#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002106.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_7002106
loop_
_publ_author_name
'da Costa, André Pontes'
'Sanaú, Mercedes'
'Peris, Eduardo'
'Royo, Beatriz'
_publ_section_title
;
 Easy preparation of Cp*-functionalized N-heterocyclic carbenes and
 their coordination to rhodium and iridium
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              6960
_journal_paper_doi               10.1039/b901195a
_journal_year                    2009
_chemical_formula_sum            'C15 H21 Cl2 Ir N2'
_chemical_formula_weight         492.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.0640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.9908(5)
_cell_length_b                   13.1311(9)
_cell_length_c                   8.6289(6)
_cell_measurement_reflns_used    3700
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.93
_cell_measurement_theta_min      2.90
_cell_volume                     813.34(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4917
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    8.528
_exptl_absorpt_correction_T_max  0.1298
_exptl_absorpt_correction_T_min  0.1050
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fiber
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.531
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.107
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.157
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.248
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2241
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0308
_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)+(0.0073P)²+1.1732P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                2119
_reflns_number_total             2241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901195a.txt
_cod_data_source_block           str1000/Compound5
_cod_original_sg_symbol_H-M      Pn
_cod_database_code               7002106
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, z+1/2'
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 0.70824(15) 0.240136(19) 0.49534(15) 0.02978(12) Uani 1 1 d . . .
Cl1 Cl 0.4234(5) 0.1914(3) 0.2525(5) 0.0638(10) Uani 1 1 d . . .
C1 C 0.7894(15) 0.3277(8) 0.3449(14) 0.041(2) Uani 1 1 d . . .
N1 N 0.9692(14) 0.3276(8) 0.3626(13) 0.049(2) Uani 1 1 d . . .
Cl2 Cl 0.5634(6) 0.3874(3) 0.5499(5) 0.0647(9) Uani 1 1 d . . .
N2 N 0.7010(15) 0.3971(8) 0.2244(14) 0.053(3) Uani 1 1 d . . .
C2 C 0.501(2) 0.4254(13) 0.149(2) 0.086(6) Uani 1 1 d . . .
H2A H 0.4410 0.3882 0.2069 0.129 Uiso 1 1 calc R . .
H2B H 0.4426 0.4093 0.0287 0.129 Uiso 1 1 calc R . .
H2C H 0.4897 0.4971 0.1645 0.129 Uiso 1 1 calc R . .
C3 C 0.822(2) 0.4399(11) 0.1678(19) 0.068(4) Uani 1 1 d . . .
H3A H 0.7918 0.4895 0.0828 0.081 Uiso 1 1 calc R . .
C4 C 0.986(2) 0.3987(10) 0.2544(18) 0.060(3) Uani 1 1 d . . .
H4A H 1.0942 0.4148 0.2443 0.073 Uiso 1 1 calc R . .
C5 C 1.094(5) 0.2484(14) 0.443(3) 0.115(9) Uiso 1 1 d D . .
H5A H 1.0592 0.1935 0.3594 0.138 Uiso 1 1 calc R . .
H5B H 1.2148 0.2724 0.4572 0.138 Uiso 1 1 calc R . .
C6 C 1.123(3) 0.204(2) 0.597(3) 0.115(7) Uiso 1 1 d D . .
H6A H 1.1923 0.2526 0.6876 0.139 Uiso 1 1 calc R . .
H6B H 1.2036 0.1458 0.6136 0.139 Uiso 1 1 calc R . .
C11 C 0.8323(18) 0.0922(9) 0.5425(15) 0.047(3) Uani 1 1 d . . .
C12 C 0.7135(17) 0.0923(8) 0.6317(14) 0.044(3) Uani 1 1 d . . .
C13 C 0.7718(15) 0.1706(9) 0.7525(13) 0.042(2) Uani 1 1 d . . .
C14 C 0.929(2) 0.2240(11) 0.7488(19) 0.050(3) Uani 1 1 d . . .
C15 C 0.9701(17) 0.1719(11) 0.6212(18) 0.054(3) Uani 1 1 d . . .
C16 C 0.827(3) 0.0145(17) 0.417(3) 0.082(6) Uani 1 1 d . . .
H16A H 0.8940 -0.0448 0.4776 0.124 Uiso 1 1 calc R . .
H16B H 0.8826 0.0413 0.3475 0.124 Uiso 1 1 calc R . .
H16C H 0.6995 -0.0037 0.3446 0.124 Uiso 1 1 calc R . .
C17 C 0.560(2) 0.0198(16) 0.5900(19) 0.056(4) Uani 1 1 d . . .
H17A H 0.4931 0.0361 0.6558 0.084 Uiso 1 1 calc R . .
H17B H 0.6096 -0.0480 0.6179 0.084 Uiso 1 1 calc R . .
H17C H 0.4775 0.0238 0.4692 0.084 Uiso 1 1 calc R . .
C18 C 0.688(2) 0.1974(12) 0.8747(18) 0.064(4) Uani 1 1 d . . .
H18A H 0.5808 0.1555 0.8497 0.096 Uiso 1 1 calc R . .
H18B H 0.6517 0.2678 0.8603 0.096 Uiso 1 1 calc R . .
H18C H 0.7787 0.1859 0.9915 0.096 Uiso 1 1 calc R . .
C19 C 1.033(3) 0.3069(16) 0.871(2) 0.096(6) Uani 1 1 d . . .
H19A H 1.1189 0.2777 0.9791 0.144 Uiso 1 1 calc R . .
H19B H 0.9473 0.3504 0.8898 0.144 Uiso 1 1 calc R . .
H19C H 1.1011 0.3461 0.8236 0.144 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'
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
_geom_angle_publ_flag
C1 Ir1 C15 92.7(5) . . ?
C1 Ir1 C14 111.0(5) . . ?
C15 Ir1 C14 40.2(5) . . ?
C1 Ir1 C11 112.5(5) . . ?
C15 Ir1 C11 40.2(5) . . ?
C14 Ir1 C11 67.0(5) . . ?
C1 Ir1 C13 149.5(4) . . ?
C15 Ir1 C13 64.6(4) . . ?
C14 Ir1 C13 38.6(5) . . ?
C11 Ir1 C13 63.7(4) . . ?
C1 Ir1 C12 151.2(5) . . ?
C15 Ir1 C12 64.9(5) . . ?
C14 Ir1 C12 64.1(5) . . ?
C11 Ir1 C12 38.7(4) . . ?
C13 Ir1 C12 36.0(4) . . ?
C1 Ir1 Cl2 89.2(3) . . ?
C15 Ir1 Cl2 134.6(5) . . ?
C14 Ir1 Cl2 97.5(5) . . ?
C11 Ir1 Cl2 156.5(4) . . ?
C13 Ir1 Cl2 93.0(3) . . ?
C12 Ir1 Cl2 119.3(4) . . ?
C1 Ir1 Cl1 92.3(3) . . ?
C15 Ir1 Cl1 133.4(5) . . ?
C14 Ir1 Cl1 155.0(4) . . ?
C11 Ir1 Cl1 96.1(4) . . ?
C13 Ir1 Cl1 118.0(3) . . ?
C12 Ir1 Cl1 91.1(3) . . ?
Cl2 Ir1 Cl1 91.82(16) . . ?
N2 C1 N1 104.9(10) . . ?
N2 C1 Ir1 132.5(9) . . ?
N1 C1 Ir1 122.5(8) . . ?
C4 N1 C1 109.6(11) . . ?
C4 N1 C5 125.7(16) . . ?
C1 N1 C5 122.6(16) . . ?
C1 N2 C3 110.1(12) . . ?
C1 N2 C2 127.8(11) . . ?
C3 N2 C2 122.1(12) . . ?
C4 C3 N2 108.2(12) . . ?
C3 C4 N1 107.3(12) . . ?
C6 C5 N1 125(3) . . ?
C5 C6 C15 119(2) . . ?
C15 C11 C12 106.7(10) . . ?
C15 C11 C16 127.9(13) . . ?
C12 C11 C16 124.7(13) . . ?
C15 C11 Ir1 68.1(6) . . ?
C12 C11 Ir1 75.2(6) . . ?
C16 C11 Ir1 128.9(11) . . ?
C13 C12 C11 108.3(11) . . ?
C13 C12 C17 129.2(12) . . ?
C11 C12 C17 122.4(12) . . ?
C13 C12 Ir1 71.3(6) . . ?
C11 C12 Ir1 66.1(6) . . ?
C17 C12 Ir1 127.4(9) . . ?
C12 C13 C14 110.4(11) . . ?
C12 C13 C18 126.0(12) . . ?
C14 C13 C18 123.6(12) . . ?
C12 C13 Ir1 72.7(6) . . ?
C14 C13 Ir1 66.6(7) . . ?
C18 C13 Ir1 128.1(9) . . ?
C13 C14 C15 106.0(12) . . ?
C13 C14 C19 123.9(15) . . ?
C15 C14 C19 129.7(16) . . ?
C13 C14 Ir1 74.8(7) . . ?
C15 C14 Ir1 68.3(7) . . ?
C19 C14 Ir1 127.4(12) . . ?
C6 C15 C14 118.5(17) . . ?
C6 C15 C11 133.1(17) . . ?
C14 C15 C11 108.4(11) . . ?
C6 C15 Ir1 122.3(12) . . ?
C14 C15 Ir1 71.5(7) . . ?
C11 C15 Ir1 71.7(6) . . ?
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 C1 2.041(12) . ?
Ir1 C15 2.089(11) . ?
Ir1 C14 2.133(13) . ?
Ir1 C11 2.137(11) . ?
Ir1 C13 2.242(11) . ?
Ir1 C12 2.261(10) . ?
Ir1 Cl2 2.404(3) . ?
Ir1 Cl1 2.406(4) . ?
C1 N2 1.329(14) . ?
C1 N1 1.376(14) . ?
N1 C4 1.369(15) . ?
N1 C5 1.40(3) . ?
N2 C3 1.379(16) . ?
N2 C2 1.485(19) . ?
C3 C4 1.31(2) . ?
C5 C6 1.371(18) . ?
C6 C15 1.40(3) . ?
C11 C15 1.453(19) . ?
C11 C12 1.461(17) . ?
C11 C16 1.47(2) . ?
C12 C13 1.391(16) . ?
C12 C17 1.47(2) . ?
C13 C14 1.450(19) . ?
C13 C18 1.517(17) . ?
C14 C15 1.45(2) . ?
C14 C19 1.49(2) . ?
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
C15 Ir1 C1 N2 -179.1(12) . . . . ?
C14 Ir1 C1 N2 -142.3(11) . . . . ?
C11 Ir1 C1 N2 144.8(11) . . . . ?
C13 Ir1 C1 N2 -139.2(11) . . . . ?
C12 Ir1 C1 N2 143.6(11) . . . . ?
Cl2 Ir1 C1 N2 -44.5(11) . . . . ?
Cl1 Ir1 C1 N2 47.3(11) . . . . ?
C15 Ir1 C1 N1 -3.4(10) . . . . ?
C14 Ir1 C1 N1 33.4(11) . . . . ?
C11 Ir1 C1 N1 -39.5(10) . . . . ?
C13 Ir1 C1 N1 36.5(15) . . . . ?
C12 Ir1 C1 N1 -40.7(14) . . . . ?
Cl2 Ir1 C1 N1 131.1(9) . . . . ?
Cl1 Ir1 C1 N1 -137.1(9) . . . . ?
N2 C1 N1 C4 1.2(13) . . . . ?
Ir1 C1 N1 C4 -175.5(9) . . . . ?
N2 C1 N1 C5 -163.1(15) . . . . ?
Ir1 C1 N1 C5 20.2(18) . . . . ?
N1 C1 N2 C3 -0.2(14) . . . . ?
Ir1 C1 N2 C3 176.0(9) . . . . ?
N1 C1 N2 C2 177.3(14) . . . . ?
Ir1 C1 N2 C2 -6(2) . . . . ?
C1 N2 C3 C4 -1.0(16) . . . . ?
C2 N2 C3 C4 -178.6(14) . . . . ?
N2 C3 C4 N1 1.7(16) . . . . ?
C1 N1 C4 C3 -1.9(15) . . . . ?
C5 N1 C4 C3 161.9(17) . . . . ?
C4 N1 C5 C6 152(2) . . . . ?
C1 N1 C5 C6 -46(3) . . . . ?
N1 C5 C6 C15 50(4) . . . . ?
C1 Ir1 C11 C15 65.7(8) . . . . ?
C14 Ir1 C11 C15 -38.5(7) . . . . ?
C13 Ir1 C11 C15 -81.0(7) . . . . ?
C12 Ir1 C11 C15 -115.2(10) . . . . ?
Cl2 Ir1 C11 C15 -90.3(11) . . . . ?
Cl1 Ir1 C11 C15 160.7(7) . . . . ?
C1 Ir1 C11 C12 -179.1(6) . . . . ?
C15 Ir1 C11 C12 115.2(10) . . . . ?
C14 Ir1 C11 C12 76.8(8) . . . . ?
C13 Ir1 C11 C12 34.2(6) . . . . ?
Cl2 Ir1 C11 C12 24.9(14) . . . . ?
Cl1 Ir1 C11 C12 -84.1(7) . . . . ?
C1 Ir1 C11 C16 -56.1(15) . . . . ?
C15 Ir1 C11 C16 -121.8(17) . . . . ?
C14 Ir1 C11 C16 -160.3(16) . . . . ?
C13 Ir1 C11 C16 157.2(16) . . . . ?
C12 Ir1 C11 C16 123.0(18) . . . . ?
Cl2 Ir1 C11 C16 147.9(12) . . . . ?
Cl1 Ir1 C11 C16 38.9(15) . . . . ?
C15 C11 C12 C13 2.3(12) . . . . ?
C16 C11 C12 C13 173.8(13) . . . . ?
Ir1 C11 C12 C13 -58.9(8) . . . . ?
C15 C11 C12 C17 -178.4(12) . . . . ?
C16 C11 C12 C17 -7(2) . . . . ?
Ir1 C11 C12 C17 120.4(12) . . . . ?
C15 C11 C12 Ir1 61.2(7) . . . . ?
C16 C11 C12 Ir1 -127.4(14) . . . . ?
C1 Ir1 C12 C13 122.7(9) . . . . ?
C15 Ir1 C12 C13 80.8(8) . . . . ?
C14 Ir1 C12 C13 36.0(8) . . . . ?
C11 Ir1 C12 C13 120.9(10) . . . . ?
Cl2 Ir1 C12 C13 -48.0(8) . . . . ?
Cl1 Ir1 C12 C13 -140.7(7) . . . . ?
C1 Ir1 C12 C11 1.8(12) . . . . ?
C15 Ir1 C12 C11 -40.2(8) . . . . ?
C14 Ir1 C12 C11 -84.9(8) . . . . ?
C13 Ir1 C12 C11 -120.9(10) . . . . ?
Cl2 Ir1 C12 C11 -168.9(6) . . . . ?
Cl1 Ir1 C12 C11 98.4(7) . . . . ?
C1 Ir1 C12 C17 -111.8(13) . . . . ?
C15 Ir1 C12 C17 -153.7(14) . . . . ?
C14 Ir1 C12 C17 161.5(14) . . . . ?
C11 Ir1 C12 C17 -113.5(14) . . . . ?
C13 Ir1 C12 C17 125.6(15) . . . . ?
Cl2 Ir1 C12 C17 77.6(12) . . . . ?
Cl1 Ir1 C12 C17 -15.1(12) . . . . ?
C11 C12 C13 C14 -0.3(13) . . . . ?
C17 C12 C13 C14 -179.5(13) . . . . ?
Ir1 C12 C13 C14 -56.0(8) . . . . ?
C11 C12 C13 C18 -179.4(11) . . . . ?
C17 C12 C13 C18 1(2) . . . . ?
Ir1 C12 C13 C18 124.9(12) . . . . ?
C11 C12 C13 Ir1 55.7(7) . . . . ?
C17 C12 C13 Ir1 -123.4(13) . . . . ?
C1 Ir1 C13 C12 -126.9(10) . . . . ?
C15 Ir1 C13 C12 -81.6(8) . . . . ?
C14 Ir1 C13 C12 -122.1(11) . . . . ?
C11 Ir1 C13 C12 -36.7(7) . . . . ?
Cl2 Ir1 C13 C12 139.6(7) . . . . ?
Cl1 Ir1 C13 C12 45.9(8) . . . . ?
C1 Ir1 C13 C14 -4.7(13) . . . . ?
C15 Ir1 C13 C14 40.5(8) . . . . ?
C11 Ir1 C13 C14 85.4(9) . . . . ?
C12 Ir1 C13 C14 122.1(11) . . . . ?
Cl2 Ir1 C13 C14 -98.3(8) . . . . ?
Cl1 Ir1 C13 C14 168.0(7) . . . . ?
C1 Ir1 C13 C18 110.6(13) . . . . ?
C15 Ir1 C13 C18 155.8(13) . . . . ?
C14 Ir1 C13 C18 115.3(15) . . . . ?
C11 Ir1 C13 C18 -159.3(13) . . . . ?
C12 Ir1 C13 C18 -122.5(14) . . . . ?
Cl2 Ir1 C13 C18 17.0(11) . . . . ?
Cl1 Ir1 C13 C18 -76.7(12) . . . . ?
C12 C13 C14 C15 -1.8(13) . . . . ?
C18 C13 C14 C15 177.3(11) . . . . ?
Ir1 C13 C14 C15 -61.5(8) . . . . ?
C12 C13 C14 C19 -175.3(14) . . . . ?
C18 C13 C14 C19 4(2) . . . . ?
Ir1 C13 C14 C19 125.1(16) . . . . ?
C12 C13 C14 Ir1 59.6(8) . . . . ?
C18 C13 C14 Ir1 -121.3(11) . . . . ?
C1 Ir1 C14 C13 177.4(7) . . . . ?
C15 Ir1 C14 C13 -114.6(11) . . . . ?
C11 Ir1 C14 C13 -76.2(8) . . . . ?
C12 Ir1 C14 C13 -33.6(7) . . . . ?
Cl2 Ir1 C14 C13 85.4(7) . . . . ?
Cl1 Ir1 C14 C13 -25.7(16) . . . . ?
C1 Ir1 C14 C15 -67.9(9) . . . . ?
C11 Ir1 C14 C15 38.5(8) . . . . ?
C13 Ir1 C14 C15 114.6(11) . . . . ?
C12 Ir1 C14 C15 81.0(9) . . . . ?
Cl2 Ir1 C14 C15 -160.0(8) . . . . ?
Cl1 Ir1 C14 C15 88.9(13) . . . . ?
C1 Ir1 C14 C19 56.2(18) . . . . ?
C15 Ir1 C14 C19 124(2) . . . . ?
C11 Ir1 C14 C19 162.6(18) . . . . ?
C13 Ir1 C14 C19 -121(2) . . . . ?
C12 Ir1 C14 C19 -154.9(18) . . . . ?
Cl2 Ir1 C14 C19 -35.9(17) . . . . ?
Cl1 Ir1 C14 C19 -147.0(13) . . . . ?
C5 C6 C15 C14 -113(2) . . . . ?
C5 C6 C15 C11 67(3) . . . . ?
C5 C6 C15 Ir1 -28(3) . . . . ?
C13 C14 C15 C6 -176.7(14) . . . . ?
C19 C14 C15 C6 -4(2) . . . . ?
Ir1 C14 C15 C6 117.4(15) . . . . ?
C13 C14 C15 C11 3.3(13) . . . . ?
C19 C14 C15 C11 176.2(15) . . . . ?
Ir1 C14 C15 C11 -62.6(8) . . . . ?
C13 C14 C15 Ir1 65.9(8) . . . . ?
C19 C14 C15 Ir1 -121.2(17) . . . . ?
C12 C11 C15 C6 176.5(17) . . . . ?
C16 C11 C15 C6 5(3) . . . . ?
Ir1 C11 C15 C6 -117.5(18) . . . . ?
C12 C11 C15 C14 -3.5(13) . . . . ?
C16 C11 C15 C14 -174.6(14) . . . . ?
Ir1 C11 C15 C14 62.5(8) . . . . ?
C12 C11 C15 Ir1 -66.0(7) . . . . ?
C16 C11 C15 Ir1 123.0(15) . . . . ?
C1 Ir1 C15 C6 7.4(17) . . . . ?
C14 Ir1 C15 C6 -113(2) . . . . ?
C11 Ir1 C15 C6 130(2) . . . . ?
C13 Ir1 C15 C6 -151.5(19) . . . . ?
C12 Ir1 C15 C6 168.6(19) . . . . ?
Cl2 Ir1 C15 C6 -84.2(17) . . . . ?
Cl1 Ir1 C15 C6 103.0(17) . . . . ?
C1 Ir1 C15 C14 120.0(8) . . . . ?
C11 Ir1 C15 C14 -117.5(11) . . . . ?
C13 Ir1 C15 C14 -38.9(8) . . . . ?
C12 Ir1 C15 C14 -78.9(8) . . . . ?
Cl2 Ir1 C15 C14 28.4(10) . . . . ?
Cl1 Ir1 C15 C14 -144.4(7) . . . . ?
C1 Ir1 C15 C11 -122.5(7) . . . . ?
C14 Ir1 C15 C11 117.5(11) . . . . ?
C13 Ir1 C15 C11 78.6(7) . . . . ?
C12 Ir1 C15 C11 38.6(7) . . . . ?
Cl2 Ir1 C15 C11 145.9(6) . . . . ?
Cl1 Ir1 C15 C11 -26.9(9) . . . . ?
