data_global
_audit_creation_date                               2019-04-22
_audit_creation_method                            'by CrystalStructure 4.2.5'
_audit_update_record                               ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic                      ?
_journal_date_from_coeditor                        ?
_journal_date_accepted                             ?
_journal_coeditor_code                             ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name                         'ENTER NAME'
_publ_contact_author_email                        'ENTER EMAIL ADDRESS'
_publ_contact_author_fax                          'ENTER FAX NUMBER'
_publ_contact_author_phone                        'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal                           'ENTER JOURNAL NAME HERE'
_publ_requested_category
                                               'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name                      ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2017). CrystalStructure. Version 4.2.5. 
    Rigaku Corporation, Tokyo, Japan.

    Altomare, A., Cascarano, G., Giacovazzo, C. and Guagliardi, A. 
    (1993). J. Appl. Cryst. 26, 343-350.
    SIR92

    Sheldrick, G.M. (1997). SHELXL97. University of Gottingen, Germany.

    Rigaku Oxford Diffraction (2018), CrysAlisPro. version 1.171.39.46e.
    Rigaku Corporation, Tokyo, Japan

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_xcalibur

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'C23 H28 Cl Ir N2 O'
_chemical_formula_moiety                          'C23 H28 Cl Ir N2 O'
_chemical_formula_weight                           576.16
_chemical_melting_point                            ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        monoclinic
_space_group_name_H-M_alt                         'P 1 21/c 1'
_space_group_name_Hall                            '-P 2ybc'
_space_group_IT_number                             14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '-X,1/2+Y,1/2-Z'
3   '-X,-Y,-Z'
4   '+X,-1/2-Y,-1/2+Z'
#------------------------------------------------------------------------------
_cell_length_a                                     20.6873(11)
_cell_length_b                                     7.8511(4)
_cell_length_c                                     26.1279(12)
_cell_angle_alpha                                  90.0000
_cell_angle_beta                                   98.161(4)
_cell_angle_gamma                                  90.0000
_cell_volume                                       4200.7(4)
_cell_formula_units_Z                              8
_cell_measurement_reflns_used                      15336
_cell_measurement_theta_min                        4.28
_cell_measurement_theta_max                        73.96
_cell_measurement_temperature                      123
#------------------------------------------------------------------------------
_exptl_crystal_description                         prism
_exptl_crystal_colour                              orange
_exptl_crystal_size_max                            0.200
_exptl_crystal_size_mid                            0.100
_exptl_crystal_size_min                            0.050
_exptl_crystal_density_diffrn                      1.822
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               2256.00
_exptl_absorpt_coefficient_mu                      13.320
_exptl_absorpt_correction_type                     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min                    0.142
_exptl_absorpt_correction_T_max                    0.514

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        123
_diffrn_radiation_type                            'Cu K\a'
_diffrn_radiation_wavelength                       1.54184
_diffrn_measurement_device_type                   'Rigaku XtaLAB P200'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   5.811
_diffrn_reflns_number                              34248
_diffrn_reflns_av_R_equivalents                    0.0817
_diffrn_reflns_theta_max                           74.680
_diffrn_reflns_theta_min                           3.418
_diffrn_reflns_theta_full                          74.680
_diffrn_measured_fraction_theta_max                0.974
_diffrn_measured_fraction_theta_full               0.974
_diffrn_reflns_Laue_measured_fraction_max          0.000
_diffrn_reflns_Laue_measured_fraction_full         0.000
_diffrn_reflns_point_group_measured_fraction_max   0.000
_diffrn_reflns_point_group_measured_fraction_full  0.000
_diffrn_reflns_limit_h_min                        -25
_diffrn_reflns_limit_h_max                         24
_diffrn_reflns_limit_k_min                        -9
_diffrn_reflns_limit_k_max                         9
_diffrn_reflns_limit_l_min                        -32
_diffrn_reflns_limit_l_max                         26
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?
_reflns_number_total                               8388
_reflns_number_gt                                  7638
_reflns_threshold_expression                       F²>2.0σ(F²)

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.1088
_refine_ls_R_factor_gt                             0.1024
_refine_ls_wR_factor_ref                           0.2412
_refine_ls_wR_factor_gt                            0.2379
_refine_ls_number_restraints                       0
_refine_ls_hydrogen_treatment                      constr
_refine_ls_number_reflns                           8388
_refine_ls_number_parameters                       500
_refine_ls_goodness_of_fit_ref                     1.094
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
         'w = 1/[σ²(Fo²)+(0.0581P)²+332.0132P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens                     geom
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.077
_refine_diff_density_max                           4.77
_refine_diff_density_min                          -7.05
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'Ir' 'Ir'  -4.7710 6.5667 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'C' 'C'  0.0181 0.0091 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Cl' 'Cl'  0.3639 0.7018 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.0000 0.0000 
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
  'O' 'O'  0.0492 0.0322 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.0311 0.0180 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ir1 Ir 0.65812(3) 1.05006(11) 0.10042(2) 0.0285(2) Uani 1 1 d . . . 
Ir2 Ir 0.86690(3) 0.96633(10) 0.40149(2) 0.0244(2) Uani 1 1 d . . . 
Cl1 Cl 0.63638(19) 0.8854(6) 0.02176(13) 0.0326(9) Uani 1 1 d . . . 
Cl2 Cl 0.9179(2) 1.1647(6) 0.46506(14) 0.0335(9) Uani 1 1 d . . . 
O1 O 0.8425(6) 0.765(2) 0.1923(5) 0.044(3) Uani 1 1 d . . . 
O2 O 0.9136(6) 1.1295(18) 0.2383(4) 0.036(3) Uani 1 1 d . . . 
N1 N 0.7560(7) 1.024(2) 0.0913(5) 0.032(3) Uani 1 1 d . . . 
N2 N 0.8633(6) 0.981(2) 0.1075(5) 0.032(3) Uani 1 1 d . . . 
N3 N 0.9523(6) 0.994(2) 0.3690(5) 0.026(3) Uani 1 1 d . . . 
N4 N 1.0187(7) 1.000(2) 0.3098(5) 0.032(3) Uani 1 1 d . . . 
C1 C 0.5604(9) 0.704(3) 0.1191(7) 0.038(4) Uani 1 1 d . . . 
H1 H 0.5617 0.7428 0.0848 0.045 Uiso 1 1 calc R . . 
C2 C 0.5077(9) 0.606(3) 0.1306(9) 0.048(5) Uani 1 1 d . . . 
H2 H 0.4754 0.5684 0.1034 0.057 Uiso 1 1 calc R . . 
C3 C 0.5024(10) 0.565(3) 0.1792(9) 0.050(6) Uani 1 1 d . . . 
H3 H 0.4639 0.5095 0.1863 0.060 Uiso 1 1 calc R . . 
C4 C 0.5508(10) 0.601(4) 0.2196(8) 0.054(6) Uani 1 1 d . . . 
H4 H 0.5472 0.5640 0.2537 0.065 Uiso 1 1 calc R . . 
C5 C 0.6058(9) 0.693(4) 0.2089(7) 0.055(7) Uani 1 1 d . . . 
H5 H 0.6395 0.7200 0.2363 0.065 Uiso 1 1 calc R . . 
C6 C 0.6115(8) 0.744(3) 0.1589(7) 0.037(5) Uani 1 1 d . . . 
C7 C 0.6700(8) 0.846(4) 0.1453(7) 0.059(8) Uani 1 1 d . . . 
H7 H 0.6743 0.7702 0.1152 0.070 Uiso 1 1 calc R . . 
C8 C 0.7286(8) 0.785(3) 0.1729(7) 0.033(4) Uani 1 1 d . . . 
H8A H 0.7266 0.6594 0.1690 0.040 Uiso 1 1 calc R . . 
H8B H 0.7256 0.8082 0.2097 0.040 Uiso 1 1 calc R . . 
C9 C 0.7938(8) 0.832(3) 0.1658(7) 0.033(4) Uani 1 1 d . . . 
C10 C 0.8037(7) 0.948(2) 0.1231(6) 0.028(4) Uani 1 1 d . . . 
C11 C 0.7848(8) 1.113(2) 0.0548(6) 0.029(4) Uani 1 1 d . . . 
H11 H 0.7629 1.1822 0.0279 0.035 Uiso 1 1 calc R . . 
C12 C 0.8508(8) 1.082(3) 0.0643(6) 0.033(4) Uani 1 1 d . . . 
H12 H 0.8825 1.1240 0.0444 0.040 Uiso 1 1 calc R . . 
C13 C 0.9280(8) 0.918(3) 0.1294(7) 0.040(5) Uani 1 1 d . . . 
C14 C 0.6633(8) 1.273(4) 0.1457(7) 0.049(6) Uani 1 1 d . . . 
C15 C 0.6039(9) 1.193(2) 0.1530(7) 0.034(4) Uani 1 1 d . . . 
C16 C 0.5651(7) 1.175(3) 0.1047(8) 0.037(4) Uani 1 1 d . . . 
C17 C 0.5977(9) 1.271(3) 0.0675(6) 0.036(4) Uani 1 1 d . . . 
C18 C 0.6553(8) 1.338(2) 0.0942(6) 0.029(4) Uani 1 1 d . . . 
C19 C 0.7181(10) 1.314(3) 0.1902(7) 0.046(5) Uani 1 1 d . . . 
C20 C 0.5877(13) 1.118(3) 0.2042(9) 0.057(7) Uani 1 1 d . . . 
C21 C 0.4972(9) 1.105(4) 0.0923(12) 0.067(8) Uani 1 1 d . . . 
C22 C 0.5700(13) 1.299(3) 0.0116(7) 0.059(7) Uani 1 1 d . . . 
C23 C 0.7019(10) 1.458(3) 0.0724(8) 0.050(6) Uani 1 1 d . . . 
C24 C 0.7727(8) 1.340(2) 0.4068(7) 0.028(3) Uani 1 1 d . . . 
H24 H 0.8119 1.3460 0.4305 0.033 Uiso 1 1 calc R . . 
C25 C 0.7174(9) 1.425(3) 0.4173(7) 0.041(5) Uani 1 1 d . . . 
H25 H 0.7193 1.4879 0.4486 0.049 Uiso 1 1 calc R . . 
C26 C 0.6598(10) 1.422(3) 0.3836(8) 0.051(6) Uani 1 1 d . . . 
H26 H 0.6228 1.4847 0.3909 0.061 Uiso 1 1 calc R . . 
C27 C 0.6571(9) 1.325(3) 0.3384(8) 0.044(5) Uani 1 1 d . . . 
H27 H 0.6172 1.3162 0.3156 0.053 Uiso 1 1 calc R . . 
C28 C 0.7131(8) 1.242(3) 0.3267(7) 0.037(4) Uani 1 1 d . . . 
H28 H 0.7116 1.1832 0.2948 0.045 Uiso 1 1 calc R . . 
C29 C 0.7707(8) 1.243(3) 0.3611(6) 0.031(4) Uani 1 1 d . . . 
C30 C 0.8286(8) 1.149(2) 0.3499(6) 0.026(3) Uani 1 1 d . . . 
H30 H 0.8589 1.2385 0.3670 0.032 Uiso 1 1 calc R . . 
C31 C 0.8482(8) 1.178(3) 0.3030(6) 0.030(4) Uani 1 1 d . . . 
H31A H 0.8521 1.3032 0.3005 0.036 Uiso 1 1 calc R . . 
H31B H 0.8102 1.1459 0.2774 0.036 Uiso 1 1 calc R . . 
C32 C 0.9038(8) 1.112(2) 0.2825(7) 0.032(4) Uiso 1 1 d . . . 
C33 C 0.9572(8) 1.028(3) 0.3201(6) 0.035(4) Uani 1 1 d . . . 
C34 C 1.0140(7) 0.941(2) 0.3920(7) 0.032(4) Uani 1 1 d . . . 
H34 H 1.0257 0.9092 0.4272 0.038 Uiso 1 1 calc R . . 
C35 C 1.0545(8) 0.942(2) 0.3554(7) 0.030(4) Uani 1 1 d . . . 
H35 H 1.0991 0.9088 0.3601 0.035 Uiso 1 1 calc R . . 
C36 C 1.0463(8) 1.029(3) 0.2614(7) 0.036(4) Uani 1 1 d . . . 
C37 C 0.7774(7) 0.851(3) 0.4201(6) 0.030(4) Uani 1 1 d . . . 
C38 C 0.8299(8) 0.802(2) 0.4614(6) 0.024(3) Uani 1 1 d . . . 
C39 C 0.8784(7) 0.716(2) 0.4389(6) 0.020(3) Uani 1 1 d . . . 
C40 C 0.8559(8) 0.702(3) 0.3846(7) 0.035(4) Uani 1 1 d . . . 
C41 C 0.7939(8) 0.779(2) 0.3727(6) 0.027(3) Uani 1 1 d . . . 
C42 C 0.7127(8) 0.925(3) 0.4284(7) 0.037(5) Uani 1 1 d . . . 
C43 C 0.8325(9) 0.854(2) 0.5169(6) 0.032(4) Uani 1 1 d . . . 
C44 C 0.9393(8) 0.632(2) 0.4675(7) 0.032(4) Uani 1 1 d . . . 
C45 C 0.8919(10) 0.606(3) 0.3462(8) 0.047(5) Uani 1 1 d . . . 
C46 C 0.7517(9) 0.775(3) 0.3211(7) 0.049(6) Uani 1 1 d . . . 


#==============================================================================
_computing_data_collection
                                   'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_cell_refinement
                                   'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction
                                   'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_solution
                                               'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement                   'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material
                                        'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics                     'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 

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 C7 1.98(3) . ? 
Ir1 N1 2.082(13) . ? 
Ir1 C14 2.11(3) . ? 
Ir1 C16 2.179(15) . ? 
Ir1 C15 2.200(15) . ? 
Ir1 C17 2.234(19) . ? 
Ir1 C18 2.268(19) . ? 
Ir1 Cl1 2.415(4) . ? 
Ir2 C30 2.051(16) . ? 
Ir2 N3 2.077(13) . ? 
Ir2 C40 2.13(2) . ? 
Ir2 C41 2.167(17) . ? 
Ir2 C37 2.177(15) . ? 
Ir2 C39 2.194(16) . ? 
Ir2 C38 2.247(14) . ? 
Ir2 Cl2 2.408(4) . ? 
O1 C9 1.25(2) . ? 
O2 C32 1.21(2) . ? 
N1 C10 1.34(2) . ? 
N1 C11 1.38(2) . ? 
N2 C12 1.37(2) . ? 
N2 C10 1.38(2) . ? 
N2 C13 1.47(2) . ? 
N3 C33 1.33(2) . ? 
N3 C34 1.394(19) . ? 
N4 C33 1.36(2) . ? 
N4 C35 1.39(2) . ? 
N4 C36 1.48(2) . ? 
C1 C2 1.40(3) . ? 
C1 C6 1.41(3) . ? 
C1 H1 0.9500 . ? 
C2 C3 1.33(3) . ? 
C2 H2 0.9500 . ? 
C3 C4 1.37(3) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.41(3) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.39(2) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.53(3) . ? 
C7 C8 1.40(3) . ? 
C7 H7 1.0000 . ? 
C8 C9 1.44(2) . ? 
C8 H8A 0.9900 . ? 
C8 H8B 0.9900 . ? 
C9 C10 1.48(2) . ? 
C11 C12 1.37(2) . ? 
C11 H11 0.9500 . ? 
C12 H12 0.9500 . ? 
C14 C15 1.42(3) . ? 
C14 C18 1.43(2) . ? 
C14 C19 1.54(2) . ? 
C15 C16 1.40(3) . ? 
C15 C20 1.54(3) . ? 
C16 C17 1.46(3) . ? 
C16 C21 1.50(3) . ? 
C17 C18 1.40(2) . ? 
C17 C22 1.51(2) . ? 
C18 C23 1.52(3) . ? 
C24 C25 1.39(2) . ? 
C24 C29 1.41(2) . ? 
C24 H24 0.9500 . ? 
C25 C26 1.38(3) . ? 
C25 H25 0.9500 . ? 
C26 C27 1.40(3) . ? 
C26 H26 0.9500 . ? 
C27 C28 1.40(3) . ? 
C27 H27 0.9500 . ? 
C28 C29 1.39(2) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.47(2) . ? 
C30 C31 1.36(2) . ? 
C30 H30 1.0000 . ? 
C31 C32 1.43(2) . ? 
C31 H31A 0.9900 . ? 
C31 H31B 0.9900 . ? 
C32 C33 1.52(2) . ? 
C34 C35 1.36(2) . ? 
C34 H34 0.9500 . ? 
C35 H35 0.9500 . ? 
C37 C41 1.45(2) . ? 
C37 C38 1.47(2) . ? 
C37 C42 1.50(2) . ? 
C38 C39 1.40(2) . ? 
C38 C43 1.50(2) . ? 
C39 C40 1.43(2) . ? 
C39 C44 1.52(2) . ? 
C40 C41 1.41(3) . ? 
C40 C45 1.53(3) . ? 
C41 C46 1.50(2) . ? 

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 
C7 Ir1 N1 87.0(7) . . ? 
C7 Ir1 C14 110.3(8) . . ? 
N1 Ir1 C14 100.0(7) . . ? 
C7 Ir1 C16 111.8(7) . . ? 
N1 Ir1 C16 158.6(7) . . ? 
C14 Ir1 C16 64.6(7) . . ? 
C7 Ir1 C15 94.2(8) . . ? 
N1 Ir1 C15 135.4(7) . . ? 
C14 Ir1 C15 38.3(7) . . ? 
C16 Ir1 C15 37.3(7) . . ? 
C7 Ir1 C17 150.5(7) . . ? 
N1 Ir1 C17 122.2(7) . . ? 
C14 Ir1 C17 63.5(7) . . ? 
C16 Ir1 C17 38.7(7) . . ? 
C15 Ir1 C17 62.5(7) . . ? 
C7 Ir1 C18 148.1(7) . . ? 
N1 Ir1 C18 96.1(6) . . ? 
C14 Ir1 C18 37.9(7) . . ? 
C16 Ir1 C18 62.6(7) . . ? 
C15 Ir1 C18 61.7(6) . . ? 
C17 Ir1 C18 36.1(6) . . ? 
C7 Ir1 Cl1 93.7(6) . . ? 
N1 Ir1 Cl1 85.2(4) . . ? 
C14 Ir1 Cl1 155.6(6) . . ? 
C16 Ir1 Cl1 103.1(5) . . ? 
C15 Ir1 Cl1 138.9(5) . . ? 
C17 Ir1 Cl1 93.5(4) . . ? 
C18 Ir1 Cl1 118.2(4) . . ? 
C30 Ir2 N3 86.1(6) . . ? 
C30 Ir2 C40 121.8(7) . . ? 
N3 Ir2 C40 95.0(6) . . ? 
C30 Ir2 C41 93.6(7) . . ? 
N3 Ir2 C41 121.3(6) . . ? 
C40 Ir2 C41 38.3(7) . . ? 
C30 Ir2 C37 100.1(7) . . ? 
N3 Ir2 C37 159.1(7) . . ? 
C40 Ir2 C37 64.7(7) . . ? 
C41 Ir2 C37 39.0(6) . . ? 
C30 Ir2 C39 158.2(6) . . ? 
N3 Ir2 C39 103.3(6) . . ? 
C40 Ir2 C39 38.8(6) . . ? 
C41 Ir2 C39 64.7(6) . . ? 
C37 Ir2 C39 64.5(6) . . ? 
C30 Ir2 C38 136.3(6) . . ? 
N3 Ir2 C38 137.5(6) . . ? 
C40 Ir2 C38 63.0(6) . . ? 
C41 Ir2 C38 64.0(6) . . ? 
C37 Ir2 C38 38.8(6) . . ? 
C39 Ir2 C38 36.8(5) . . ? 
C30 Ir2 Cl2 95.2(5) . . ? 
N3 Ir2 Cl2 84.3(4) . . ? 
C40 Ir2 Cl2 142.9(5) . . ? 
C41 Ir2 Cl2 153.5(4) . . ? 
C37 Ir2 Cl2 114.7(5) . . ? 
C39 Ir2 Cl2 105.2(4) . . ? 
C38 Ir2 Cl2 92.9(4) . . ? 
C10 N1 C11 107.6(14) . . ? 
C10 N1 Ir1 128.1(10) . . ? 
C11 N1 Ir1 123.3(12) . . ? 
C12 N2 C10 106.4(13) . . ? 
C12 N2 C13 124.7(15) . . ? 
C10 N2 C13 128.7(15) . . ? 
C33 N3 C34 106.6(14) . . ? 
C33 N3 Ir2 127.0(11) . . ? 
C34 N3 Ir2 125.0(11) . . ? 
C33 N4 C35 106.6(13) . . ? 
C33 N4 C36 129.2(15) . . ? 
C35 N4 C36 124.1(14) . . ? 
C2 C1 C6 119.3(18) . . ? 
C2 C1 H1 120.3 . . ? 
C6 C1 H1 120.3 . . ? 
C3 C2 C1 121(2) . . ? 
C3 C2 H2 119.7 . . ? 
C1 C2 H2 119.7 . . ? 
C2 C3 C4 122(2) . . ? 
C2 C3 H3 118.8 . . ? 
C4 C3 H3 118.8 . . ? 
C3 C4 C5 118.2(18) . . ? 
C3 C4 H4 120.9 . . ? 
C5 C4 H4 120.9 . . ? 
C6 C5 C4 120.9(18) . . ? 
C6 C5 H5 119.5 . . ? 
C4 C5 H5 119.5 . . ? 
C5 C6 C1 118.3(17) . . ? 
C5 C6 C7 123.0(17) . . ? 
C1 C6 C7 118.7(15) . . ? 
C8 C7 C6 111(2) . . ? 
C8 C7 Ir1 127.3(17) . . ? 
C6 C7 Ir1 121.6(13) . . ? 
C8 C7 H7 91.9 . . ? 
C6 C7 H7 91.9 . . ? 
Ir1 C7 H7 91.9 . . ? 
C7 C8 C9 127.3(18) . . ? 
C7 C8 H8A 105.5 . . ? 
C9 C8 H8A 105.5 . . ? 
C7 C8 H8B 105.5 . . ? 
C9 C8 H8B 105.5 . . ? 
H8A C8 H8B 106.1 . . ? 
O1 C9 C8 121.3(17) . . ? 
O1 C9 C10 119.2(15) . . ? 
C8 C9 C10 119.3(15) . . ? 
N1 C10 N2 110.1(14) . . ? 
N1 C10 C9 125.1(14) . . ? 
N2 C10 C9 124.6(15) . . ? 
C12 C11 N1 107.5(15) . . ? 
C12 C11 H11 126.2 . . ? 
N1 C11 H11 126.2 . . ? 
C11 C12 N2 108.4(15) . . ? 
C11 C12 H12 125.8 . . ? 
N2 C12 H12 125.8 . . ? 
C15 C14 C18 107.4(16) . . ? 
C15 C14 C19 123.6(17) . . ? 
C18 C14 C19 127.5(18) . . ? 
C15 C14 Ir1 74.4(13) . . ? 
C18 C14 Ir1 77.2(13) . . ? 
C19 C14 Ir1 124.9(16) . . ? 
C16 C15 C14 108.7(15) . . ? 
C16 C15 C20 125.2(17) . . ? 
C14 C15 C20 125.7(18) . . ? 
C16 C15 Ir1 70.5(9) . . ? 
C14 C15 Ir1 67.2(12) . . ? 
C20 C15 Ir1 122.7(14) . . ? 
C15 C16 C17 106.7(16) . . ? 
C15 C16 C21 129(2) . . ? 
C17 C16 C21 123.4(19) . . ? 
C15 C16 Ir1 72.1(9) . . ? 
C17 C16 Ir1 72.7(9) . . ? 
C21 C16 Ir1 129.1(16) . . ? 
C18 C17 C16 107.7(15) . . ? 
C18 C17 C22 127(2) . . ? 
C16 C17 C22 124.8(19) . . ? 
C18 C17 Ir1 73.3(11) . . ? 
C16 C17 Ir1 68.6(10) . . ? 
C22 C17 Ir1 127.1(14) . . ? 
C17 C18 C14 108.0(16) . . ? 
C17 C18 C23 126.2(16) . . ? 
C14 C18 C23 125.8(16) . . ? 
C17 C18 Ir1 70.6(11) . . ? 
C14 C18 Ir1 64.9(13) . . ? 
C23 C18 Ir1 129.5(13) . . ? 
C25 C24 C29 120.1(17) . . ? 
C25 C24 H24 119.9 . . ? 
C29 C24 H24 120.0 . . ? 
C24 C25 C26 121.9(18) . . ? 
C24 C25 H25 119.1 . . ? 
C26 C25 H25 119.0 . . ? 
C25 C26 C27 118.5(18) . . ? 
C25 C26 H26 120.8 . . ? 
C27 C26 H26 120.8 . . ? 
C26 C27 C28 120.1(18) . . ? 
C26 C27 H27 119.9 . . ? 
C28 C27 H27 120.0 . . ? 
C29 C28 C27 121.0(18) . . ? 
C29 C28 H28 119.5 . . ? 
C27 C28 H28 119.5 . . ? 
C28 C29 C24 118.2(17) . . ? 
C28 C29 C30 121.1(16) . . ? 
C24 C29 C30 120.7(14) . . ? 
C31 C30 C29 116.8(14) . . ? 
C31 C30 Ir2 124.7(13) . . ? 
C29 C30 Ir2 118.0(11) . . ? 
C31 C30 H30 92.2 . . ? 
C29 C30 H30 92.2 . . ? 
Ir2 C30 H30 92.2 . . ? 
C30 C31 C32 129.3(16) . . ? 
C30 C31 H31A 105.0 . . ? 
C32 C31 H31A 105.0 . . ? 
C30 C31 H31B 105.0 . . ? 
C32 C31 H31B 105.0 . . ? 
H31A C31 H31B 105.8 . . ? 
O2 C32 C31 124.6(17) . . ? 
O2 C32 C33 117.6(16) . . ? 
C31 C32 C33 117.6(15) . . ? 
N3 C33 N4 111.0(14) . . ? 
N3 C33 C32 124.4(15) . . ? 
N4 C33 C32 124.1(15) . . ? 
C35 C34 N3 108.3(15) . . ? 
C35 C34 H34 125.9 . . ? 
N3 C34 H34 125.9 . . ? 
C34 C35 N4 107.4(14) . . ? 
C34 C35 H35 126.3 . . ? 
N4 C35 H35 126.3 . . ? 
C41 C37 C38 106.5(14) . . ? 
C41 C37 C42 126.7(15) . . ? 
C38 C37 C42 125.3(14) . . ? 
C41 C37 Ir2 70.1(9) . . ? 
C38 C37 Ir2 73.2(8) . . ? 
C42 C37 Ir2 132.5(15) . . ? 
C39 C38 C37 108.6(13) . . ? 
C39 C38 C43 127.3(15) . . ? 
C37 C38 C43 123.8(15) . . ? 
C39 C38 Ir2 69.5(8) . . ? 
C37 C38 Ir2 68.0(8) . . ? 
C43 C38 Ir2 123.0(12) . . ? 
C38 C39 C40 107.4(14) . . ? 
C38 C39 C44 126.5(14) . . ? 
C40 C39 C44 125.7(14) . . ? 
C38 C39 Ir2 73.6(9) . . ? 
C40 C39 Ir2 68.1(11) . . ? 
C44 C39 Ir2 129.5(11) . . ? 
C41 C40 C39 110.1(14) . . ? 
C41 C40 C45 125.3(16) . . ? 
C39 C40 C45 124.5(17) . . ? 
C41 C40 Ir2 72.4(11) . . ? 
C39 C40 Ir2 73.2(10) . . ? 
C45 C40 Ir2 124.7(14) . . ? 
C40 C41 C37 107.2(14) . . ? 
C40 C41 C46 125.9(16) . . ? 
C37 C41 C46 126.8(16) . . ? 
C40 C41 Ir2 69.3(10) . . ? 
C37 C41 Ir2 70.9(9) . . ? 
C46 C41 Ir2 127.8(13) . . ? 

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 
C7 Ir1 N1 C10 -24.3(17) . . . . ? 
C14 Ir1 N1 C10 85.8(17) . . . . ? 
C16 Ir1 N1 C10 128(2) . . . . ? 
C15 Ir1 N1 C10 69(2) . . . . ? 
C17 Ir1 N1 C10 150.6(15) . . . . ? 
C18 Ir1 N1 C10 123.8(17) . . . . ? 
Cl1 Ir1 N1 C10 -118.2(16) . . . . ? 
C7 Ir1 N1 C11 168.2(15) . . . . ? 
C14 Ir1 N1 C11 -81.7(15) . . . . ? 
C16 Ir1 N1 C11 -40(3) . . . . ? 
C15 Ir1 N1 C11 -98.8(15) . . . . ? 
C17 Ir1 N1 C11 -16.9(17) . . . . ? 
C18 Ir1 N1 C11 -43.7(15) . . . . ? 
Cl1 Ir1 N1 C11 74.3(14) . . . . ? 
C30 Ir2 N3 C33 -33.9(17) . . . . ? 
C40 Ir2 N3 C33 87.8(18) . . . . ? 
C41 Ir2 N3 C33 58.0(19) . . . . ? 
C37 Ir2 N3 C33 74(2) . . . . ? 
C39 Ir2 N3 C33 126.2(17) . . . . ? 
C38 Ir2 N3 C33 142.5(16) . . . . ? 
Cl2 Ir2 N3 C33 -129.5(17) . . . . ? 
C30 Ir2 N3 C34 161.6(15) . . . . ? 
C40 Ir2 N3 C34 -76.8(15) . . . . ? 
C41 Ir2 N3 C34 -106.6(15) . . . . ? 
C37 Ir2 N3 C34 -90(2) . . . . ? 
C39 Ir2 N3 C34 -38.3(15) . . . . ? 
C38 Ir2 N3 C34 -22.1(18) . . . . ? 
Cl2 Ir2 N3 C34 66.0(14) . . . . ? 
C6 C1 C2 C3 7(3) . . . . ? 
C1 C2 C3 C4 -7(4) . . . . ? 
C2 C3 C4 C5 4(4) . . . . ? 
C3 C4 C5 C6 -1(4) . . . . ? 
C4 C5 C6 C1 1(4) . . . . ? 
C4 C5 C6 C7 179(2) . . . . ? 
C2 C1 C6 C5 -4(3) . . . . ? 
C2 C1 C6 C7 178(2) . . . . ? 
C5 C6 C7 C8 41(3) . . . . ? 
C1 C6 C7 C8 -140.7(19) . . . . ? 
C5 C6 C7 Ir1 -133(2) . . . . ? 
C1 C6 C7 Ir1 45(3) . . . . ? 
N1 Ir1 C7 C8 23.9(18) . . . . ? 
C14 Ir1 C7 C8 -75.6(19) . . . . ? 
C16 Ir1 C7 C8 -145.4(17) . . . . ? 
C15 Ir1 C7 C8 -111.4(18) . . . . ? 
C17 Ir1 C7 C8 -147.4(15) . . . . ? 
C18 Ir1 C7 C8 -73(2) . . . . ? 
Cl1 Ir1 C7 C8 108.9(18) . . . . ? 
N1 Ir1 C7 C6 -163.2(16) . . . . ? 
C14 Ir1 C7 C6 97.2(16) . . . . ? 
C16 Ir1 C7 C6 27.4(18) . . . . ? 
C15 Ir1 C7 C6 61.5(17) . . . . ? 
C17 Ir1 C7 C6 26(3) . . . . ? 
C18 Ir1 C7 C6 100.2(19) . . . . ? 
Cl1 Ir1 C7 C6 -78.2(16) . . . . ? 
C6 C7 C8 C9 171.1(19) . . . . ? 
Ir1 C7 C8 C9 -15(3) . . . . ? 
C7 C8 C9 O1 -179(2) . . . . ? 
C7 C8 C9 C10 -5(3) . . . . ? 
C11 N1 C10 N2 -1(2) . . . . ? 
Ir1 N1 C10 N2 -170.3(12) . . . . ? 
C11 N1 C10 C9 -176.3(17) . . . . ? 
Ir1 N1 C10 C9 15(3) . . . . ? 
C12 N2 C10 N1 0(2) . . . . ? 
C13 N2 C10 N1 -177.2(18) . . . . ? 
C12 N2 C10 C9 174.9(17) . . . . ? 
C13 N2 C10 C9 -2(3) . . . . ? 
O1 C9 C10 N1 178.7(18) . . . . ? 
C8 C9 C10 N1 5(3) . . . . ? 
O1 C9 C10 N2 4(3) . . . . ? 
C8 C9 C10 N2 -169.8(17) . . . . ? 
C10 N1 C11 C12 2(2) . . . . ? 
Ir1 N1 C11 C12 171.9(12) . . . . ? 
N1 C11 C12 N2 -2(2) . . . . ? 
C10 N2 C12 C11 2(2) . . . . ? 
C13 N2 C12 C11 178.7(17) . . . . ? 
C7 Ir1 C14 C15 -70.1(13) . . . . ? 
N1 Ir1 C14 C15 -160.5(11) . . . . ? 
C16 Ir1 C14 C15 35.1(11) . . . . ? 
C17 Ir1 C14 C15 78.4(12) . . . . ? 
C18 Ir1 C14 C15 112.5(15) . . . . ? 
Cl1 Ir1 C14 C15 98.8(15) . . . . ? 
C7 Ir1 C14 C18 177.5(10) . . . . ? 
N1 Ir1 C14 C18 87.0(10) . . . . ? 
C16 Ir1 C14 C18 -77.4(11) . . . . ? 
C15 Ir1 C14 C18 -112.5(15) . . . . ? 
C17 Ir1 C14 C18 -34.1(10) . . . . ? 
Cl1 Ir1 C14 C18 -13.7(18) . . . . ? 
C7 Ir1 C14 C19 50.3(17) . . . . ? 
N1 Ir1 C14 C19 -40.2(17) . . . . ? 
C16 Ir1 C14 C19 155.5(19) . . . . ? 
C15 Ir1 C14 C19 120(2) . . . . ? 
C17 Ir1 C14 C19 -161.2(19) . . . . ? 
C18 Ir1 C14 C19 -127(2) . . . . ? 
Cl1 Ir1 C14 C19 -140.8(13) . . . . ? 
C18 C14 C15 C16 12(3) . . . . ? 
C19 C14 C15 C16 180(2) . . . . ? 
Ir1 C14 C15 C16 -58.4(14) . . . . ? 
C18 C14 C15 C20 -174.3(18) . . . . ? 
C19 C14 C15 C20 -7(4) . . . . ? 
Ir1 C14 C15 C20 114.8(19) . . . . ? 
C18 C14 C15 Ir1 70.8(16) . . . . ? 
C19 C14 C15 Ir1 -122(2) . . . . ? 
C7 Ir1 C15 C16 -121.1(12) . . . . ? 
N1 Ir1 C15 C16 149.0(11) . . . . ? 
C14 Ir1 C15 C16 121.1(17) . . . . ? 
C17 Ir1 C15 C16 39.9(12) . . . . ? 
C18 Ir1 C15 C16 81.0(12) . . . . ? 
Cl1 Ir1 C15 C16 -20.6(15) . . . . ? 
C7 Ir1 C15 C14 117.9(12) . . . . ? 
N1 Ir1 C15 C14 27.9(16) . . . . ? 
C16 Ir1 C15 C14 -121.1(17) . . . . ? 
C17 Ir1 C15 C14 -81.2(12) . . . . ? 
C18 Ir1 C15 C14 -40.1(11) . . . . ? 
Cl1 Ir1 C15 C14 -141.7(10) . . . . ? 
C7 Ir1 C15 C20 -1.1(17) . . . . ? 
N1 Ir1 C15 C20 -91.0(17) . . . . ? 
C14 Ir1 C15 C20 -119(2) . . . . ? 
C16 Ir1 C15 C20 120(2) . . . . ? 
C17 Ir1 C15 C20 159.9(19) . . . . ? 
C18 Ir1 C15 C20 -159.0(19) . . . . ? 
Cl1 Ir1 C15 C20 99.4(17) . . . . ? 
C14 C15 C16 C17 -8(2) . . . . ? 
C20 C15 C16 C17 178.2(18) . . . . ? 
Ir1 C15 C16 C17 -64.9(12) . . . . ? 
C14 C15 C16 C21 -177(2) . . . . ? 
C20 C15 C16 C21 9(3) . . . . ? 
Ir1 C15 C16 C21 126(2) . . . . ? 
C14 C15 C16 Ir1 56.5(16) . . . . ? 
C20 C15 C16 Ir1 -116.9(19) . . . . ? 
C7 Ir1 C16 C15 66.9(13) . . . . ? 
N1 Ir1 C16 C15 -83(2) . . . . ? 
C14 Ir1 C16 C15 -36.0(11) . . . . ? 
C17 Ir1 C16 C15 -114.6(16) . . . . ? 
C18 Ir1 C16 C15 -78.4(12) . . . . ? 
Cl1 Ir1 C16 C15 166.3(10) . . . . ? 
C7 Ir1 C16 C17 -178.5(11) . . . . ? 
N1 Ir1 C16 C17 32(2) . . . . ? 
C14 Ir1 C16 C17 78.6(12) . . . . ? 
C15 Ir1 C16 C17 114.6(16) . . . . ? 
C18 Ir1 C16 C17 36.2(10) . . . . ? 
Cl1 Ir1 C16 C17 -79.1(10) . . . . ? 
C7 Ir1 C16 C21 -59(2) . . . . ? 
N1 Ir1 C16 C21 151(2) . . . . ? 
C14 Ir1 C16 C21 -162(2) . . . . ? 
C15 Ir1 C16 C21 -126(3) . . . . ? 
C17 Ir1 C16 C21 119(3) . . . . ? 
C18 Ir1 C16 C21 155(2) . . . . ? 
Cl1 Ir1 C16 C21 40(2) . . . . ? 
C15 C16 C17 C18 1(2) . . . . ? 
C21 C16 C17 C18 170.9(19) . . . . ? 
Ir1 C16 C17 C18 -63.3(13) . . . . ? 
C15 C16 C17 C22 -174.3(19) . . . . ? 
C21 C16 C17 C22 -5(3) . . . . ? 
Ir1 C16 C17 C22 121(2) . . . . ? 
C15 C16 C17 Ir1 64.6(12) . . . . ? 
C21 C16 C17 Ir1 -126(2) . . . . ? 
C7 Ir1 C17 C18 120.2(16) . . . . ? 
N1 Ir1 C17 C18 -49.5(11) . . . . ? 
C14 Ir1 C17 C18 35.7(10) . . . . ? 
C16 Ir1 C17 C18 117.3(14) . . . . ? 
C15 Ir1 C17 C18 78.9(10) . . . . ? 
Cl1 Ir1 C17 C18 -136.1(9) . . . . ? 
C7 Ir1 C17 C16 3(2) . . . . ? 
N1 Ir1 C17 C16 -166.8(10) . . . . ? 
C14 Ir1 C17 C16 -81.7(12) . . . . ? 
C15 Ir1 C17 C16 -38.4(11) . . . . ? 
C18 Ir1 C17 C16 -117.3(14) . . . . ? 
Cl1 Ir1 C17 C16 106.6(10) . . . . ? 
C7 Ir1 C17 C22 -115(2) . . . . ? 
N1 Ir1 C17 C22 75(2) . . . . ? 
C14 Ir1 C17 C22 160(2) . . . . ? 
C16 Ir1 C17 C22 -118(2) . . . . ? 
C15 Ir1 C17 C22 -157(2) . . . . ? 
C18 Ir1 C17 C22 124(2) . . . . ? 
Cl1 Ir1 C17 C22 -12(2) . . . . ? 
C16 C17 C18 C14 6(2) . . . . ? 
C22 C17 C18 C14 -178(2) . . . . ? 
Ir1 C17 C18 C14 -54.0(15) . . . . ? 
C16 C17 C18 C23 -174.5(18) . . . . ? 
C22 C17 C18 C23 1(3) . . . . ? 
Ir1 C17 C18 C23 125.3(19) . . . . ? 
C16 C17 C18 Ir1 60.3(13) . . . . ? 
C22 C17 C18 Ir1 -124(2) . . . . ? 
C15 C14 C18 C17 -11(2) . . . . ? 
C19 C14 C18 C17 -178(2) . . . . ? 
Ir1 C14 C18 C17 57.5(13) . . . . ? 
C15 C14 C18 C23 169.2(19) . . . . ? 
C19 C14 C18 C23 3(4) . . . . ? 
Ir1 C14 C18 C23 -122(2) . . . . ? 
C15 C14 C18 Ir1 -68.9(16) . . . . ? 
C19 C14 C18 Ir1 125(3) . . . . ? 
C7 Ir1 C18 C17 -126.3(13) . . . . ? 
N1 Ir1 C18 C17 139.7(10) . . . . ? 
C14 Ir1 C18 C17 -121.8(14) . . . . ? 
C16 Ir1 C18 C17 -38.8(10) . . . . ? 
C15 Ir1 C18 C17 -81.2(11) . . . . ? 
Cl1 Ir1 C18 C17 51.8(10) . . . . ? 
C7 Ir1 C18 C14 -4.5(17) . . . . ? 
N1 Ir1 C18 C14 -98.5(10) . . . . ? 
C16 Ir1 C18 C14 83.0(11) . . . . ? 
C15 Ir1 C18 C14 40.6(10) . . . . ? 
C17 Ir1 C18 C14 121.8(14) . . . . ? 
Cl1 Ir1 C18 C14 173.7(8) . . . . ? 
C7 Ir1 C18 C23 112.3(17) . . . . ? 
N1 Ir1 C18 C23 18.2(16) . . . . ? 
C14 Ir1 C18 C23 117(2) . . . . ? 
C16 Ir1 C18 C23 -160.2(18) . . . . ? 
C15 Ir1 C18 C23 157.4(18) . . . . ? 
C17 Ir1 C18 C23 -121.4(19) . . . . ? 
Cl1 Ir1 C18 C23 -69.6(16) . . . . ? 
C29 C24 C25 C26 -1(3) . . . . ? 
C24 C25 C26 C27 2(3) . . . . ? 
C25 C26 C27 C28 -4(3) . . . . ? 
C26 C27 C28 C29 5(3) . . . . ? 
C27 C28 C29 C24 -4(3) . . . . ? 
C27 C28 C29 C30 177.4(19) . . . . ? 
C25 C24 C29 C28 2(3) . . . . ? 
C25 C24 C29 C30 -179.0(17) . . . . ? 
C28 C29 C30 C31 51(3) . . . . ? 
C24 C29 C30 C31 -127.5(18) . . . . ? 
C28 C29 C30 Ir2 -121.4(16) . . . . ? 
C24 C29 C30 Ir2 60(2) . . . . ? 
N3 Ir2 C30 C31 28.1(15) . . . . ? 
C40 Ir2 C30 C31 -65.4(17) . . . . ? 
C41 Ir2 C30 C31 -93.1(16) . . . . ? 
C37 Ir2 C30 C31 -131.8(15) . . . . ? 
C39 Ir2 C30 C31 -89(2) . . . . ? 
C38 Ir2 C30 C31 -148.3(14) . . . . ? 
Cl2 Ir2 C30 C31 112.0(15) . . . . ? 
N3 Ir2 C30 C29 -159.8(14) . . . . ? 
C40 Ir2 C30 C29 106.7(14) . . . . ? 
C41 Ir2 C30 C29 79.0(14) . . . . ? 
C37 Ir2 C30 C29 40.3(15) . . . . ? 
C39 Ir2 C30 C29 84(2) . . . . ? 
C38 Ir2 C30 C29 23.8(18) . . . . ? 
Cl2 Ir2 C30 C29 -76.0(13) . . . . ? 
C29 C30 C31 C32 176.9(18) . . . . ? 
Ir2 C30 C31 C32 -11(3) . . . . ? 
C30 C31 C32 O2 171.7(19) . . . . ? 
C30 C31 C32 C33 -14(3) . . . . ? 
C34 N3 C33 N4 0(2) . . . . ? 
Ir2 N3 C33 N4 -166.3(13) . . . . ? 
C34 N3 C33 C32 -171.9(18) . . . . ? 
Ir2 N3 C33 C32 21(3) . . . . ? 
C35 N4 C33 N3 1(2) . . . . ? 
C36 N4 C33 N3 -177.2(18) . . . . ? 
C35 N4 C33 C32 172.9(18) . . . . ? 
C36 N4 C33 C32 -5(3) . . . . ? 
O2 C32 C33 N3 -176.8(19) . . . . ? 
C31 C32 C33 N3 9(3) . . . . ? 
O2 C32 C33 N4 12(3) . . . . ? 
C31 C32 C33 N4 -162.5(19) . . . . ? 
C33 N3 C34 C35 -1(2) . . . . ? 
Ir2 N3 C34 C35 165.8(12) . . . . ? 
N3 C34 C35 N4 2(2) . . . . ? 
C33 N4 C35 C34 -1(2) . . . . ? 
C36 N4 C35 C34 176.5(17) . . . . ? 
C30 Ir2 C37 C41 83.1(11) . . . . ? 
N3 Ir2 C37 C41 -23(2) . . . . ? 
C40 Ir2 C37 C41 -37.4(10) . . . . ? 
C39 Ir2 C37 C41 -80.5(11) . . . . ? 
C38 Ir2 C37 C41 -115.1(15) . . . . ? 
Cl2 Ir2 C37 C41 -176.3(8) . . . . ? 
C30 Ir2 C37 C38 -161.8(10) . . . . ? 
N3 Ir2 C37 C38 92.4(17) . . . . ? 
C40 Ir2 C37 C38 77.7(11) . . . . ? 
C41 Ir2 C37 C38 115.1(15) . . . . ? 
C39 Ir2 C37 C38 34.6(9) . . . . ? 
Cl2 Ir2 C37 C38 -61.2(10) . . . . ? 
C30 Ir2 C37 C42 -39.0(17) . . . . ? 
N3 Ir2 C37 C42 -144.8(16) . . . . ? 
C40 Ir2 C37 C42 -159.5(18) . . . . ? 
C41 Ir2 C37 C42 -122(2) . . . . ? 
C39 Ir2 C37 C42 157.4(18) . . . . ? 
C38 Ir2 C37 C42 123(2) . . . . ? 
Cl2 Ir2 C37 C42 61.6(16) . . . . ? 
C41 C37 C38 C39 4.9(19) . . . . ? 
C42 C37 C38 C39 171.6(18) . . . . ? 
Ir2 C37 C38 C39 -57.8(12) . . . . ? 
C41 C37 C38 C43 178.6(15) . . . . ? 
C42 C37 C38 C43 -15(3) . . . . ? 
Ir2 C37 C38 C43 115.9(16) . . . . ? 
C41 C37 C38 Ir2 62.6(11) . . . . ? 
C42 C37 C38 Ir2 -131(2) . . . . ? 
C30 Ir2 C38 C39 147.6(10) . . . . ? 
N3 Ir2 C38 C39 -27.1(13) . . . . ? 
C40 Ir2 C38 C39 38.7(9) . . . . ? 
C41 Ir2 C38 C39 81.8(10) . . . . ? 
C37 Ir2 C38 C39 121.1(14) . . . . ? 
Cl2 Ir2 C38 C39 -111.8(9) . . . . ? 
C30 Ir2 C38 C37 26.5(14) . . . . ? 
N3 Ir2 C38 C37 -148.2(10) . . . . ? 
C40 Ir2 C38 C37 -82.4(11) . . . . ? 
C41 Ir2 C38 C37 -39.3(10) . . . . ? 
C39 Ir2 C38 C37 -121.1(14) . . . . ? 
Cl2 Ir2 C38 C37 127.1(10) . . . . ? 
C30 Ir2 C38 C43 -90.5(15) . . . . ? 
N3 Ir2 C38 C43 94.9(15) . . . . ? 
C40 Ir2 C38 C43 160.7(16) . . . . ? 
C41 Ir2 C38 C43 -156.3(16) . . . . ? 
C37 Ir2 C38 C43 -117.0(18) . . . . ? 
C39 Ir2 C38 C43 121.9(18) . . . . ? 
Cl2 Ir2 C38 C43 10.1(13) . . . . ? 
C37 C38 C39 C40 -3.1(19) . . . . ? 
C43 C38 C39 C40 -176.6(17) . . . . ? 
Ir2 C38 C39 C40 -60.0(12) . . . . ? 
C37 C38 C39 C44 -175.8(16) . . . . ? 
C43 C38 C39 C44 11(3) . . . . ? 
Ir2 C38 C39 C44 127.4(17) . . . . ? 
C37 C38 C39 Ir2 56.9(12) . . . . ? 
C43 C38 C39 Ir2 -116.6(17) . . . . ? 
C30 Ir2 C39 C38 -84.8(18) . . . . ? 
N3 Ir2 C39 C38 161.6(9) . . . . ? 
C40 Ir2 C39 C38 -117.0(13) . . . . ? 
C41 Ir2 C39 C38 -79.8(10) . . . . ? 
C37 Ir2 C39 C38 -36.4(9) . . . . ? 
Cl2 Ir2 C39 C38 74.0(9) . . . . ? 
C30 Ir2 C39 C40 32.2(19) . . . . ? 
N3 Ir2 C39 C40 -81.4(10) . . . . ? 
C41 Ir2 C39 C40 37.2(9) . . . . ? 
C37 Ir2 C39 C40 80.6(10) . . . . ? 
C38 Ir2 C39 C40 117.0(13) . . . . ? 
Cl2 Ir2 C39 C40 -169.0(8) . . . . ? 
C30 Ir2 C39 C44 151.1(16) . . . . ? 
N3 Ir2 C39 C44 37.5(15) . . . . ? 
C40 Ir2 C39 C44 118.9(17) . . . . ? 
C41 Ir2 C39 C44 156.1(16) . . . . ? 
C37 Ir2 C39 C44 -160.5(16) . . . . ? 
C38 Ir2 C39 C44 -124.1(18) . . . . ? 
Cl2 Ir2 C39 C44 -50.1(14) . . . . ? 
C38 C39 C40 C41 0(2) . . . . ? 
C44 C39 C40 C41 172.9(16) . . . . ? 
Ir2 C39 C40 C41 -63.4(14) . . . . ? 
C38 C39 C40 C45 -175.5(18) . . . . ? 
C44 C39 C40 C45 -3(3) . . . . ? 
Ir2 C39 C40 C45 120.9(19) . . . . ? 
C38 C39 C40 Ir2 63.6(11) . . . . ? 
C44 C39 C40 Ir2 -123.7(16) . . . . ? 
C30 Ir2 C40 C41 -48.3(12) . . . . ? 
N3 Ir2 C40 C41 -136.8(10) . . . . ? 
C37 Ir2 C40 C41 38.0(9) . . . . ? 
C39 Ir2 C40 C41 118.2(13) . . . . ? 
C38 Ir2 C40 C41 81.4(10) . . . . ? 
Cl2 Ir2 C40 C41 136.0(9) . . . . ? 
C30 Ir2 C40 C39 -166.5(9) . . . . ? 
N3 Ir2 C40 C39 105.0(9) . . . . ? 
C41 Ir2 C40 C39 -118.2(13) . . . . ? 
C37 Ir2 C40 C39 -80.2(9) . . . . ? 
C38 Ir2 C40 C39 -36.8(9) . . . . ? 
Cl2 Ir2 C40 C39 17.8(13) . . . . ? 
C30 Ir2 C40 C45 72.8(17) . . . . ? 
N3 Ir2 C40 C45 -15.7(16) . . . . ? 
C41 Ir2 C40 C45 121(2) . . . . ? 
C37 Ir2 C40 C45 159.1(18) . . . . ? 
C39 Ir2 C40 C45 -121(2) . . . . ? 
C38 Ir2 C40 C45 -157.5(18) . . . . ? 
Cl2 Ir2 C40 C45 -102.8(16) . . . . ? 
C39 C40 C41 C37 3(2) . . . . ? 
C45 C40 C41 C37 178.5(19) . . . . ? 
Ir2 C40 C41 C37 -61.1(12) . . . . ? 
C39 C40 C41 C46 -173.7(18) . . . . ? 
C45 C40 C41 C46 2(3) . . . . ? 
Ir2 C40 C41 C46 122.3(19) . . . . ? 
C39 C40 C41 Ir2 63.9(13) . . . . ? 
C45 C40 C41 Ir2 -120(2) . . . . ? 
C38 C37 C41 C40 -5(2) . . . . ? 
C42 C37 C41 C40 -171.1(19) . . . . ? 
Ir2 C37 C41 C40 60.0(13) . . . . ? 
C38 C37 C41 C46 171.9(18) . . . . ? 
C42 C37 C41 C46 5(3) . . . . ? 
Ir2 C37 C41 C46 -123.4(19) . . . . ? 
C38 C37 C41 Ir2 -64.7(11) . . . . ? 
C42 C37 C41 Ir2 129(2) . . . . ? 
C30 Ir2 C41 C40 140.5(10) . . . . ? 
N3 Ir2 C41 C40 52.9(12) . . . . ? 
C37 Ir2 C41 C40 -117.8(14) . . . . ? 
C39 Ir2 C41 C40 -37.6(10) . . . . ? 
C38 Ir2 C41 C40 -78.6(11) . . . . ? 
Cl2 Ir2 C41 C40 -110.3(12) . . . . ? 
C30 Ir2 C41 C37 -101.7(10) . . . . ? 
N3 Ir2 C41 C37 170.7(9) . . . . ? 
C40 Ir2 C41 C37 117.8(14) . . . . ? 
C39 Ir2 C41 C37 80.2(10) . . . . ? 
C38 Ir2 C41 C37 39.2(10) . . . . ? 
Cl2 Ir2 C41 C37 7.5(17) . . . . ? 
C30 Ir2 C41 C46 20.5(17) . . . . ? 
N3 Ir2 C41 C46 -67.1(18) . . . . ? 
C40 Ir2 C41 C46 -120(2) . . . . ? 
C37 Ir2 C41 C46 122(2) . . . . ? 
C39 Ir2 C41 C46 -157.6(18) . . . . ? 
C38 Ir2 C41 C46 161.4(19) . . . . ? 
Cl2 Ir2 C41 C46 129.8(14) . . . . ? 

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
