#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/78/7027816.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027816
loop_
_publ_author_name
'Kanematsu, Naohiro'
'Ebihara, Masahiro'
'Kawamura, Takashi'
_publ_section_title
;
 A one-step synthesis of an iridium(II) dinuclear complex. Preparation,
 structures and properties of
 bis(μ-acetato)dicarbonyldichlorodiiridium(II) complexes †
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4413
_journal_paper_doi               10.1039/a907776f
_journal_year                    1999
_chemical_formula_moiety         'C10 H12 Cl2 Ir2 N2 O6 '
_chemical_formula_sum            'C10 H12 Cl2 Ir2 N2 O6'
_chemical_formula_weight         711.56
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_date             'Sat Sep  4 18:15:48 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.681(1)
_cell_length_b                   11.324(2)
_cell_length_c                   9.807(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      12.5
_cell_volume                     1741.4(4)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.00430
_diffrn_orient_matrix_UB_12      -0.08770
_diffrn_orient_matrix_UB_13      -0.01016
_diffrn_orient_matrix_UB_21      -0.01460
_diffrn_orient_matrix_UB_22      -0.00994
_diffrn_orient_matrix_UB_23      0.09860
_diffrn_orient_matrix_UB_31      -0.06191
_diffrn_orient_matrix_UB_32      -0.00368
_diffrn_orient_matrix_UB_33      -0.02404
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.111
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2119
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0.44
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.640
_exptl_absorpt_correction_T_max  0.209
_exptl_absorpt_correction_T_min  0.131
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.30
_refine_diff_density_min         -2.03
_refine_ls_extinction_coef       0.0013(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2119
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.0070
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[σ²(Fo²) + 0.00090(Fo²)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                1621
_reflns_number_total             2119
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            907776fsup1.cif
_cod_data_source_block           '[Ir2(O2CMe)2Cl2(CO)2(MeCN)2]_2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_calc_flags' tag replaced with '_atom_site_calc_flag' tag
as specified in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_cell_volume        1741.6(3)
_cod_original_sg_symbol_H-M      'P n a 21     '
_cod_original_formula_sum        'C10 H12 Cl2 Ir2 N2 O6 '
_cod_database_code               7027816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-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_calc_flag
Ir(1) Ir 0.81038(4) -0.04383(6) 0.476(8) 0.0309(2) Uani 1.00 d
Ir(2) Ir 0.71521(5) 0.13463(7) 0.531(8) 0.0317(2) Uani 1.00 d
Cl(1) Cl 0.8945(3) -0.0263(6) 0.672(8) 0.053(2) Uani 1.00 d
Cl(2) Cl 0.5917(3) 0.0271(5) 0.578(8) 0.053(2) Uani 1.00 d
O(1) O 0.7439(8) -0.051(1) 0.296(8) 0.036(3) Uani 1.00 d
O(2) O 0.681(1) 0.124(1) 0.327(8) 0.047(4) Uani 1.00 d
O(3) O 0.8879(8) 0.083(1) 0.383(8) 0.037(4) Uani 1.00 d
O(4) O 0.8179(8) 0.235(1) 0.472(8) 0.045(4) Uani 1.00 d
O(5) O 0.7035(9) -0.220(2) 0.612(8) 0.065(6) Uani 1.00 d
O(6) O 0.756(1) 0.146(2) 0.825(8) 0.074(6) Uani 1.00 d
N(1) N 0.904(1) -0.169(2) 0.396(8) 0.046(5) Uani 1.00 d
N(2) N 0.650(1) 0.299(1) 0.534(8) 0.043(4) Uani 1.00 d
C(1) C 0.702(1) 0.032(2) 0.257(8) 0.031(4) Uani 1.00 d
C(2) C 0.659(1) 0.024(2) 0.119(8) 0.041(6) Uani 1.00 d
C(3) C 0.877(1) 0.189(2) 0.407(8) 0.037(5) Uani 1.00 d
C(4) C 0.945(1) 0.272(2) 0.342(8) 0.044(6) Uani 1.00 d
C(5) C 0.744(1) -0.154(2) 0.559(8) 0.047(7) Uani 1.00 d
C(6) C 0.739(1) 0.139(2) 0.710(8) 0.040(5) Uani 1.00 d
C(7) C 0.956(1) -0.223(2) 0.358(8) 0.039(6) Uani 1.00 d
C(8) C 1.032(1) -0.287(2) 0.305(8) 0.064(8) Uani 1.00 d
C(9) C 0.623(1) 0.391(1) 0.529(8) 0.031(4) Uani 1.00 d
C(10) C 0.596(1) 0.514(2) 0.535(8) 0.052(6) Uani 1.00 d
H(1) H 0.6268 0.0941 0.1014 0.0474 Uiso 1.00 calc
H(2) H 0.6195 -0.0418 0.1174 0.0474 Uiso 1.00 calc
H(3) H 0.6995 0.0131 0.0492 0.0474 Uiso 1.00 calc
H(4) H 0.9225 0.3083 0.2601 0.0528 Uiso 1.00 calc
H(5) H 0.9618 0.3335 0.4023 0.0528 Uiso 1.00 calc
H(6) H 0.9946 0.2281 0.3160 0.0528 Uiso 1.00 calc
H(7) H 1.0795 -0.2321 0.2918 0.0720 Uiso 1.00 calc
H(8) H 1.0504 -0.3476 0.3630 0.0720 Uiso 1.00 calc
H(9) H 1.0201 -0.3198 0.2160 0.0720 Uiso 1.00 calc
H(10) H 0.5669 0.5367 0.4513 0.0596 Uiso 1.00 calc
H(11) H 0.5581 0.5276 0.6084 0.0596 Uiso 1.00 calc
H(12) H 0.6441 0.5660 0.5443 0.0596 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ir Ir -1.444 7.990
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 -4 0
-1 -3 1
-2 -3 1
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ir(2) Ir(1) Cl(1) 95.1(2) 1_555 1_555 1_555 yes
Ir(2) Ir(1) O(1) 85.1(4) 1_555 1_555 1_555 yes
Ir(2) Ir(1) O(3) 83.7(4) 1_555 1_555 1_555 yes
Ir(2) Ir(1) N(1) 167.0(5) 1_555 1_555 1_555 yes
Ir(2) Ir(1) C(5) 96.4(6) 1_555 1_555 1_555 yes
Cl(1) Ir(1) O(1) 175.2(4) 1_555 1_555 1_555 yes
Cl(1) Ir(1) O(3) 88.5(5) 1_555 1_555 1_555 yes
Cl(1) Ir(1) N(1) 88.5(5) 1_555 1_555 1_555 yes
Cl(1) Ir(1) C(5) 90.8(8) 1_555 1_555 1_555 yes
O(1) Ir(1) O(3) 86.8(6) 1_555 1_555 1_555 yes
O(1) Ir(1) N(1) 90.2(6) 1_555 1_555 1_555 yes
O(1) Ir(1) C(5) 93.9(9) 1_555 1_555 1_555 yes
O(3) Ir(1) N(1) 84.0(6) 1_555 1_555 1_555 yes
O(3) Ir(1) C(5) 179.3(9) 1_555 1_555 1_555 yes
N(1) Ir(1) C(5) 96.0(8) 1_555 1_555 1_555 yes
Ir(1) Ir(2) Cl(2) 96.5(1) 1_555 1_555 1_555 yes
Ir(1) Ir(2) O(2) 84.4(4) 1_555 1_555 1_555 yes
Ir(1) Ir(2) O(4) 85.3(3) 1_555 1_555 1_555 yes
Ir(1) Ir(2) N(2) 166.5(6) 1_555 1_555 1_555 yes
Ir(1) Ir(2) C(6) 96.0(7) 1_555 1_555 1_555 yes
Cl(2) Ir(2) O(2) 87.2(5) 1_555 1_555 1_555 yes
Cl(2) Ir(2) O(4) 174.3(6) 1_555 1_555 1_555 yes
Cl(2) Ir(2) N(2) 93.0(5) 1_555 1_555 1_555 yes
Cl(2) Ir(2) C(6) 89.6(8) 1_555 1_555 1_555 yes
O(2) Ir(2) O(4) 87.7(7) 1_555 1_555 1_555 yes
O(2) Ir(2) N(2) 86.5(7) 1_555 1_555 1_555 yes
O(2) Ir(2) C(6) 176.7(10) 1_555 1_555 1_555 yes
O(4) Ir(2) N(2) 84.4(6) 1_555 1_555 1_555 yes
O(4) Ir(2) C(6) 95.6(10) 1_555 1_555 1_555 yes
N(2) Ir(2) C(6) 93.7(9) 1_555 1_555 1_555 yes
Ir(1) O(1) C(1) 121(1) 1_555 1_555 1_555 yes
Ir(2) O(2) C(1) 119(1) 1_555 1_555 1_555 yes
Ir(1) O(3) C(3) 120(1) 1_555 1_555 1_555 yes
Ir(2) O(4) C(3) 120(1) 1_555 1_555 1_555 yes
Ir(1) N(1) C(7) 173(1) 1_555 1_555 1_555 yes
Ir(2) N(2) C(9) 172(1) 1_555 1_555 1_555 yes
O(1) C(1) O(2) 126(1) 1_555 1_555 1_555 yes
O(1) C(1) C(2) 118(1) 1_555 1_555 1_555 yes
O(2) C(1) C(2) 114(1) 1_555 1_555 1_555 yes
C(1) C(2) H(1) 110(4) 1_555 1_555 1_555 no
C(1) C(2) H(2) 109(4) 1_555 1_555 1_555 no
C(1) C(2) H(3) 110(3) 1_555 1_555 1_555 no
H(1) C(2) H(2) 107(2) 1_555 1_555 1_555 no
H(1) C(2) H(3) 109(6) 1_555 1_555 1_555 no
H(2) C(2) H(3) 108(5) 1_555 1_555 1_555 no
O(3) C(3) O(4) 127(1) 1_555 1_555 1_555 yes
O(3) C(3) C(4) 114(1) 1_555 1_555 1_555 yes
O(4) C(3) C(4) 118(1) 1_555 1_555 1_555 yes
C(3) C(4) H(4) 110(1) 1_555 1_555 1_555 no
C(3) C(4) H(5) 112(3) 1_555 1_555 1_555 no
C(3) C(4) H(6) 110(2) 1_555 1_555 1_555 no
H(4) C(4) H(5) 107(2) 1_555 1_555 1_555 no
H(4) C(4) H(6) 107(7) 1_555 1_555 1_555 no
H(5) C(4) H(6) 108(3) 1_555 1_555 1_555 no
Ir(1) C(5) O(5) 178(2) 1_555 1_555 1_555 yes
Ir(2) C(6) O(6) 177(2) 1_555 1_555 1_555 yes
N(1) C(7) C(8) 175(2) 1_555 1_555 1_555 yes
C(7) C(8) H(7) 109(2) 1_555 1_555 1_555 no
C(7) C(8) H(8) 113(3) 1_555 1_555 1_555 no
C(7) C(8) H(9) 110(2) 1_555 1_555 1_555 no
H(7) C(8) H(8) 107(3) 1_555 1_555 1_555 no
H(7) C(8) H(9) 105(6) 1_555 1_555 1_555 no
H(8) C(8) H(9) 109(3) 1_555 1_555 1_555 no
N(2) C(9) C(10) 173(2) 1_555 1_555 1_555 yes
C(9) C(10) H(10) 110(2) 1_555 1_555 1_555 no
C(9) C(10) H(11) 111(2) 1_555 1_555 1_555 no
C(9) C(10) H(12) 111(1) 1_555 1_555 1_555 no
H(10) C(10) H(11) 107(2) 1_555 1_555 1_555 no
H(10) C(10) H(12) 106(5) 1_555 1_555 1_555 no
H(11) C(10) H(12) 108(5) 1_555 1_555 1_555 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir(1) Ir(2) 2.569(1) 1_555 1_555 yes
Ir(1) Cl(1) 2.341(6) 1_555 1_555 yes
Ir(1) O(1) 2.06(1) 1_555 1_555 yes
Ir(1) O(3) 2.09(1) 1_555 1_555 yes
Ir(1) N(1) 2.18(2) 1_555 1_555 yes
Ir(1) C(5) 1.82(2) 1_555 1_555 yes
Ir(2) Cl(2) 2.335(5) 1_555 1_555 yes
Ir(2) O(2) 2.07(2) 1_555 1_555 yes
Ir(2) O(4) 2.05(1) 1_555 1_555 yes
Ir(2) N(2) 2.13(1) 1_555 1_555 yes
Ir(2) C(6) 1.80(2) 1_555 1_555 yes
O(1) C(1) 1.21(2) 1_555 1_555 yes
O(2) C(1) 1.29(2) 1_555 1_555 yes
O(3) C(3) 1.24(2) 1_555 1_555 yes
O(4) C(3) 1.24(2) 1_555 1_555 yes
O(5) C(5) 1.11(2) 1_555 1_555 yes
O(6) C(6) 1.16(3) 1_555 1_555 yes
N(1) C(7) 1.09(2) 1_555 1_555 yes
N(2) C(9) 1.12(2) 1_555 1_555 yes
C(1) C(2) 1.52(3) 1_555 1_555 yes
C(3) C(4) 1.55(3) 1_555 1_555 yes
C(7) C(8) 1.48(3) 1_555 1_555 yes
C(9) C(10) 1.46(2) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ir(1) Ir(2) 2.569(1) 1_555 1_555
Cl(1) C(10) 3.44(2) 1_555 4_555
Cl(1) C(10) 3.59(3) 1_555 3_645
O(1) C(9) 3.41(3) 1_555 3_644
O(1) O(6) 3.45(3) 1_555 3_644
O(1) N(2) 3.51(2) 1_555 3_644
O(2) O(5) 3.29(2) 1_555 3_654
O(3) C(10) 3.51(3) 1_555 3_644
O(4) O(5) 3.58(3) 1_555 3_654
O(5) C(4) 3.24(3) 1_555 3_645
O(5) O(6) 3.26(3) 1_555 3_644
O(5) C(3) 3.32(3) 1_555 3_645
O(5) C(1) 3.48(2) 1_555 3_645
O(5) C(10) 3.53(3) 1_555 1_545
O(6) C(5) 3.23(3) 1_555 3_655
O(6) N(1) 3.34(3) 1_555 3_655
O(6) C(10) 3.44(3) 1_555 3_645
O(6) C(2) 3.53(3) 1_555 1_556
N(2) C(7) 3.60(3) 1_555 3_655
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
Ir(1) Ir(2) O(2) C(1) 12(1) 1_555 1_555 1_555 1_555 yes
Ir(1) Ir(2) O(4) C(3) 15(1) 1_555 1_555 1_555 1_555 yes
Ir(1) Ir(2) N(2) C(9) -34(15) 1_555 1_555 1_555 1_555 yes
Ir(1) Ir(2) C(6) O(6) 119(52) 1_555 1_555 1_555 1_555 yes
Ir(1) O(1) C(1) O(2) -11(2) 1_555 1_555 1_555 1_555 yes
Ir(1) O(1) C(1) C(2) 176(1) 1_555 1_555 1_555 1_555 yes
Ir(1) O(3) C(3) O(4) -7(3) 1_555 1_555 1_555 1_555 yes
Ir(1) O(3) C(3) C(4) 174(1) 1_555 1_555 1_555 1_555 yes
Ir(1) N(1) C(7) C(8) -20(46) 1_555 1_555 1_555 1_555 yes
Ir(2) Ir(1) O(1) C(1) 15(1) 1_555 1_555 1_555 1_555 yes
Ir(2) Ir(1) O(3) C(3) 14(1) 1_555 1_555 1_555 1_555 yes
Ir(2) Ir(1) N(1) C(7) 53(19) 1_555 1_555 1_555 1_555 yes
Ir(2) Ir(1) C(5) O(5) -73.6 1_555 1_555 1_555 1_555 yes
Ir(2) O(2) C(1) O(1) -4(2) 1_555 1_555 1_555 1_555 yes
Ir(2) O(2) C(1) C(2) 168(1) 1_555 1_555 1_555 1_555 yes
Ir(2) O(4) C(3) O(3) -8(3) 1_555 1_555 1_555 1_555 yes
Ir(2) O(4) C(3) C(4) 169(1) 1_555 1_555 1_555 1_555 yes
Ir(2) N(2) C(9) C(10) -63(33) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) Ir(2) Cl(2) -110.0(2) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) Ir(2) O(2) 163.5(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) Ir(2) O(4) 75.4(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) Ir(2) N(2) 115(1) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) Ir(2) C(6) -19.7(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) O(1) C(1) -77(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) O(3) C(3) -80(1) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) N(1) C(7) -52(18) 1_555 1_555 1_555 1_555 yes
Cl(1) Ir(1) C(5) O(5) 21.7 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) Ir(1) O(1) 74.8(4) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) Ir(1) O(3) 162.1(5) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) Ir(1) N(1) 144(2) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) Ir(1) C(5) -18.6(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) O(2) C(1) -84(1) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) O(4) C(3) -93(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) N(2) C(9) -168(14) 1_555 1_555 1_555 1_555 yes
Cl(2) Ir(2) C(6) O(6) -143(52) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) Ir(2) O(2) -11.7(6) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) Ir(2) O(4) -99.8(7) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) Ir(2) N(2) -59(1) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) Ir(2) C(6) 165.1(9) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) O(3) C(3) 100(1) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) N(1) C(7) 122(18) 1_555 1_555 1_555 1_555 yes
O(1) Ir(1) C(5) O(5) -159.1 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) Ir(1) O(3) 75.6(6) 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) Ir(1) N(1) 57(2) 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) Ir(1) C(5) -105.1(9) 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) O(4) C(3) -68(1) 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) N(2) C(9) -81(14) 1_555 1_555 1_555 1_555 yes
O(2) Ir(2) C(6) O(6) -143(45) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) Ir(2) O(4) -12.5(7) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) Ir(2) N(2) 27(2) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) Ir(2) C(6) -107.6(9) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) O(1) C(1) -67(1) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) N(1) C(7) 35(18) 1_555 1_555 1_555 1_555 yes
O(3) Ir(1) C(5) O(5) 26.2 1_555 1_555 1_555 1_555 yes
O(4) Ir(2) Ir(1) N(1) -30(2) 1_555 1_555 1_555 1_555 yes
O(4) Ir(2) Ir(1) C(5) 166.8(10) 1_555 1_555 1_555 1_555 yes
O(4) Ir(2) O(2) C(1) 98(1) 1_555 1_555 1_555 1_555 yes
O(4) Ir(2) N(2) C(9) 6(14) 1_555 1_555 1_555 1_555 yes
O(4) Ir(2) C(6) O(6) 34(52) 1_555 1_555 1_555 1_555 yes
O(5) C(5) Ir(1) N(1) 110.3 1_555 1_555 1_555 1_555 yes
O(6) C(6) Ir(2) N(2) -50(52) 1_555 1_555 1_555 1_555 yes
N(1) Ir(1) Ir(2) N(2) 10(2) 1_555 1_555 1_555 1_555 yes
N(1) Ir(1) Ir(2) C(6) -125(2) 1_555 1_555 1_555 1_555 yes
N(1) Ir(1) O(1) C(1) -151(1) 1_555 1_555 1_555 1_555 yes
N(1) Ir(1) O(3) C(3) -169(1) 1_555 1_555 1_555 1_555 yes
N(2) Ir(2) Ir(1) C(5) -152(2) 1_555 1_555 1_555 1_555 yes
N(2) Ir(2) O(2) C(1) -177(1) 1_555 1_555 1_555 1_555 yes
N(2) Ir(2) O(4) C(3) -155(1) 1_555 1_555 1_555 1_555 yes
C(1) O(1) Ir(1) C(5) 112(1) 1_555 1_555 1_555 1_555 yes
C(1) O(2) Ir(2) C(6) -84(14) 1_555 1_555 1_555 1_555 yes
C(3) O(3) Ir(1) C(5) -84(59) 1_555 1_555 1_555 1_555 yes
C(3) O(4) Ir(2) C(6) 111(1) 1_555 1_555 1_555 1_555 yes
C(5) Ir(1) Ir(2) C(6) 71(1) 1_555 1_555 1_555 1_555 yes
C(5) Ir(1) N(1) C(7) -143(18) 1_555 1_555 1_555 1_555 yes
C(6) Ir(2) N(2) C(9) 101(14) 1_555 1_555 1_555 1_555 yes
