C3 N1 C7 116.1(8) . .
C3 N1 Ir1 122.9(6) . .
C7 N1 Ir1 120.4(6) . .
C12 N2 C8 115.6(8) . .
C12 N2 Ir2 122.1(7) . 2_775
C8 N2 Ir2 122.0(6) . 2_775
C1 O1 Ir1 112.2(6) . .
C2 O2 Ir1 112.6(6) . .
C1 O3 Ir2 112.5(6) . .
C2 O4 Ir2 113.5(5) . .
O6 S1 O5 118.2(9) . .
O6 S1 O7 111.1(9) . .
O5 S1 O7 110.3(9) . .
O6 S1 C33 103.6(9) . .
O5 S1 C33 103.3(13) . .
O7 S1 C33 109.5(12) . .
O3 C1 O1 123.1(9) . .
O3 C1 C2 119.8(8) . .
O1 C1 C2 117.0(8) . .
O2 C2 O4 123.8(8) . .
O2 C2 C1 119.7(8) . .
O4 C2 C1 116.4(8) . .
N1 C3 C4 124.5(9) . .
C5 C4 C3 119.4(9) . .
C4 C5 C6 116.3(8) . .
C4 C5 C10 121.8(9) . .
C6 C5 C10 121.8(8) . .
C7 C6 C5 120.7(9) . .
N1 C7 C6 122.7(9) . .
C9 C8 N2 122.8(9) . .
C8 C9 C10 121.6(10) . .
C9 C10 C11 114.9(9) . .
C9 C10 C5 123.6(9) . .
C11 C10 C5 121.2(8) . .
C12 C11 C10 119.6(9) . .
N2 C12 C11 125.1(9) . .
C14 C13 C17 107.8(9) . .
C14 C13 C18 127.9(10) . .
C17 C13 C18 123.9(11) . .
C14 C13 Ir1 70.1(5) . .
C17 C13 Ir1 70.2(6) . .
C18 C13 Ir1 131.6(7) . .
C19 C14 C13 122.5(10) . .
C19 C14 C15 129.8(11) . .
C13 C14 C15 107.4(9) . .
C19 C14 Ir1 128.3(7) . .
C13 C14 Ir1 69.9(5) . .
C15 C14 Ir1 72.4(6) . .
C16 C15 C14 110.5(10) . .
C16 C15 C20 123.8(11) . .
C14 C15 C20 125.5(11) . .
C16 C15 Ir1 70.6(6) . .
C14 C15 Ir1 67.8(5) . .
C20 C15 Ir1 125.5(8) . .
C15 C16 C21 131.4(12) . .
C15 C16 C17 105.9(9) . .
C21 C16 C17 122.6(12) . .
C15 C16 Ir1 71.5(6) . .
C21 C16 Ir1 122.5(7) . .
C17 C16 Ir1 67.9(5) . .
C13 C17 C22 126.6(12) . .
C13 C17 C16 108.3(10) . .
C22 C17 C16 125.0(12) . .
C13 C17 Ir1 69.7(6) . .
C22 C17 Ir1 123.7(9) . .
C16 C17 Ir1 71.2(5) . .
C27 C23 C24 108.6(9) . .
C27 C23 C28 125.8(12) . .
C24 C23 C28 125.3(12) . .
C27 C23 Ir2 73.5(6) . .
C24 C23 Ir2 70.9(6) . .
C28 C23 Ir2 126.6(7) . .
C25 C24 C23 108.3(10) . .
C25 C24 C29 127.5(12) . .
C23 C24 C29 124.1(12) . .
C25 C24 Ir2 71.6(6) . .
C23 C24 Ir2 69.4(6) . .
C29 C24 Ir2 126.6(8) . .
C24 C25 C26 106.2(10) . .
C24 C25 C30 125.0(11) . .
C26 C25 C30 128.6(10) . .
C24 C25 Ir2 69.7(5) . .
C26 C25 Ir2 70.9(5) . .
C30 C25 Ir2 127.7(8) . .
C27 C26 C25 108.3(9) . .
C27 C26 C31 127.7(11) . .
C25 C26 C31 124.0(11) . .
C27 C26 Ir2 70.9(5) . .
C25 C26 Ir2 70.0(5) . .
C31 C26 Ir2 124.6(8) . .
C23 C27 C26 108.5(10) . .
C23 C27 C32 125.9(11) . .
C26 C27 C32 125.6(11) . .
C23 C27 Ir2 68.9(6) . .
C26 C27 Ir2 70.7(5) . .
C32 C27 Ir2 126.4(8) . .
F2 C33 F1 113(3) . .
F2 C33 F3 112(4) . .
F1 C33 F3 97.6(16) . .
F2 C33 S1 112.3(18) . .
F1 C33 S1 116(3) . .
F3 C33 S1 105.2(18) . .
Cl2 C34 Cl1 94.8(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 N1 2.124(7) .
Ir1 C13 2.134(10) .
Ir1 C14 2.137(9) .
Ir1 C17 2.141(10) .
Ir1 O1 2.142(6) .
Ir1 O2 2.158(6) .
Ir1 C16 2.188(9) .
Ir1 C15 2.199(11) .
Ir2 C23 2.110(10) .
Ir2 N2 2.117(7) 2_775
Ir2 C24 2.130(11) .
Ir2 O4 2.151(6) .
Ir2 C25 2.155(9) .
Ir2 O3 2.159(6) .
Ir2 C26 2.166(8) .
Ir2 C27 2.169(10) .
N1 C3 1.312(11) .
N1 C7 1.320(10) .
N2 C12 1.283(10) .
N2 C8 1.360(11) .
N2 Ir2 2.117(7) 2_775
O1 C1 1.297(10) .
O2 C2 1.240(10) .
O3 C1 1.242(10) .
O4 C2 1.273(10) .
O5 S1 1.408(10) .
O6 S1 1.390(11) .
O7 S1 1.468(13) .
S1 C33 1.67(3) .
F1 C33 1.31(2) .
F2 C33 1.27(4) .
F3 C33 1.37(2) .
Cl1 C34 1.73(2) .
Cl2 C34 1.70(4) .
C1 C2 1.491(12) .
C3 C4 1.357(12) .
C4 C5 1.344(11) .
C5 C6 1.383(12) .
C5 C10 1.501(12) .
C6 C7 1.340(12) .
C8 C9 1.334(12) .
C9 C10 1.366(12) .
C10 C11 1.391(12) .
C11 C12 1.357(12) .
C13 C14 1.460(14) .
C13 C17 1.464(15) .
C13 C18 1.488(13) .
C14 C19 1.439(14) .
C14 C15 1.477(14) .
C15 C16 1.426(15) .
C15 C20 1.492(15) .
C16 C21 1.454(14) .
C16 C17 1.516(16) .
C17 C22 1.507(16) .
C23 C27 1.381(14) .
C23 C24 1.440(15) .
C23 C28 1.537(14) .
C24 C25 1.421(15) .
C24 C29 1.505(14) .
C25 C26 1.446(14) .
C25 C30 1.488(14) .
C26 C27 1.426(14) .
C26 C31 1.494(14) .
C27 C32 1.539(16) .
