# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1031569'
_audit_update_record             
;
2014-10-29 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H36 Cl3 Ir N2'
_chemical_formula_weight         663.11

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'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.516(6)
_cell_length_b                   9.914(6)
_cell_length_c                   14.152(8)
_cell_angle_alpha                95.215(7)
_cell_angle_beta                 95.676(10)
_cell_angle_gamma                105.908(5)
_cell_volume                     1267.9(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             656
_exptl_absorpt_coefficient_mu    5.597
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4007
_exptl_absorpt_correction_T_max  0.6045
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10805
_diffrn_reflns_av_R_equivalents  0.1008
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         24.99
_reflns_number_total             4452
_reflns_number_gt                4252
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0515P)²+0.9666P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4452
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1093
_refine_ls_wR_factor_gt          0.1082
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.21810(2) 0.26883(2) 0.149461(14) 0.01779(12) Uani 1 1 d . . .
Cl1 Cl -0.04265(18) 0.18830(18) 0.12013(12) 0.0292(4) Uani 1 1 d . . .
N1 N 0.2003(5) 0.5437(5) 0.0656(3) 0.0196(11) Uani 1 1 d . . .
N2 N 0.1989(6) 0.5640(5) 0.2174(3) 0.0198(11) Uani 1 1 d . . .
C21 C 0.2315(7) 0.0780(7) 0.2114(5) 0.0233(13) Uani 1 1 d . . .
H29 H 0.1403 0.0261 0.2339 0.028 Uiso 1 1 calc R . .
C4 C 0.2058(6) 0.4696(7) 0.1431(4) 0.0182(13) Uani 1 1 d . . .
C3 C 0.1862(7) 0.6897(7) 0.1870(4) 0.0229(13) Uani 1 1 d . . .
H5 H 0.1785 0.7681 0.2252 0.027 Uiso 1 1 calc R . .
C7 C 0.2202(7) 0.7351(7) 0.4424(4) 0.0234(13) Uani 1 1 d . . .
C2 C 0.1873(7) 0.6765(7) 0.0925(4) 0.0249(14) Uani 1 1 d . . .
H4 H 0.1806 0.7441 0.0522 0.030 Uiso 1 1 calc R . .
C11 C -0.0238(7) 0.5763(7) 0.3808(4) 0.0239(14) Uani 1 1 d . . .
C6 C 0.1281(7) 0.6171(7) 0.3810(4) 0.0237(13) Uani 1 1 d . . .
C20 C 0.3692(8) 0.1024(7) 0.2828(5) 0.0289(15) Uani 1 1 d . . .
H28 H 0.4345 0.0536 0.2561 0.035 Uiso 1 1 calc R . .
H27 H 0.3416 0.0629 0.3408 0.035 Uiso 1 1 calc R . .
C9 C 0.0015(7) 0.7646(7) 0.5084(4) 0.0224(13) Uani 1 1 d . . .
C22 C 0.2318(8) 0.0538(7) 0.1123(5) 0.0257(14) Uani 1 1 d . . .
H30 H 0.1411 -0.0121 0.0778 0.031 Uiso 1 1 calc R . .
C8 C 0.1554(8) 0.8077(7) 0.5076(4) 0.0269(14) Uani 1 1 d . . .
C18 C 0.4293(7) 0.3499(7) 0.2295(5) 0.0281(15) Uani 1 1 d . . .
H24 H 0.4556 0.4513 0.2514 0.034 Uiso 1 1 calc R . .
C17 C 0.4431(7) 0.3183(7) 0.1319(5) 0.0279(15) Uani 1 1 d . . .
H23 H 0.4778 0.4017 0.0990 0.033 Uiso 1 1 calc R . .
C1 C 0.1998(8) 0.4839(7) -0.0328(4) 0.0297(15) Uani 1 1 d . . .
H1 H 0.2099 0.3902 -0.0332 0.045 Uiso 1 1 calc R . .
H2 H 0.2805 0.5421 -0.0596 0.045 Uiso 1 1 calc R . .
H3 H 0.1087 0.4803 -0.0701 0.045 Uiso 1 1 calc R . .
C10 C -0.0881(7) 0.6507(7) 0.4450(4) 0.0257(14) Uani 1 1 d . . .
C19 C 0.4518(8) 0.2614(8) 0.3077(5) 0.0355(17) Uani 1 1 d . . .
H25 H 0.4191 0.2974 0.3651 0.043 Uiso 1 1 calc R . .
H26 H 0.5563 0.2719 0.3219 0.043 Uiso 1 1 calc R . .
C5 C 0.1986(8) 0.5283(7) 0.3176(4) 0.0256(14) Uani 1 1 d . . .
H6 H 0.2994 0.5418 0.3457 0.031 Uiso 1 1 calc R . .
H7 H 0.1459 0.4293 0.3163 0.031 Uiso 1 1 calc R . .
C23 C 0.3705(7) 0.0551(7) 0.0664(5) 0.0285(15) Uani 1 1 d . . .
H31 H 0.3463 0.0432 -0.0027 0.034 Uiso 1 1 calc R . .
H32 H 0.4039 -0.0246 0.0834 0.034 Uiso 1 1 calc R . .
C24 C 0.4964(8) 0.1914(8) 0.0968(5) 0.0339(16) Uani 1 1 d . . .
H33 H 0.5504 0.2144 0.0430 0.041 Uiso 1 1 calc R . .
H34 H 0.5639 0.1752 0.1476 0.041 Uiso 1 1 calc R . .
C16 C -0.1220(8) 0.4503(8) 0.3114(5) 0.0322(16) Uani 1 1 d . . .
H20 H -0.0619 0.4117 0.2725 0.048 Uiso 1 1 calc R . .
H21 H -0.1914 0.4813 0.2713 0.048 Uiso 1 1 calc R . .
H22 H -0.1742 0.3792 0.3471 0.048 Uiso 1 1 calc R . .
C12 C 0.3846(8) 0.7847(9) 0.4371(6) 0.0383(18) Uani 1 1 d . . .
H8 H 0.4096 0.7234 0.3892 0.057 Uiso 1 1 calc R . .
H9 H 0.4376 0.7826 0.4980 0.057 Uiso 1 1 calc R . .
H10 H 0.4107 0.8795 0.4207 0.057 Uiso 1 1 calc R . .
C15 C -0.2541(8) 0.6045(9) 0.4451(5) 0.0381(18) Uani 1 1 d . . .
H17 H -0.2806 0.6649 0.4929 0.057 Uiso 1 1 calc R . .
H18 H -0.2847 0.5087 0.4591 0.057 Uiso 1 1 calc R . .
H19 H -0.3019 0.6109 0.3833 0.057 Uiso 1 1 calc R . .
C13 C 0.2517(9) 0.9307(9) 0.5783(5) 0.0407(18) Uani 1 1 d . . .
H11 H 0.1908 0.9683 0.6172 0.061 Uiso 1 1 calc R . .
H12 H 0.3051 1.0032 0.5440 0.061 Uiso 1 1 calc R . .
H13 H 0.3200 0.8984 0.6184 0.061 Uiso 1 1 calc R . .
C14 C -0.0628(9) 0.8465(9) 0.5811(5) 0.0383(18) Uani 1 1 d . . .
H14 H -0.1678 0.8068 0.5743 0.057 Uiso 1 1 calc R . .
H15 H -0.0396 0.9438 0.5700 0.057 Uiso 1 1 calc R . .
H16 H -0.0212 0.8403 0.6446 0.057 Uiso 1 1 calc R . .
Cl2 Cl 0.8661(2) 0.7936(2) 0.24545(15) 0.0458(5) Uani 1 1 d . . .
Cl3 Cl 0.5651(3) 0.7696(3) 0.1703(2) 0.0733(7) Uiso 1 1 d . . .
C25 C 0.7508(9) 0.8479(8) 0.1616(6) 0.0407(18) Uani 1 1 d . . .
H35 H 0.7716 0.9499 0.1722 0.049 Uiso 1 1 calc R . .
H36 H 0.7712 0.8226 0.0976 0.049 Uiso 1 1 calc R . .


_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 C4 2.035(7) . ?
Ir1 C17 2.106(7) . ?
Ir1 C18 2.114(6) . ?
Ir1 C21 2.185(6) . ?
Ir1 C22 2.191(7) . ?
Ir1 Cl1 2.370(2) . ?
N1 C2 1.378(8) . ?
N1 C4 1.378(8) . ?
N1 C1 1.462(8) . ?
N2 C4 1.362(8) . ?
N2 C3 1.387(8) . ?
N2 C5 1.492(7) . ?
C21 C22 1.401(9) . ?
C21 C20 1.522(9) . ?
C21 H29 0.9800 . ?
C3 C2 1.334(9) . ?
C3 H5 0.9300 . ?
C7 C8 1.408(9) . ?
C7 C6 1.413(9) . ?
C7 C12 1.518(10) . ?
C2 H4 0.9300 . ?
C11 C6 1.390(9) . ?
C11 C10 1.407(9) . ?
C11 C16 1.533(9) . ?
C6 C5 1.526(9) . ?
C20 C19 1.547(10) . ?
C20 H28 0.9700 . ?
C20 H27 0.9700 . ?
C9 C10 1.393(9) . ?
C9 C8 1.410(9) . ?
C9 C14 1.529(9) . ?
C22 C23 1.525(9) . ?
C22 H30 0.9800 . ?
C8 C13 1.521(9) . ?
C18 C17 1.415(10) . ?
C18 C19 1.507(10) . ?
C18 H24 0.9800 . ?
C17 C24 1.541(10) . ?
C17 H23 0.9800 . ?
C1 H1 0.9600 . ?
C1 H2 0.9600 . ?
C1 H3 0.9600 . ?
C10 C15 1.520(9) . ?
C19 H25 0.9700 . ?
C19 H26 0.9700 . ?
C5 H6 0.9700 . ?
C5 H7 0.9700 . ?
C23 C24 1.534(10) . ?
C23 H31 0.9700 . ?
C23 H32 0.9700 . ?
C24 H33 0.9700 . ?
C24 H34 0.9700 . ?
C16 H20 0.9600 . ?
C16 H21 0.9600 . ?
C16 H22 0.9600 . ?
C12 H8 0.9600 . ?
C12 H9 0.9600 . ?
C12 H10 0.9600 . ?
C15 H17 0.9600 . ?
C15 H18 0.9600 . ?
C15 H19 0.9600 . ?
C13 H11 0.9600 . ?
C13 H12 0.9600 . ?
C13 H13 0.9600 . ?
C14 H14 0.9600 . ?
C14 H15 0.9600 . ?
C14 H16 0.9600 . ?
Cl2 C25 1.757(8) . ?
Cl3 C25 1.747(9) . ?
C25 H35 0.9700 . ?
C25 H36 0.9700 . ?

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
C4 Ir1 C17 94.5(2) . . ?
C4 Ir1 C18 89.7(2) . . ?
C17 Ir1 C18 39.2(3) . . ?
C4 Ir1 C21 159.0(3) . . ?
C17 Ir1 C21 90.5(3) . . ?
C18 Ir1 C21 81.5(2) . . ?
C4 Ir1 C22 163.6(3) . . ?
C17 Ir1 C22 81.4(3) . . ?
C18 Ir1 C22 96.9(3) . . ?
C21 Ir1 C22 37.4(2) . . ?
C4 Ir1 Cl1 88.70(17) . . ?
C17 Ir1 Cl1 162.9(2) . . ?
C18 Ir1 Cl1 157.8(2) . . ?
C21 Ir1 Cl1 92.40(17) . . ?
C22 Ir1 Cl1 90.74(19) . . ?
C2 N1 C4 111.5(5) . . ?
C2 N1 C1 125.0(5) . . ?
C4 N1 C1 123.4(5) . . ?
C4 N2 C3 111.8(5) . . ?
C4 N2 C5 122.1(5) . . ?
C3 N2 C5 126.1(5) . . ?
C22 C21 C20 122.7(6) . . ?
C22 C21 Ir1 71.5(4) . . ?
C20 C21 Ir1 112.9(4) . . ?
C22 C21 H29 114.2 . . ?
C20 C21 H29 114.2 . . ?
Ir1 C21 H29 114.2 . . ?
N2 C4 N1 102.8(5) . . ?
N2 C4 Ir1 127.0(4) . . ?
N1 C4 Ir1 130.2(4) . . ?
C2 C3 N2 106.8(6) . . ?
C2 C3 H5 126.6 . . ?
N2 C3 H5 126.6 . . ?
C8 C7 C6 118.4(6) . . ?
C8 C7 C12 120.7(6) . . ?
C6 C7 C12 120.9(6) . . ?
C3 C2 N1 107.2(5) . . ?
C3 C2 H4 126.4 . . ?
N1 C2 H4 126.4 . . ?
C6 C11 C10 119.8(6) . . ?
C6 C11 C16 120.6(6) . . ?
C10 C11 C16 119.7(6) . . ?
C11 C6 C7 121.5(6) . . ?
C11 C6 C5 119.6(6) . . ?
C7 C6 C5 118.9(6) . . ?
C21 C20 C19 111.7(5) . . ?
C21 C20 H28 109.3 . . ?
C19 C20 H28 109.3 . . ?
C21 C20 H27 109.3 . . ?
C19 C20 H27 109.3 . . ?
H28 C20 H27 107.9 . . ?
C10 C9 C8 120.8(6) . . ?
C10 C9 C14 121.5(6) . . ?
C8 C9 C14 117.7(6) . . ?
C21 C22 C23 123.2(6) . . ?
C21 C22 Ir1 71.1(4) . . ?
C23 C22 Ir1 111.2(4) . . ?
C21 C22 H30 114.5 . . ?
C23 C22 H30 114.5 . . ?
Ir1 C22 H30 114.5 . . ?
C7 C8 C9 120.0(6) . . ?
C7 C8 C13 120.0(6) . . ?
C9 C8 C13 120.0(6) . . ?
C17 C18 C19 125.5(6) . . ?
C17 C18 Ir1 70.1(4) . . ?
C19 C18 Ir1 111.7(5) . . ?
C17 C18 H24 113.8 . . ?
C19 C18 H24 113.8 . . ?
Ir1 C18 H24 113.8 . . ?
C18 C17 C24 121.5(6) . . ?
C18 C17 Ir1 70.7(4) . . ?
C24 C17 Ir1 115.1(5) . . ?
C18 C17 H23 114.2 . . ?
C24 C17 H23 114.2 . . ?
Ir1 C17 H23 114.2 . . ?
N1 C1 H1 109.5 . . ?
N1 C1 H2 109.5 . . ?
H1 C1 H2 109.5 . . ?
N1 C1 H3 109.5 . . ?
H1 C1 H3 109.5 . . ?
H2 C1 H3 109.5 . . ?
C9 C10 C11 119.5(6) . . ?
C9 C10 C15 121.0(6) . . ?
C11 C10 C15 119.5(6) . . ?
C18 C19 C20 114.1(6) . . ?
C18 C19 H25 108.7 . . ?
C20 C19 H25 108.7 . . ?
C18 C19 H26 108.7 . . ?
C20 C19 H26 108.7 . . ?
H25 C19 H26 107.6 . . ?
N2 C5 C6 113.5(5) . . ?
N2 C5 H6 108.9 . . ?
C6 C5 H6 108.9 . . ?
N2 C5 H7 108.9 . . ?
C6 C5 H7 108.9 . . ?
H6 C5 H7 107.7 . . ?
C22 C23 C24 113.3(6) . . ?
C22 C23 H31 108.9 . . ?
C24 C23 H31 108.9 . . ?
C22 C23 H32 108.9 . . ?
C24 C23 H32 108.9 . . ?
H31 C23 H32 107.7 . . ?
C23 C24 C17 113.2(6) . . ?
C23 C24 H33 108.9 . . ?
C17 C24 H33 108.9 . . ?
C23 C24 H34 108.9 . . ?
C17 C24 H34 108.9 . . ?
H33 C24 H34 107.7 . . ?
C11 C16 H20 109.5 . . ?
C11 C16 H21 109.5 . . ?
H20 C16 H21 109.5 . . ?
C11 C16 H22 109.5 . . ?
H20 C16 H22 109.5 . . ?
H21 C16 H22 109.5 . . ?
C7 C12 H8 109.5 . . ?
C7 C12 H9 109.5 . . ?
H8 C12 H9 109.5 . . ?
C7 C12 H10 109.5 . . ?
H8 C12 H10 109.5 . . ?
H9 C12 H10 109.5 . . ?
C10 C15 H17 109.5 . . ?
C10 C15 H18 109.5 . . ?
H17 C15 H18 109.5 . . ?
C10 C15 H19 109.5 . . ?
H17 C15 H19 109.5 . . ?
H18 C15 H19 109.5 . . ?
C8 C13 H11 109.5 . . ?
C8 C13 H12 109.5 . . ?
H11 C13 H12 109.5 . . ?
C8 C13 H13 109.5 . . ?
H11 C13 H13 109.5 . . ?
H12 C13 H13 109.5 . . ?
C9 C14 H14 109.5 . . ?
C9 C14 H15 109.5 . . ?
H14 C14 H15 109.5 . . ?
C9 C14 H16 109.5 . . ?
H14 C14 H16 109.5 . . ?
H15 C14 H16 109.5 . . ?
Cl3 C25 Cl2 111.4(4) . . ?
Cl3 C25 H35 109.4 . . ?
Cl2 C25 H35 109.4 . . ?
Cl3 C25 H36 109.4 . . ?
Cl2 C25 H36 109.4 . . ?
H35 C25 H36 108.0 . . ?

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
C4 Ir1 C21 C22 -179.3(6) . . . . ?
C17 Ir1 C21 C22 -75.1(4) . . . . ?
C18 Ir1 C21 C22 -113.3(4) . . . . ?
Cl1 Ir1 C21 C22 88.1(4) . . . . ?
C4 Ir1 C21 C20 -60.8(9) . . . . ?
C17 Ir1 C21 C20 43.4(5) . . . . ?
C18 Ir1 C21 C20 5.2(5) . . . . ?
C22 Ir1 C21 C20 118.5(6) . . . . ?
Cl1 Ir1 C21 C20 -153.4(4) . . . . ?
C3 N2 C4 N1 1.3(6) . . . . ?
C5 N2 C4 N1 178.8(5) . . . . ?
C3 N2 C4 Ir1 -177.9(4) . . . . ?
C5 N2 C4 Ir1 -0.4(8) . . . . ?
C2 N1 C4 N2 -1.3(6) . . . . ?
C1 N1 C4 N2 -178.0(5) . . . . ?
C2 N1 C4 Ir1 177.9(4) . . . . ?
C1 N1 C4 Ir1 1.2(9) . . . . ?
C17 Ir1 C4 N2 -105.1(5) . . . . ?
C18 Ir1 C4 N2 -66.2(5) . . . . ?
C21 Ir1 C4 N2 -1.6(10) . . . . ?
C22 Ir1 C4 N2 179.9(7) . . . . ?
Cl1 Ir1 C4 N2 91.7(5) . . . . ?
C17 Ir1 C4 N1 75.8(6) . . . . ?
C18 Ir1 C4 N1 114.8(6) . . . . ?
C21 Ir1 C4 N1 179.4(5) . . . . ?
C22 Ir1 C4 N1 0.9(12) . . . . ?
Cl1 Ir1 C4 N1 -87.3(5) . . . . ?
C4 N2 C3 C2 -0.9(7) . . . . ?
C5 N2 C3 C2 -178.3(6) . . . . ?
N2 C3 C2 N1 0.1(7) . . . . ?
C4 N1 C2 C3 0.7(7) . . . . ?
C1 N1 C2 C3 177.4(6) . . . . ?
C10 C11 C6 C7 -2.0(9) . . . . ?
C16 C11 C6 C7 178.2(6) . . . . ?
C10 C11 C6 C5 174.6(5) . . . . ?
C16 C11 C6 C5 -5.1(9) . . . . ?
C8 C7 C6 C11 3.1(9) . . . . ?
C12 C7 C6 C11 -175.7(6) . . . . ?
C8 C7 C6 C5 -173.6(5) . . . . ?
C12 C7 C6 C5 7.6(9) . . . . ?
C22 C21 C20 C19 92.3(8) . . . . ?
Ir1 C21 C20 C19 10.2(7) . . . . ?
C20 C21 C22 C23 -2.4(10) . . . . ?
Ir1 C21 C22 C23 103.5(6) . . . . ?
C20 C21 C22 Ir1 -105.9(6) . . . . ?
C4 Ir1 C22 C21 179.1(7) . . . . ?
C17 Ir1 C22 C21 102.3(4) . . . . ?
C18 Ir1 C22 C21 66.2(4) . . . . ?
Cl1 Ir1 C22 C21 -93.0(4) . . . . ?
C4 Ir1 C22 C23 59.9(10) . . . . ?
C17 Ir1 C22 C23 -16.9(4) . . . . ?
C18 Ir1 C22 C23 -53.0(5) . . . . ?
C21 Ir1 C22 C23 -119.2(6) . . . . ?
Cl1 Ir1 C22 C23 147.8(4) . . . . ?
C6 C7 C8 C9 -1.9(9) . . . . ?
C12 C7 C8 C9 176.8(6) . . . . ?
C6 C7 C8 C13 176.9(6) . . . . ?
C12 C7 C8 C13 -4.3(9) . . . . ?
C10 C9 C8 C7 -0.2(9) . . . . ?
C14 C9 C8 C7 179.6(6) . . . . ?
C10 C9 C8 C13 -179.1(6) . . . . ?
C14 C9 C8 C13 0.7(9) . . . . ?
C4 Ir1 C18 C17 -97.6(4) . . . . ?
C21 Ir1 C18 C17 101.5(4) . . . . ?
C22 Ir1 C18 C17 67.3(4) . . . . ?
Cl1 Ir1 C18 C17 176.6(4) . . . . ?
C4 Ir1 C18 C19 141.0(5) . . . . ?
C17 Ir1 C18 C19 -121.4(7) . . . . ?
C21 Ir1 C18 C19 -19.9(5) . . . . ?
C22 Ir1 C18 C19 -54.1(5) . . . . ?
Cl1 Ir1 C18 C19 55.2(8) . . . . ?
C19 C18 C17 C24 -5.2(10) . . . . ?
Ir1 C18 C17 C24 -108.2(6) . . . . ?
C19 C18 C17 Ir1 103.0(7) . . . . ?
C4 Ir1 C17 C18 83.9(4) . . . . ?
C21 Ir1 C17 C18 -75.7(4) . . . . ?
C22 Ir1 C17 C18 -112.1(4) . . . . ?
Cl1 Ir1 C17 C18 -175.7(5) . . . . ?
C4 Ir1 C17 C24 -159.5(5) . . . . ?
C18 Ir1 C17 C24 116.6(7) . . . . ?
C21 Ir1 C17 C24 40.8(5) . . . . ?
C22 Ir1 C17 C24 4.5(5) . . . . ?
Cl1 Ir1 C17 C24 -59.1(9) . . . . ?
C8 C9 C10 C11 1.3(9) . . . . ?
C14 C9 C10 C11 -178.5(6) . . . . ?
C8 C9 C10 C15 -179.5(6) . . . . ?
C14 C9 C10 C15 0.7(10) . . . . ?
C6 C11 C10 C9 -0.2(9) . . . . ?
C16 C11 C10 C9 179.6(6) . . . . ?
C6 C11 C10 C15 -179.3(6) . . . . ?
C16 C11 C10 C15 0.4(9) . . . . ?
C17 C18 C19 C20 -48.5(9) . . . . ?
Ir1 C18 C19 C20 31.9(8) . . . . ?
C21 C20 C19 C18 -27.5(8) . . . . ?
C4 N2 C5 C6 -155.9(6) . . . . ?
C3 N2 C5 C6 21.2(9) . . . . ?
C11 C6 C5 N2 84.7(7) . . . . ?
C7 C6 C5 N2 -98.5(7) . . . . ?
C21 C22 C23 C24 -54.3(8) . . . . ?
Ir1 C22 C23 C24 26.5(7) . . . . ?
C22 C23 C24 C17 -23.3(8) . . . . ?
C18 C17 C24 C23 90.7(8) . . . . ?
Ir1 C17 C24 C23 8.8(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         3.308
_refine_diff_density_min         -2.982
_refine_diff_density_rms         0.206

