data_global _audit_creation_date 2020-10-26 _audit_creation_method 'by CrystalStructure 4.2.1' _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 (2016). CrystalStructure. Version 4.2.1. Rigaku Corporation, Tokyo, Japan. Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122. SHELXS97 Sheldrick, G.M. (1997). SHELXL97. University of Gottingen, Germany. Rigaku Oxford Diffraction (2019), CrysAlisPro. version 1.171.40.43a. 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 'C21 H25 Cl Ir N3' _chemical_formula_moiety 'C21 H25 Cl Ir N3' _chemical_formula_weight 547.12 _chemical_melting_point ? #============================================================================== # CRYSTAL DATA _space_group_crystal_system triclinic _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _space_group_IT_number 2 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 '+X,+Y,+Z' 2 '-X,-Y,-Z' #------------------------------------------------------------------------------ _cell_length_a 11.1967(4) _cell_length_b 22.1378(5) _cell_length_c 24.3143(5) _cell_angle_alpha 76.5190(19) _cell_angle_beta 88.790(2) _cell_angle_gamma 86.768(2) _cell_volume 5851.2(3) _cell_formula_units_Z 12 _cell_measurement_reflns_used 13570 _cell_measurement_theta_min 3.80 _cell_measurement_theta_max 68.07 _cell_measurement_temperature 123 #------------------------------------------------------------------------------ _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.100 _exptl_crystal_density_diffrn 1.863 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3192.00 _exptl_absorpt_coefficient_mu 14.279 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.43a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_correction_T_min 0.039 _exptl_absorpt_correction_T_max 0.240 #============================================================================== # 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 \w _diffrn_detector_area_resol_mean 10.000 _diffrn_reflns_number 64754 _diffrn_reflns_av_R_equivalents 0.1231 _diffrn_reflns_theta_max 68.760 _diffrn_reflns_theta_min 3.739 _diffrn_reflns_theta_full 68.760 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measured_fraction_theta_full 0.970 _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 -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 28 _diffrn_standards_number 0 _diffrn_standards_interval_count . _diffrn_standards_decay_% ? _reflns_number_total 21022 _reflns_number_gt 10759 _reflns_threshold_expression F^2^>2.0\s(F^2^) #============================================================================== # REFINEMENT DATA _refine_special_details ; Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_all 0.1391 _refine_ls_R_factor_gt 0.1148 _refine_ls_wR_factor_ref 0.3475 _refine_ls_wR_factor_gt 0.3017 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment constr _refine_ls_number_reflns 21022 _refine_ls_number_parameters 1405 _refine_ls_goodness_of_fit_ref 1.116 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_shift/su_max 0.196 _refine_diff_density_max 7.70 _refine_diff_density_min -6.17 _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 'C' 'C' 0.0181 0.0091 ; 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) ; 'N' 'N' 0.0311 0.0180 ; 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) ; 'Ir' 'Ir' -4.7710 6.5667 ; 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 0.88978(4) 0.16277(2) 0.257532(19) 0.0220(2) Uani 1 1 d . . . Ir2 Ir 0.77699(4) 0.49570(2) 0.409063(19) 0.0224(2) Uani 1 1 d . . . Ir3 Ir 0.55288(5) 0.83435(2) 0.422821(19) 0.0221(2) Uani 1 1 d . . . Ir4 Ir 0.43021(4) 0.16872(2) 0.07091(2) 0.0200(2) Uani 1 1 d . . . Ir5 Ir 0.23225(4) 0.49449(2) 0.094471(19) 0.0211(2) Uani 1 1 d . . . Ir6 Ir 0.10247(4) 0.83060(2) 0.239686(18) 0.0199(2) Uani 1 1 d . . . Cl1 Cl 0.7551(3) 0.08362(14) 0.25066(12) 0.0295(6) Uani 1 1 d . . . Cl2 Cl 0.9141(3) 0.57269(14) 0.41772(12) 0.0280(6) Uani 1 1 d . . . Cl3 Cl 0.4177(3) 0.75582(14) 0.41608(12) 0.0283(6) Uani 1 1 d . . . Cl4 Cl 0.5691(3) 0.24341(14) 0.08296(12) 0.0275(6) Uani 1 1 d . . . Cl5 Cl 0.0970(3) 0.41656(13) 0.08505(12) 0.0274(6) Uani 1 1 d . . . Cl6 Cl 0.2419(2) 0.90547(13) 0.25108(11) 0.0240(6) Uani 1 1 d . . . N1 N 0.8014(9) 0.2325(5) 0.3565(4) 0.025(2) Uani 1 1 d . . . H1 H 0.8157 0.2604 0.3757 0.031 Uiso 1 1 calc R . . N2 N 0.7376(9) 0.2204(4) 0.2670(4) 0.026(2) Uani 1 1 d . . . N3 N 0.6784(10) 0.3107(5) 0.3019(5) 0.035(2) Uani 1 1 d . . . N4 N 0.8685(10) 0.4244(5) 0.3121(4) 0.030(2) Uani 1 1 d . . . H4A H 0.8548 0.3969 0.2924 0.036 Uiso 1 1 calc R . . N5 N 0.9259(9) 0.4353(4) 0.4028(4) 0.030(2) Uani 1 1 d . . . N6 N 0.9858(10) 0.3440(5) 0.3693(5) 0.035(2) Uani 1 1 d . . . N7 N 0.4665(9) 0.9048(4) 0.5216(4) 0.023(2) Uani 1 1 d . . . H7 H 0.4818 0.9323 0.5411 0.027 Uiso 1 1 calc R . . N8 N 0.4017(9) 0.8931(4) 0.4312(4) 0.028(2) Uani 1 1 d . . . N9 N 0.3445(10) 0.9837(5) 0.4659(4) 0.033(2) Uani 1 1 d . . . N10 N 0.5283(9) 0.0989(4) -0.0266(4) 0.024(2) Uani 1 1 d . . . H10 H 0.5155 0.0716 -0.0467 0.029 Uiso 1 1 calc R . . N11 N 0.5790(9) 0.1082(4) 0.0644(4) 0.024(2) Uani 1 1 d . . . N12 N 0.6406(10) 0.0186(5) 0.0306(5) 0.034(2) Uani 1 1 d . . . N13 N 0.1382(9) 0.5636(5) 0.1934(4) 0.025(2) Uani 1 1 d . . . H13 H 0.1502 0.5911 0.2134 0.030 Uiso 1 1 calc R . . N14 N 0.0825(9) 0.5523(4) 0.1023(4) 0.025(2) Uani 1 1 d . . . N15 N 0.0198(10) 0.6428(5) 0.1373(5) 0.035(2) Uani 1 1 d . . . N16 N 0.1991(10) 0.7593(5) 0.1435(4) 0.030(2) Uani 1 1 d . . . H16 H 0.1867 0.7319 0.1235 0.036 Uiso 1 1 calc R . . N17 N 0.2512(9) 0.7697(4) 0.2346(4) 0.027(2) Uani 1 1 d . . . N18 N 0.3120(10) 0.6791(5) 0.2013(5) 0.033(2) Uani 1 1 d . . . C1 C 0.8478(12) 0.1706(6) 0.3795(5) 0.030(3) Uani 1 1 d . . . C2 C 0.8586(11) 0.1534(6) 0.4381(5) 0.032(3) Uani 1 1 d . . . C3 C 0.9044(12) 0.0926(6) 0.4624(6) 0.034(3) Uani 1 1 d . . . H3 H 0.9106 0.0791 0.5023 0.040 Uiso 1 1 calc R . . C4 C 0.9402(11) 0.0529(6) 0.4288(5) 0.032(3) Uani 1 1 d . . . H4 H 0.9747 0.0127 0.4450 0.038 Uiso 1 1 calc R . . C5 C 0.9255(11) 0.0722(5) 0.3712(5) 0.030(3) Uani 1 1 d . . . H5 H 0.9440 0.0430 0.3488 0.036 Uiso 1 1 calc R . . C6 C 0.8847(12) 0.1325(5) 0.3437(5) 0.029(3) Uani 1 1 d . . . C7 C 0.8152(13) 0.1965(6) 0.4758(5) 0.038(3) Uani 1 1 d . . . H7A H 0.7292 0.2065 0.4702 0.045 Uiso 1 1 calc R . . H7B H 0.8583 0.2349 0.4659 0.045 Uiso 1 1 calc R . . H7C H 0.8299 0.1758 0.5155 0.045 Uiso 1 1 calc R . . C8 C 0.7367(10) 0.2535(5) 0.3076(4) 0.023(2) Uani 1 1 d . . . C9 C 0.6085(12) 0.3282(7) 0.2586(5) 0.040(3) Uani 1 1 d . . . H9 H 0.5664 0.3675 0.2534 0.048 Uiso 1 1 calc R . . C10 C 0.5911(11) 0.2925(6) 0.2188(5) 0.034(3) Uani 1 1 d . . . H10A H 0.5334 0.3046 0.1896 0.041 Uiso 1 1 calc R . . C11 C 0.6632(12) 0.2389(7) 0.2247(5) 0.036(3) Uani 1 1 d . . . H11 H 0.6590 0.2146 0.1974 0.043 Uiso 1 1 calc R . . C12 C 1.0780(11) 0.1781(7) 0.2555(5) 0.041(3) Uani 1 1 d . . . C13 C 1.0544(10) 0.1317(6) 0.2241(6) 0.038(3) Uani 1 1 d . . . C14 C 0.9812(12) 0.1637(6) 0.1736(5) 0.039(3) Uani 1 1 d . . . C15 C 0.9605(11) 0.2235(6) 0.1769(6) 0.039(3) Uani 1 1 d . . . C16 C 1.0131(11) 0.2341(6) 0.2252(6) 0.035(3) Uani 1 1 d . . . C17 C 1.1513(14) 0.1700(10) 0.3058(6) 0.102(8) Uani 1 1 d . . . H17A H 1.2337 0.1578 0.2971 0.123 Uiso 1 1 calc R . . H17B H 1.1192 0.1376 0.3362 0.123 Uiso 1 1 calc R . . H17C H 1.1502 0.2093 0.3180 0.123 Uiso 1 1 calc R . . C18 C 1.1005(15) 0.0640(6) 0.2356(8) 0.094(7) Uani 1 1 d . . . H18A H 1.0728 0.0420 0.2731 0.113 Uiso 1 1 calc R . . H18B H 1.1881 0.0619 0.2344 0.113 Uiso 1 1 calc R . . H18C H 1.0701 0.0446 0.2068 0.113 Uiso 1 1 calc R . . C19 C 0.9441(15) 0.1298(7) 0.1303(6) 0.071(5) Uani 1 1 d . . . H19A H 0.9756 0.1501 0.0930 0.085 Uiso 1 1 calc R . . H19B H 0.8566 0.1306 0.1289 0.085 Uiso 1 1 calc R . . H19C H 0.9761 0.0866 0.1406 0.085 Uiso 1 1 calc R . . C20 C 0.8958(15) 0.2737(7) 0.1324(6) 0.066(4) Uani 1 1 d . . . C21 C 1.0131(16) 0.2954(7) 0.2410(7) 0.073(5) Uani 1 1 d . . . H21A H 0.9305 0.3106 0.2457 0.087 Uiso 1 1 calc R . . H21B H 1.0527 0.3254 0.2111 0.087 Uiso 1 1 calc R . . H21C H 1.0562 0.2904 0.2766 0.087 Uiso 1 1 calc R . . C22 C 0.8261(12) 0.4840(6) 0.2891(5) 0.031(3) Uani 1 1 d . . . C23 C 0.8216(12) 0.5024(7) 0.2289(5) 0.037(3) Uani 1 1 d . . . C24 C 0.7784(13) 0.5626(7) 0.2042(6) 0.042(4) Uani 1 1 d . . . H24 H 0.7734 0.5755 0.1642 0.051 Uiso 1 1 calc R . . C25 C 0.7424(14) 0.6044(7) 0.2372(6) 0.047(4) Uani 1 1 d . . . H25 H 0.7108 0.6449 0.2199 0.056 Uiso 1 1 calc R . . C26 C 0.7531(11) 0.5863(5) 0.2942(6) 0.032(3) Uani 1 1 d . . . H26 H 0.7351 0.6164 0.3158 0.038 Uiso 1 1 calc R . . C27 C 0.7893(10) 0.5257(5) 0.3232(4) 0.022(2) Uani 1 1 d . . . C28 C 0.8610(14) 0.4573(7) 0.1936(5) 0.046(4) Uani 1 1 d . . . H28A H 0.9269 0.4742 0.1686 0.056 Uiso 1 1 calc R . . H28B H 0.7938 0.4508 0.1709 0.056 Uiso 1 1 calc R . . H28C H 0.8881 0.4176 0.2184 0.056 Uiso 1 1 calc R . . C29 C 0.9295(10) 0.4016(6) 0.3617(5) 0.025(2) Uani 1 1 d . . . C30 C 0.9970(12) 0.4163(6) 0.4466(5) 0.033(3) Uani 1 1 d . . . H30 H 1.0000 0.4407 0.4739 0.040 Uiso 1 1 calc R . . C31 C 1.0684(12) 0.3610(6) 0.4540(5) 0.037(3) Uani 1 1 d . . . H31 H 1.1237 0.3480 0.4841 0.044 Uiso 1 1 calc R . . C32 C 1.0520(13) 0.3259(7) 0.4130(6) 0.043(3) Uani 1 1 d . . . H32 H 1.0930 0.2862 0.4184 0.052 Uiso 1 1 calc R . . C33 C 0.6591(13) 0.4227(6) 0.4461(6) 0.040(3) Uani 1 1 d . . . C34 C 0.7014(14) 0.4446(8) 0.4920(6) 0.048(4) Uani 1 1 d . . . C35 C 0.6617(18) 0.5065(9) 0.4808(9) 0.083(7) Uani 1 1 d . . . C36 C 0.5993(14) 0.5238(9) 0.4279(10) 0.085(8) Uani 1 1 d . . . C37 C 0.5942(14) 0.4702(10) 0.4079(7) 0.067(6) Uani 1 1 d . . . C38 C 0.6796(18) 0.3553(8) 0.4422(8) 0.092(7) Uani 1 1 d . . . H38A H 0.7229 0.3537 0.4071 0.110 Uiso 1 1 calc R . . H38B H 0.6023 0.3366 0.4424 0.110 Uiso 1 1 calc R . . H38C H 0.7267 0.3323 0.4747 0.110 Uiso 1 1 calc R . . C39 C 0.7625(18) 0.4051(11) 0.5417(7) 0.116(9) Uani 1 1 d . . . H39A H 0.7118 0.4032 0.5753 0.139 Uiso 1 1 calc R . . H39B H 0.8385 0.4227 0.5472 0.139 Uiso 1 1 calc R . . H39C H 0.7780 0.3631 0.5357 0.139 Uiso 1 1 calc R . . C40 C 0.687(2) 0.5498(10) 0.5200(10) 0.173(15) Uani 1 1 d . . . H40A H 0.7738 0.5519 0.5235 0.208 Uiso 1 1 calc R . . H40B H 0.6521 0.5335 0.5575 0.208 Uiso 1 1 calc R . . H40C H 0.6517 0.5916 0.5040 0.208 Uiso 1 1 calc R . . C41 C 0.542(2) 0.5857(8) 0.4048(13) 0.24(2) Uani 1 1 d . . . H41A H 0.4547 0.5826 0.4051 0.284 Uiso 1 1 calc R . . H41B H 0.5696 0.6016 0.3659 0.284 Uiso 1 1 calc R . . H41C H 0.5623 0.6142 0.4281 0.284 Uiso 1 1 calc R . . C42 C 0.5298(17) 0.4666(14) 0.3555(7) 0.170(15) Uani 1 1 d . . . H42A H 0.5634 0.4956 0.3229 0.204 Uiso 1 1 calc R . . H42B H 0.4446 0.4778 0.3595 0.204 Uiso 1 1 calc R . . H42C H 0.5392 0.4242 0.3500 0.204 Uiso 1 1 calc R . . C43 C 0.5105(12) 0.8444(6) 0.5432(5) 0.031(3) Uani 1 1 d . . . C44 C 0.5196(11) 0.8270(6) 0.6034(5) 0.029(3) Uani 1 1 d . . . C45 C 0.5656(13) 0.7664(7) 0.6274(6) 0.039(3) Uani 1 1 d . . . H45 H 0.5721 0.7531 0.6674 0.046 Uiso 1 1 calc R . . C46 C 0.6011(12) 0.7261(6) 0.5946(5) 0.037(3) Uani 1 1 d . . . H46 H 0.6361 0.6862 0.6115 0.044 Uiso 1 1 calc R . . C47 C 0.5855(11) 0.7440(5) 0.5362(5) 0.026(3) Uani 1 1 d . . . H47 H 0.6018 0.7143 0.5141 0.032 Uiso 1 1 calc R . . C48 C 0.5469(10) 0.8040(5) 0.5096(4) 0.021(2) Uani 1 1 d . . . C49 C 0.4779(14) 0.8719(6) 0.6403(5) 0.040(3) Uani 1 1 d . . . H49A H 0.5450 0.8787 0.6630 0.049 Uiso 1 1 calc R . . H49B H 0.4131 0.8538 0.6655 0.049 Uiso 1 1 calc R . . H49C H 0.4490 0.9116 0.6161 0.049 Uiso 1 1 calc R . . C50 C 0.3999(11) 0.9269(6) 0.4718(5) 0.028(3) Uani 1 1 d . . . C51 C 0.3277(13) 0.9123(7) 0.3890(6) 0.037(3) Uani 1 1 d . . . H51 H 0.3228 0.8880 0.3618 0.045 Uiso 1 1 calc R . . C52 C 0.2565(12) 0.9664(6) 0.3826(6) 0.039(3) Uani 1 1 d . . . H52 H 0.1998 0.9790 0.3530 0.046 Uiso 1 1 calc R . . C53 C 0.2734(12) 1.0013(6) 0.4224(6) 0.034(3) Uani 1 1 d . . . H53 H 0.2306 1.0404 0.4176 0.041 Uiso 1 1 calc R . . C54 C 0.6517(14) 0.8317(6) 0.3419(6) 0.048(4) Uani 1 1 d . . . C55 C 0.6244(12) 0.8932(7) 0.3410(6) 0.039(3) Uani 1 1 d . . . C56 C 0.6776(13) 0.9047(6) 0.3906(6) 0.040(3) Uani 1 1 d . . . C57 C 0.7405(10) 0.8500(8) 0.4204(5) 0.045(4) Uani 1 1 d . . . C58 C 0.7198(10) 0.8024(7) 0.3922(6) 0.043(3) Uani 1 1 d . . . C59 C 0.6152(16) 0.7951(8) 0.2996(6) 0.082(6) Uani 1 1 d . . . H59A H 0.6456 0.8146 0.2619 0.098 Uiso 1 1 calc R . . H59B H 0.5277 0.7950 0.2987 0.098 Uiso 1 1 calc R . . H59C H 0.6487 0.7523 0.3111 0.098 Uiso 1 1 calc R . . C60 C 0.5613(15) 0.9409(8) 0.2958(7) 0.076(5) Uani 1 1 d . . . H60A H 0.4807 0.9279 0.2909 0.091 Uiso 1 1 calc R . . H60B H 0.6061 0.9452 0.2601 0.091 Uiso 1 1 calc R . . H60C H 0.5555 0.9810 0.3066 0.091 Uiso 1 1 calc R . . C61 C 0.6707(19) 0.9687(8) 0.4034(7) 0.090(7) Uani 1 1 d . . . H61A H 0.7513 0.9842 0.4020 0.108 Uiso 1 1 calc R . . H61B H 0.6361 0.9660 0.4412 0.108 Uiso 1 1 calc R . . H61C H 0.6204 0.9973 0.3753 0.108 Uiso 1 1 calc R . . C62 C 0.8158(14) 0.8420(9) 0.4732(5) 0.087(6) Uani 1 1 d . . . H62A H 0.7662 0.8524 0.5037 0.105 Uiso 1 1 calc R . . H62B H 0.8824 0.8697 0.4651 0.105 Uiso 1 1 calc R . . H62C H 0.8473 0.7988 0.4848 0.105 Uiso 1 1 calc R . . C63 C 0.7703(16) 0.7354(7) 0.4100(8) 0.101(7) Uani 1 1 d . . . H63A H 0.7413 0.7165 0.4481 0.121 Uiso 1 1 calc R . . H63B H 0.8579 0.7348 0.4099 0.121 Uiso 1 1 calc R . . H63C H 0.7441 0.7118 0.3834 0.121 Uiso 1 1 calc R . . C64 C 0.4871(12) 0.1615(5) -0.0504(5) 0.027(3) Uani 1 1 d . . . C65 C 0.4859(10) 0.1788(6) -0.1095(5) 0.025(3) Uani 1 1 d . . . C66 C 0.4457(12) 0.2395(6) -0.1341(6) 0.032(3) Uani 1 1 d . . . H66 H 0.4449 0.2533 -0.1741 0.039 Uiso 1 1 calc R . . C67 C 0.4065(11) 0.2805(5) -0.1009(5) 0.031(3) Uani 1 1 d . . . H67 H 0.3774 0.3216 -0.1180 0.038 Uiso 1 1 calc R . . C68 C 0.4107(11) 0.2605(5) -0.0439(5) 0.027(3) Uani 1 1 d . . . H68 H 0.3888 0.2898 -0.0220 0.033 Uiso 1 1 calc R . . C69 C 0.4450(11) 0.1999(5) -0.0150(5) 0.023(3) Uani 1 1 d . . . C70 C 0.5301(12) 0.1356(6) -0.1453(5) 0.033(3) Uani 1 1 d . . . H70A H 0.4839 0.0982 -0.1365 0.040 Uiso 1 1 calc R . . H70B H 0.6148 0.1239 -0.1375 0.040 Uiso 1 1 calc R . . H70C H 0.5205 0.1564 -0.1853 0.040 Uiso 1 1 calc R . . C71 C 0.5854(10) 0.0764(5) 0.0238(4) 0.022(2) Uani 1 1 d . . . C72 C 0.6461(12) 0.0866(6) 0.1100(5) 0.031(3) Uani 1 1 d . . . H72 H 0.6471 0.1102 0.1380 0.038 Uiso 1 1 calc R . . C73 C 0.7141(11) 0.0317(6) 0.1184(6) 0.035(3) Uani 1 1 d . . . H73 H 0.7649 0.0174 0.1501 0.042 Uiso 1 1 calc R . . C74 C 0.7024(12) -0.0016(7) 0.0765(5) 0.035(3) Uani 1 1 d . . . H74 H 0.7424 -0.0415 0.0820 0.042 Uiso 1 1 calc R . . C75 C 0.2547(10) 0.1328(6) 0.0693(5) 0.032(3) Uani 1 1 d . . . C76 C 0.2447(10) 0.1926(6) 0.0826(6) 0.043(3) Uani 1 1 d . . . C77 C 0.2991(12) 0.1884(7) 0.1331(6) 0.043(3) Uani 1 1 d . . . C78 C 0.3507(12) 0.1272(6) 0.1557(5) 0.032(3) Uani 1 1 d . . . C79 C 0.3225(11) 0.0923(5) 0.1150(5) 0.028(3) Uani 1 1 d . . . C80 C 0.2012(11) 0.1137(7) 0.0195(5) 0.055(4) Uani 1 1 d . . . H80A H 0.2312 0.1396 -0.0158 0.066 Uiso 1 1 calc R . . H80B H 0.1138 0.1194 0.0210 0.066 Uiso 1 1 calc R . . H80C H 0.2238 0.0699 0.0213 0.066 Uiso 1 1 calc R . . C81 C 0.1709(14) 0.2476(6) 0.0506(7) 0.080(6) Uani 1 1 d . . . H81A H 0.2199 0.2840 0.0411 0.096 Uiso 1 1 calc R . . H81B H 0.1025 0.2561 0.0739 0.096 Uiso 1 1 calc R . . H81C H 0.1421 0.2386 0.0157 0.096 Uiso 1 1 calc R . . C82 C 0.3088(17) 0.2418(8) 0.1640(8) 0.095(7) Uani 1 1 d . . . H82A H 0.2283 0.2577 0.1720 0.114 Uiso 1 1 calc R . . H82B H 0.3522 0.2755 0.1399 0.114 Uiso 1 1 calc R . . H82C H 0.3518 0.2261 0.1996 0.114 Uiso 1 1 calc R . . C83 C 0.4116(13) 0.1011(8) 0.2104(5) 0.063(4) Uani 1 1 d . . . H83A H 0.3564 0.1040 0.2416 0.076 Uiso 1 1 calc R . . H83B H 0.4820 0.1246 0.2128 0.076 Uiso 1 1 calc R . . H83C H 0.4364 0.0574 0.2128 0.076 Uiso 1 1 calc R . . C84 C 0.3560(13) 0.0249(6) 0.1185(6) 0.055(4) Uani 1 1 d . . . H84A H 0.3205 -0.0006 0.1527 0.066 Uiso 1 1 calc R . . H84B H 0.4433 0.0183 0.1200 0.066 Uiso 1 1 calc R . . H84C H 0.3262 0.0130 0.0851 0.066 Uiso 1 1 calc R . . C85 C 0.1840(11) 0.5021(5) 0.2158(5) 0.026(3) Uani 1 1 d . . . C86 C 0.1883(10) 0.4849(6) 0.2752(5) 0.023(2) Uani 1 1 d . . . C87 C 0.2316(12) 0.4235(6) 0.2997(6) 0.033(3) Uani 1 1 d . . . H87 H 0.2339 0.4090 0.3397 0.039 Uiso 1 1 calc R . . C88 C 0.2709(12) 0.3844(5) 0.2652(5) 0.031(3) Uani 1 1 d . . . H88 H 0.3049 0.3441 0.2816 0.037 Uiso 1 1 calc R . . C89 C 0.2612(11) 0.4030(5) 0.2084(5) 0.027(3) Uani 1 1 d . . . H89 H 0.2814 0.3738 0.1862 0.032 Uiso 1 1 calc R . . C90 C 0.2227(11) 0.4633(5) 0.1810(4) 0.023(2) Uani 1 1 d . . . C91 C 0.1433(12) 0.5275(6) 0.3126(5) 0.037(3) Uani 1 1 d . . . H91A H 0.0579 0.5381 0.3059 0.044 Uiso 1 1 calc R . . H91B H 0.1875 0.5656 0.3037 0.044 Uiso 1 1 calc R . . H91C H 0.1554 0.5063 0.3524 0.044 Uiso 1 1 calc R . . C92 C 0.0761(10) 0.5850(5) 0.1432(4) 0.023(2) Uani 1 1 d . . . C93 C 0.0115(14) 0.5720(7) 0.0587(6) 0.041(3) Uani 1 1 d . . . H93 H 0.0081 0.5478 0.0313 0.049 Uiso 1 1 calc R . . C94 C -0.0584(13) 0.6269(6) 0.0512(6) 0.045(4) Uani 1 1 d . . . H94 H -0.1107 0.6405 0.0200 0.055 Uiso 1 1 calc R . . C95 C -0.0475(13) 0.6613(6) 0.0926(5) 0.038(3) Uani 1 1 d . . . H95 H -0.0915 0.7001 0.0878 0.045 Uiso 1 1 calc R . . C96 C 0.4097(12) 0.5218(10) 0.0927(6) 0.061(5) Uani 1 1 d . . . C97 C 0.4044(19) 0.4676(9) 0.0705(12) 0.126(13) Uani 1 1 d . . . C98 C 0.348(3) 0.4853(11) 0.0235(12) 0.123(13) Uani 1 1 d . . . C99 C 0.3075(15) 0.5443(10) 0.0106(6) 0.066(6) Uani 1 1 d . . . C100 C 0.3463(13) 0.5674(6) 0.0561(7) 0.044(4) Uani 1 1 d . . . C101 C 0.4771(19) 0.5297(16) 0.1448(7) 0.22(2) Uani 1 1 d . . . H10E H 0.4208 0.5449 0.1706 0.270 Uiso 1 1 calc R . . H10F H 0.5389 0.5598 0.1327 0.270 Uiso 1 1 calc R . . H10G H 0.5145 0.4896 0.1643 0.270 Uiso 1 1 calc R . . C102 C 0.471(3) 0.4042(10) 0.0932(17) 0.36(4) Uani 1 1 d . . . H10B H 0.5343 0.3976 0.0663 0.437 Uiso 1 1 calc R . . H10C H 0.4149 0.3710 0.0980 0.437 Uiso 1 1 calc R . . H10D H 0.5072 0.4036 0.1298 0.437 Uiso 1 1 calc R . . C103 C 0.318(3) 0.4431(15) -0.0178(13) 0.32(3) Uani 1 1 d . . . H10N H 0.3527 0.4599 -0.0552 0.388 Uiso 1 1 calc R . . H10O H 0.2312 0.4423 -0.0209 0.388 Uiso 1 1 calc R . . H10P H 0.3517 0.4007 -0.0029 0.388 Uiso 1 1 calc R . . C104 C 0.242(2) 0.5823(16) -0.0385(10) 0.24(2) Uani 1 1 d . . . H10H H 0.1651 0.5646 -0.0415 0.291 Uiso 1 1 calc R . . H10I H 0.2894 0.5827 -0.0730 0.291 Uiso 1 1 calc R . . H10J H 0.2289 0.6249 -0.0337 0.291 Uiso 1 1 calc R . . C105 C 0.326(2) 0.6333(9) 0.0604(11) 0.174(15) Uani 1 1 d . . . H10K H 0.4035 0.6521 0.0598 0.209 Uiso 1 1 calc R . . H10L H 0.2841 0.6345 0.0959 0.209 Uiso 1 1 calc R . . H10M H 0.2780 0.6564 0.0284 0.209 Uiso 1 1 calc R . . C106 C 0.1587(11) 0.8202(6) 0.1196(5) 0.027(3) Uani 1 1 d . . . C107 C 0.1568(11) 0.8390(7) 0.0596(5) 0.032(3) Uani 1 1 d . . . C108 C 0.1190(13) 0.8997(7) 0.0347(6) 0.041(4) Uani 1 1 d . . . H108 H 0.1186 0.9130 -0.0054 0.049 Uiso 1 1 calc R . . C109 C 0.0813(13) 0.9419(6) 0.0673(5) 0.039(3) Uani 1 1 d . . . H109 H 0.0527 0.9830 0.0499 0.047 Uiso 1 1 calc R . . C110 C 0.0871(11) 0.9222(5) 0.1250(5) 0.026(3) Uani 1 1 d . . . H110 H 0.0677 0.9517 0.1470 0.031 Uiso 1 1 calc R . . C111 C 0.1196(10) 0.8616(5) 0.1532(4) 0.021(2) Uani 1 1 d . . . C112 C 0.2014(13) 0.7943(7) 0.0242(5) 0.042(3) Uani 1 1 d . . . H11A H 0.2714 0.8107 0.0021 0.050 Uiso 1 1 calc R . . H11B H 0.1380 0.7895 -0.0014 0.050 Uiso 1 1 calc R . . H11C H 0.2235 0.7538 0.0491 0.050 Uiso 1 1 calc R . . C113 C 0.2554(11) 0.7369(6) 0.1938(5) 0.030(3) Uani 1 1 d . . . C114 C 0.3177(12) 0.7492(6) 0.2797(5) 0.031(3) Uani 1 1 d . . . H114 H 0.3191 0.7732 0.3073 0.037 Uiso 1 1 calc R . . C115 C 0.3870(12) 0.6928(6) 0.2883(6) 0.037(3) Uani 1 1 d . . . H115 H 0.4385 0.6785 0.3198 0.044 Uiso 1 1 calc R . . C116 C 0.3733(12) 0.6598(7) 0.2466(6) 0.038(3) Uani 1 1 d . . . H116 H 0.4125 0.6197 0.2523 0.045 Uiso 1 1 calc R . . C117 C -0.0259(11) 0.8491(6) 0.3041(6) 0.042(3) Uani 1 1 d . . . C118 C 0.0211(12) 0.7893(8) 0.3247(6) 0.043(4) Uani 1 1 d . . . C119 C -0.0088(12) 0.7557(6) 0.2822(6) 0.033(3) Uani 1 1 d . . . C120 C -0.0739(10) 0.7980(6) 0.2383(5) 0.034(3) Uani 1 1 d . . . C121 C -0.0803(11) 0.8557(6) 0.2531(6) 0.043(3) Uani 1 1 d . . . C122 C -0.0097(17) 0.8999(8) 0.3373(7) 0.082(6) Uani 1 1 d . . . H12A H -0.0883 0.9176 0.3456 0.098 Uiso 1 1 calc R . . H12B H 0.0374 0.9329 0.3144 0.098 Uiso 1 1 calc R . . H12C H 0.0321 0.8815 0.3727 0.098 Uiso 1 1 calc R . . C123 C 0.0840(15) 0.7595(8) 0.3794(6) 0.078(5) Uani 1 1 d . . . H12D H 0.0312 0.7626 0.4113 0.094 Uiso 1 1 calc R . . H12E H 0.1573 0.7809 0.3818 0.094 Uiso 1 1 calc R . . H12F H 0.1043 0.7156 0.3805 0.094 Uiso 1 1 calc R . . C124 C 0.0241(14) 0.6872(6) 0.2869(6) 0.057(4) Uani 1 1 d . . . H12G H 0.0739 0.6824 0.2543 0.068 Uiso 1 1 calc R . . H12H H -0.0490 0.6646 0.2874 0.068 Uiso 1 1 calc R . . H12I H 0.0686 0.6702 0.3218 0.068 Uiso 1 1 calc R . . C125 C -0.1308(13) 0.7828(8) 0.1871(5) 0.064(4) Uani 1 1 d . . . H12J H -0.1906 0.7517 0.1999 0.076 Uiso 1 1 calc R . . H12K H -0.0689 0.7662 0.1648 0.076 Uiso 1 1 calc R . . H12L H -0.1696 0.8207 0.1638 0.076 Uiso 1 1 calc R . . C126 C -0.1498(15) 0.9148(7) 0.2234(7) 0.096(7) Uani 1 1 d . . . H12M H -0.0967 0.9496 0.2157 0.115 Uiso 1 1 calc R . . H12N H -0.2163 0.9237 0.2477 0.115 Uiso 1 1 calc R . . H12O H -0.1812 0.9093 0.1877 0.115 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ir1 0.0236(3) 0.0266(3) 0.0184(3) -0.0092(2) 0.0028(2) -0.0061(2) Ir2 0.0234(3) 0.0261(3) 0.0184(3) -0.0059(2) 0.0026(2) -0.0056(2) Ir3 0.0230(3) 0.0285(3) 0.0160(3) -0.0068(2) 0.0016(2) -0.0065(2) Ir4 0.0228(3) 0.0221(3) 0.0182(3) -0.0102(2) 0.0032(2) -0.0040(2) Ir5 0.0262(3) 0.0216(3) 0.0177(3) -0.0086(2) 0.0048(2) -0.0044(2) Ir6 0.0229(3) 0.0233(3) 0.0164(3) -0.0098(2) 0.0025(2) -0.0058(2) Cl1 0.0325(14) 0.0377(15) 0.0231(14) -0.0140(11) 0.0040(11) -0.0146(12) Cl2 0.0303(14) 0.0366(15) 0.0213(13) -0.0126(11) 0.0031(11) -0.0132(11) Cl3 0.0308(14) 0.0379(15) 0.0210(13) -0.0138(11) 0.0031(11) -0.0143(12) Cl4 0.0295(14) 0.0337(14) 0.0263(14) -0.0190(11) 0.0055(11) -0.0128(11) Cl5 0.0303(14) 0.0329(14) 0.0242(13) -0.0154(11) 0.0025(11) -0.0113(11) Cl6 0.0249(13) 0.0304(13) 0.0220(13) -0.0149(10) 0.0029(10) -0.0103(10) N1 0.028(5) 0.030(5) 0.023(5) -0.014(4) -0.004(4) -0.004(4) N2 0.028(5) 0.018(4) 0.028(5) 0.000(4) -0.008(4) 0.019(4) N3 0.032(5) 0.035(6) 0.042(6) -0.020(5) -0.006(5) 0.006(4) N4 0.033(5) 0.038(6) 0.024(5) -0.014(4) -0.006(4) -0.011(4) N5 0.035(5) 0.020(5) 0.030(5) 0.002(4) -0.013(4) 0.014(4) N6 0.045(6) 0.027(5) 0.035(6) -0.012(4) -0.007(5) 0.005(4) N7 0.024(5) 0.031(5) 0.018(5) -0.013(4) -0.001(4) -0.011(4) N8 0.036(5) 0.018(4) 0.029(5) -0.004(4) -0.014(4) 0.011(4) N9 0.035(5) 0.031(5) 0.033(6) -0.010(4) 0.000(5) 0.008(4) N10 0.033(5) 0.022(5) 0.023(5) -0.015(4) 0.004(4) -0.004(4) N11 0.028(5) 0.009(4) 0.031(5) 0.001(3) -0.014(4) 0.024(4) N12 0.039(6) 0.025(5) 0.044(6) -0.022(4) 0.000(5) -0.006(4) N13 0.030(5) 0.026(5) 0.022(5) -0.012(4) -0.003(4) -0.005(4) N14 0.038(5) 0.001(3) 0.030(5) 0.007(3) -0.013(4) 0.020(3) N15 0.041(6) 0.027(5) 0.039(6) -0.012(4) -0.004(5) -0.004(5) N16 0.041(6) 0.035(6) 0.024(5) -0.022(4) 0.006(4) -0.018(5) N17 0.033(5) 0.010(4) 0.034(5) -0.001(4) -0.016(4) 0.023(4) N18 0.040(6) 0.026(5) 0.039(6) -0.017(4) 0.001(5) -0.002(4) C1 0.040(7) 0.032(6) 0.020(6) -0.008(5) 0.004(5) -0.011(5) C2 0.029(6) 0.041(7) 0.026(6) -0.007(5) -0.003(5) -0.016(5) C3 0.029(6) 0.044(7) 0.026(6) -0.002(5) -0.004(5) -0.008(5) C4 0.028(6) 0.029(6) 0.034(6) 0.003(5) -0.009(5) 0.000(5) C5 0.026(6) 0.021(6) 0.042(7) 0.000(5) -0.012(5) -0.007(5) C6 0.048(8) 0.024(6) 0.012(5) 0.006(4) -0.003(5) -0.017(5) C7 0.045(7) 0.050(8) 0.025(6) -0.022(6) -0.007(5) -0.002(6) C8 0.021(5) 0.035(6) 0.015(5) -0.006(4) -0.007(4) -0.004(4) C9 0.041(7) 0.061(8) 0.022(6) -0.018(6) 0.000(5) -0.004(6) C10 0.027(6) 0.039(6) 0.041(7) -0.021(5) -0.012(5) 0.007(5) C11 0.034(7) 0.052(8) 0.020(6) -0.006(5) -0.004(5) 0.004(6) C12 0.019(6) 0.075(10) 0.029(6) -0.013(7) 0.005(5) -0.012(6) C13 0.016(5) 0.046(7) 0.053(8) -0.010(6) 0.028(6) -0.024(5) C14 0.041(7) 0.042(7) 0.037(7) -0.014(6) 0.013(6) -0.011(6) C15 0.019(6) 0.045(8) 0.045(8) 0.006(6) 0.002(6) -0.010(6) C16 0.025(6) 0.032(6) 0.048(8) -0.011(6) 0.017(6) -0.001(5) C17 0.039(8) 0.20(2) 0.048(9) 0.026(11) -0.020(7) -0.034(11) C18 0.063(10) 0.038(8) 0.158(17) 0.013(9) 0.039(11) 0.029(7) C19 0.090(12) 0.098(12) 0.051(8) -0.062(8) 0.042(8) -0.051(10) C20 0.059(10) 0.079(10) 0.047(9) 0.017(8) -0.007(7) -0.008(8) C21 0.073(11) 0.062(10) 0.099(13) -0.046(9) 0.038(10) -0.028(9) C22 0.039(7) 0.036(7) 0.019(6) -0.004(5) -0.006(5) -0.006(5) C23 0.036(7) 0.053(8) 0.023(6) -0.009(6) -0.009(5) -0.022(6) C24 0.048(8) 0.043(8) 0.034(7) -0.001(6) -0.017(6) -0.025(6) C25 0.055(9) 0.045(8) 0.035(7) 0.005(6) -0.022(7) -0.008(7) C26 0.033(6) 0.012(5) 0.046(8) 0.004(5) -0.014(6) 0.001(4) C27 0.025(5) 0.024(5) 0.015(5) 0.004(4) -0.005(4) -0.010(4) C28 0.058(9) 0.066(9) 0.025(6) -0.028(6) -0.009(6) -0.012(7) C29 0.023(5) 0.038(6) 0.017(5) -0.011(5) 0.000(4) -0.001(5) C30 0.033(6) 0.044(7) 0.019(6) -0.002(5) -0.004(5) 0.007(5) C31 0.038(7) 0.042(7) 0.035(7) -0.016(5) -0.011(5) 0.006(5) C32 0.042(7) 0.057(8) 0.037(7) -0.024(7) 0.005(6) -0.011(6) C33 0.051(8) 0.030(7) 0.041(8) -0.013(6) 0.024(7) -0.020(6) C34 0.035(7) 0.076(11) 0.027(7) 0.004(7) 0.003(6) -0.025(7) C35 0.078(13) 0.068(12) 0.121(17) -0.061(12) 0.088(13) -0.046(10) C36 0.024(7) 0.075(12) 0.124(18) 0.035(12) 0.053(10) 0.007(8) C37 0.027(7) 0.099(14) 0.059(10) 0.021(10) 0.004(7) -0.030(8) C38 0.120(17) 0.074(12) 0.106(14) -0.065(11) 0.068(13) -0.062(12) C39 0.070(13) 0.21(2) 0.040(9) 0.037(12) 0.001(9) -0.049(15) C40 0.19(2) 0.17(2) 0.23(3) -0.19(2) 0.19(2) -0.15(2) C41 0.14(2) 0.085(15) 0.36(4) 0.15(2) 0.17(2) 0.104(15) C42 0.054(12) 0.38(4) 0.036(10) 0.040(16) -0.020(9) -0.088(19) C43 0.034(6) 0.047(8) 0.015(6) -0.009(5) -0.003(5) 0.000(6) C44 0.025(6) 0.047(7) 0.017(6) -0.011(5) -0.001(5) -0.013(5) C45 0.037(7) 0.053(8) 0.025(7) -0.004(6) -0.012(5) -0.011(6) C46 0.038(7) 0.046(8) 0.021(6) 0.003(5) -0.009(5) 0.000(6) C47 0.033(6) 0.009(5) 0.031(6) 0.006(4) -0.006(5) 0.004(4) C48 0.021(5) 0.026(6) 0.013(5) 0.006(4) -0.003(4) -0.011(5) C49 0.063(9) 0.046(7) 0.019(6) -0.021(5) 0.005(6) -0.004(6) C50 0.026(6) 0.050(7) 0.012(5) -0.010(5) 0.003(4) -0.017(5) C51 0.041(7) 0.043(7) 0.026(6) -0.003(5) 0.001(6) -0.009(6) C52 0.033(6) 0.044(7) 0.044(7) -0.019(6) -0.011(6) -0.005(6) C53 0.039(7) 0.038(6) 0.030(6) -0.016(5) 0.007(5) -0.006(5) C54 0.068(10) 0.039(7) 0.042(7) -0.017(6) 0.034(7) -0.026(7) C55 0.024(6) 0.058(8) 0.029(7) 0.005(6) 0.002(5) -0.007(6) C56 0.047(8) 0.032(7) 0.044(8) -0.014(6) 0.030(7) -0.019(6) C57 0.012(5) 0.088(11) 0.029(7) 0.000(7) 0.003(5) -0.018(7) C58 0.016(5) 0.050(8) 0.061(9) -0.007(7) 0.021(6) -0.017(5) C59 0.104(13) 0.099(12) 0.076(10) -0.079(10) 0.062(10) -0.071(11) C60 0.053(9) 0.088(11) 0.062(10) 0.032(9) -0.005(8) -0.008(9) C61 0.120(17) 0.075(12) 0.094(13) -0.057(10) 0.055(12) -0.030(11) C62 0.051(9) 0.160(17) 0.029(7) 0.027(9) -0.018(7) -0.022(11) C63 0.076(11) 0.047(9) 0.139(16) 0.043(10) 0.049(11) 0.045(8) C64 0.035(7) 0.023(6) 0.024(6) -0.003(5) 0.001(5) -0.005(5) C65 0.026(6) 0.035(6) 0.020(6) -0.013(5) 0.002(5) -0.013(5) C66 0.035(7) 0.031(6) 0.033(7) -0.008(5) -0.004(5) -0.009(5) C67 0.036(6) 0.019(5) 0.035(7) 0.001(5) -0.007(5) 0.010(5) C68 0.040(7) 0.010(5) 0.034(7) -0.004(5) 0.004(5) -0.015(5) C69 0.031(6) 0.021(6) 0.018(5) -0.001(4) 0.004(5) -0.016(5) C70 0.037(7) 0.050(7) 0.022(6) -0.026(5) -0.003(5) 0.002(6) C71 0.020(5) 0.038(6) 0.014(5) -0.015(5) 0.004(4) -0.003(5) C72 0.036(7) 0.040(7) 0.021(6) -0.012(5) 0.005(5) -0.005(5) C73 0.031(6) 0.037(6) 0.042(7) -0.020(5) -0.004(5) 0.005(5) C74 0.037(6) 0.056(8) 0.020(6) -0.025(5) -0.008(5) 0.004(6) C75 0.017(5) 0.042(7) 0.037(7) -0.006(5) 0.003(5) -0.013(5) C76 0.018(5) 0.049(7) 0.061(9) -0.014(7) 0.030(6) -0.014(5) C77 0.039(7) 0.052(8) 0.043(8) -0.020(7) 0.024(6) -0.023(6) C78 0.031(6) 0.040(7) 0.023(6) -0.002(5) 0.010(5) -0.010(5) C79 0.034(7) 0.023(6) 0.025(6) -0.002(5) 0.021(5) -0.009(5) C80 0.029(6) 0.101(11) 0.035(7) -0.012(7) -0.002(5) -0.018(7) C81 0.059(9) 0.046(8) 0.103(12) 0.033(8) 0.039(9) 0.033(7) C82 0.115(15) 0.080(11) 0.123(15) -0.087(11) 0.087(13) -0.053(11) C83 0.040(7) 0.111(13) 0.028(7) 0.002(7) -0.003(6) 0.003(8) C84 0.055(9) 0.038(7) 0.078(10) -0.027(7) 0.026(8) -0.018(6) C85 0.031(6) 0.021(5) 0.029(6) -0.013(5) -0.007(5) -0.001(4) C86 0.021(5) 0.032(6) 0.018(5) -0.009(5) -0.001(4) -0.010(5) C87 0.036(7) 0.033(6) 0.027(6) -0.001(5) -0.009(5) -0.007(5) C88 0.039(6) 0.018(5) 0.032(6) 0.000(5) -0.009(5) 0.005(5) C89 0.036(6) 0.010(5) 0.033(6) 0.000(4) -0.003(5) -0.012(4) C90 0.030(6) 0.025(6) 0.012(5) -0.002(4) 0.002(5) -0.010(5) C91 0.045(7) 0.052(8) 0.019(6) -0.021(5) -0.003(5) -0.002(6) C92 0.023(5) 0.036(6) 0.016(5) -0.019(4) -0.002(4) 0.002(4) C93 0.060(9) 0.041(7) 0.022(6) -0.007(5) -0.008(6) -0.001(6) C94 0.055(8) 0.039(7) 0.050(8) -0.026(6) -0.018(7) 0.008(6) C95 0.049(8) 0.047(7) 0.021(6) -0.018(5) -0.004(5) 0.009(6) C96 0.014(6) 0.117(15) 0.035(8) 0.021(9) 0.003(6) -0.018(8) C97 0.074(14) 0.045(10) 0.21(3) 0.054(14) 0.126(18) 0.025(9) C98 0.16(2) 0.084(16) 0.17(2) -0.095(17) 0.14(2) -0.103(17) C99 0.048(9) 0.111(16) 0.027(8) 0.012(9) 0.015(7) -0.040(10) C100 0.045(8) 0.034(7) 0.060(10) -0.025(7) 0.042(8) -0.022(6) C101 0.075(15) 0.54(6) 0.028(9) 0.029(19) -0.008(10) -0.15(3) C102 0.26(4) 0.111(18) 0.54(6) 0.21(3) 0.31(4) 0.18(2) C103 0.40(5) 0.38(4) 0.34(4) -0.35(4) 0.35(4) -0.37(4) C104 0.067(15) 0.46(5) 0.107(19) 0.15(3) -0.035(14) -0.08(2) C105 0.18(3) 0.072(13) 0.30(3) -0.121(18) 0.20(3) -0.067(15) C106 0.023(6) 0.040(7) 0.017(6) -0.004(5) 0.001(5) -0.007(5) C107 0.029(6) 0.058(8) 0.017(6) -0.017(6) -0.003(5) -0.022(6) C108 0.042(7) 0.045(8) 0.033(7) 0.004(6) -0.010(6) -0.025(6) C109 0.050(8) 0.039(7) 0.027(6) 0.000(5) -0.012(6) -0.009(6) C110 0.030(6) 0.015(5) 0.033(6) -0.004(5) 0.002(5) -0.009(4) C111 0.026(6) 0.027(6) 0.013(5) -0.006(4) -0.003(4) -0.016(5) C112 0.050(8) 0.064(9) 0.022(6) -0.031(6) -0.002(6) -0.009(7) C113 0.027(6) 0.051(7) 0.016(5) -0.018(5) 0.006(5) -0.012(5) C114 0.036(7) 0.033(6) 0.024(6) -0.007(5) -0.005(5) -0.002(5) C115 0.035(6) 0.039(7) 0.040(7) -0.014(5) 0.000(5) -0.007(5) C116 0.035(6) 0.049(8) 0.036(7) -0.023(6) 0.001(6) 0.001(6) C117 0.026(6) 0.045(8) 0.060(9) -0.022(7) 0.019(6) -0.011(5) C118 0.028(7) 0.063(10) 0.031(7) 0.001(7) 0.007(6) -0.007(6) C119 0.036(7) 0.021(6) 0.043(7) -0.008(5) 0.025(6) -0.009(5) C120 0.020(5) 0.050(7) 0.030(6) -0.005(5) 0.007(5) -0.015(5) C121 0.020(6) 0.047(8) 0.060(9) -0.008(7) 0.020(6) -0.010(5) C122 0.094(14) 0.074(11) 0.096(13) -0.053(10) 0.059(11) -0.042(10) C123 0.054(10) 0.121(15) 0.042(8) 0.015(9) 0.000(7) -0.006(10) C124 0.053(8) 0.039(7) 0.078(10) -0.015(7) 0.026(8) -0.005(6) C125 0.042(8) 0.128(14) 0.023(6) -0.018(8) -0.001(6) -0.020(8) C126 0.075(11) 0.052(9) 0.122(14) 0.043(9) 0.051(11) 0.047(8) #============================================================================== _computing_data_collection 'CrysAlisPro 1.171.40.43a (Rigaku OD, 2019)' _computing_cell_refinement 'CrysAlisPro 1.171.40.43a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.43a (Rigaku OD, 2019)' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_publication_material 'CrystalStructure 4.2.1 (Rigaku, 2016)' _computing_molecular_graphics 'CrystalStructure 4.2.1' #============================================================================== # 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 C6 2.046(11) . ? Ir1 N2 2.112(9) . ? Ir1 C13 2.142(12) . ? Ir1 C12 2.150(12) . ? Ir1 C16 2.154(13) . ? Ir1 C15 2.260(13) . ? Ir1 C14 2.260(12) . ? Ir1 Cl1 2.412(3) . ? Ir2 C27 2.042(11) . ? Ir2 N5 2.103(10) . ? Ir2 C36 2.123(15) . ? Ir2 C37 2.156(14) . ? Ir2 C33 2.163(13) . ? Ir2 C35 2.198(15) . ? Ir2 C34 2.244(14) . ? Ir2 Cl2 2.405(3) . ? Ir3 C48 2.060(10) . ? Ir3 N8 2.112(10) . ? Ir3 C57 2.145(11) . ? Ir3 C58 2.142(12) . ? Ir3 C56 2.149(13) . ? Ir3 C54 2.248(12) . ? Ir3 C55 2.267(13) . ? Ir3 Cl3 2.404(3) . ? Ir4 C69 2.047(11) . ? Ir4 N11 2.105(8) . ? Ir4 C76 2.144(12) . ? Ir4 C75 2.166(11) . ? Ir4 C77 2.185(13) . ? Ir4 C79 2.190(11) . ? Ir4 C78 2.241(12) . ? Ir4 Cl4 2.403(3) . ? Ir5 C90 2.058(10) . ? Ir5 N14 2.085(9) . ? Ir5 C97 2.096(16) . ? Ir5 C96 2.106(13) . ? Ir5 C100 2.142(12) . ? Ir5 C98 2.179(18) . ? Ir5 C99 2.251(14) . ? Ir5 Cl5 2.412(3) . ? Ir6 C111 2.062(10) . ? Ir6 N17 2.103(9) . ? Ir6 C121 2.129(12) . ? Ir6 C120 2.144(11) . ? Ir6 C119 2.179(12) . ? Ir6 C117 2.197(13) . ? Ir6 C118 2.252(13) . ? Ir6 Cl6 2.405(3) . ? N1 C8 1.377(14) . ? N1 C1 1.427(15) . ? N1 H1 0.8800 . ? N2 C11 1.310(15) . ? N2 C8 1.358(14) . ? N3 C9 1.297(17) . ? N3 C8 1.371(15) . ? N4 C29 1.373(15) . ? N4 C22 1.371(16) . ? N4 H4A 0.8800 . ? N5 C30 1.317(15) . ? N5 C29 1.377(15) . ? N6 C32 1.281(18) . ? N6 C29 1.364(15) . ? N7 C50 1.409(14) . ? N7 C43 1.384(16) . ? N7 H7 0.8800 . ? N8 C51 1.307(16) . ? N8 C50 1.370(15) . ? N9 C53 1.309(17) . ? N9 C50 1.349(16) . ? N10 C71 1.367(14) . ? N10 C64 1.426(15) . ? N10 H10 0.8800 . ? N11 C72 1.330(15) . ? N11 C71 1.340(14) . ? N12 C74 1.298(16) . ? N12 C71 1.366(15) . ? N13 C92 1.388(14) . ? N13 C85 1.414(15) . ? N13 H13 0.8800 . ? N14 C93 1.314(16) . ? N14 C92 1.358(14) . ? N15 C95 1.308(17) . ? N15 C92 1.372(15) . ? N16 C113 1.363(15) . ? N16 C106 1.391(16) . ? N16 H16 0.8800 . ? N17 C114 1.314(15) . ? N17 C113 1.357(14) . ? N18 C116 1.284(17) . ? N18 C113 1.370(16) . ? C1 C6 1.388(17) . ? C1 C2 1.393(16) . ? C2 C3 1.410(18) . ? C2 C7 1.524(17) . ? C3 C4 1.372(19) . ? C3 H3 0.9500 . ? C4 C5 1.377(17) . ? C4 H4 0.9500 . ? C5 C6 1.402(15) . ? C5 H5 0.9500 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C9 C10 1.407(17) . ? C9 H9 0.9500 . ? C10 C11 1.378(17) . ? C10 H10A 0.9500 . ? C11 H11 0.9500 . ? C12 C13 1.454(18) . ? C12 C16 1.451(19) . ? C12 C17 1.458(17) . ? C13 C14 1.500(19) . ? C13 C18 1.520(17) . ? C14 C15 1.352(19) . ? C14 C19 1.505(16) . ? C15 C16 1.40(2) . ? C15 C20 1.520(18) . ? C16 C21 1.495(18) . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 C27 1.417(17) . ? C22 C23 1.425(16) . ? C23 C24 1.392(19) . ? C23 C28 1.503(18) . ? C24 C25 1.40(2) . ? C24 H24 0.9500 . ? C25 C26 1.356(18) . ? C25 H25 0.9500 . ? C26 C27 1.404(14) . ? C26 H26 0.9500 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C30 C31 1.401(18) . ? C30 H30 0.9500 . ? C31 C32 1.419(17) . ? C31 H31 0.9500 . ? C32 H32 0.9500 . ? C33 C37 1.41(2) . ? C33 C34 1.42(2) . ? C33 C38 1.520(19) . ? C34 C35 1.38(2) . ? C34 C39 1.47(2) . ? C35 C36 1.44(3) . ? C35 C40 1.54(2) . ? C36 C37 1.39(3) . ? C36 C41 1.47(2) . ? C37 C42 1.50(2) . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 C48 1.386(17) . ? C43 C44 1.428(16) . ? C44 C45 1.406(18) . ? C44 C49 1.535(17) . ? C45 C46 1.37(2) . ? C45 H45 0.9500 . ? C46 C47 1.395(16) . ? C46 H46 0.9500 . ? C47 C48 1.385(14) . ? C47 H47 0.9500 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C51 C52 1.381(19) . ? C51 H51 0.9500 . ? C52 C53 1.393(17) . ? C52 H52 0.9500 . ? C53 H53 0.9500 . ? C54 C55 1.38(2) . ? C54 C58 1.45(2) . ? C54 C59 1.523(17) . ? C55 C56 1.44(2) . ? C55 C60 1.495(18) . ? C56 C57 1.41(2) . ? C56 C61 1.519(18) . ? C57 C58 1.42(2) . ? C57 C62 1.520(17) . ? C58 C63 1.524(18) . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? C61 H61A 0.9800 . ? C61 H61B 0.9800 . ? C61 H61C 0.9800 . ? C62 H62A 0.9800 . ? C62 H62B 0.9800 . ? C62 H62C 0.9800 . ? C63 H63A 0.9800 . ? C63 H63B 0.9800 . ? C63 H63C 0.9800 . ? C64 C69 1.402(16) . ? C64 C65 1.397(16) . ? C65 C66 1.391(17) . ? C65 C70 1.494(15) . ? C66 C67 1.396(18) . ? C66 H66 0.9500 . ? C67 C68 1.353(17) . ? C67 H67 0.9500 . ? C68 C69 1.399(15) . ? C68 H68 0.9500 . ? C70 H70A 0.9800 . ? C70 H70B 0.9800 . ? C70 H70C 0.9800 . ? C72 C73 1.373(17) . ? C72 H72 0.9500 . ? C73 C74 1.402(16) . ? C73 H73 0.9500 . ? C74 H74 0.9500 . ? C75 C76 1.435(17) . ? C75 C79 1.452(17) . ? C75 C80 1.515(16) . ? C76 C77 1.363(19) . ? C76 C81 1.497(17) . ? C77 C78 1.431(19) . ? C77 C82 1.551(17) . ? C78 C79 1.440(18) . ? C78 C83 1.483(17) . ? C79 C84 1.502(17) . ? C80 H80A 0.9800 . ? C80 H80B 0.9800 . ? C80 H80C 0.9800 . ? C81 H81A 0.9800 . ? C81 H81B 0.9800 . ? C81 H81C 0.9800 . ? C82 H82A 0.9800 . ? C82 H82B 0.9800 . ? C82 H82C 0.9800 . ? C83 H83A 0.9800 . ? C83 H83B 0.9800 . ? C83 H83C 0.9800 . ? C84 H84A 0.9800 . ? C84 H84B 0.9800 . ? C84 H84C 0.9800 . ? C85 C90 1.387(16) . ? C85 C86 1.407(16) . ? C86 C87 1.415(17) . ? C86 C91 1.515(16) . ? C87 C88 1.389(19) . ? C87 H87 0.9500 . ? C88 C89 1.349(16) . ? C88 H88 0.9500 . ? C89 C90 1.394(15) . ? C89 H89 0.9500 . ? C91 H91A 0.9800 . ? C91 H91B 0.9800 . ? C91 H91C 0.9800 . ? C93 C94 1.385(19) . ? C93 H93 0.9500 . ? C94 C95 1.406(17) . ? C94 H94 0.9500 . ? C95 H95 0.9500 . ? C96 C100 1.36(2) . ? C96 C97 1.43(3) . ? C96 C101 1.54(2) . ? C97 C98 1.28(4) . ? C97 C102 1.54(2) . ? C98 C99 1.33(3) . ? C98 C103 1.58(3) . ? C99 C100 1.41(2) . ? C99 C104 1.47(2) . ? C100 C105 1.49(2) . ? C101 H10E 0.9800 . ? C101 H10F 0.9800 . ? C101 H10G 0.9800 . ? C102 H10B 0.9800 . ? C102 H10C 0.9800 . ? C102 H10D 0.9800 . ? C103 H10N 0.9800 . ? C103 H10O 0.9800 . ? C103 H10P 0.9800 . ? C104 H10H 0.9800 . ? C104 H10I 0.9800 . ? C104 H10J 0.9800 . ? C105 H10K 0.9800 . ? C105 H10L 0.9800 . ? C105 H10M 0.9800 . ? C106 C111 1.411(16) . ? C106 C107 1.421(16) . ? C107 C108 1.385(19) . ? C107 C112 1.514(17) . ? C108 C109 1.40(2) . ? C108 H108 0.9500 . ? C109 C110 1.371(17) . ? C109 H109 0.9500 . ? C110 C111 1.389(15) . ? C110 H110 0.9500 . ? C112 H11A 0.9800 . ? C112 H11B 0.9800 . ? C112 H11C 0.9800 . ? C114 C115 1.407(18) . ? C114 H114 0.9500 . ? C115 C116 1.396(17) . ? C115 H115 0.9500 . ? C116 H116 0.9500 . ? C117 C121 1.366(19) . ? C117 C118 1.38(2) . ? C117 C122 1.550(19) . ? C118 C119 1.46(2) . ? C118 C123 1.509(19) . ? C119 C120 1.428(18) . ? C119 C124 1.519(17) . ? C120 C121 1.405(18) . ? C120 C125 1.522(16) . ? C121 C126 1.519(17) . ? C122 H12A 0.9800 . ? C122 H12B 0.9800 . ? C122 H12C 0.9800 . ? C123 H12D 0.9800 . ? C123 H12E 0.9800 . ? C123 H12F 0.9800 . ? C124 H12G 0.9800 . ? C124 H12H 0.9800 . ? C124 H12I 0.9800 . ? C125 H12J 0.9800 . ? C125 H12K 0.9800 . ? C125 H12L 0.9800 . ? C126 H12M 0.9800 . ? C126 H12N 0.9800 . ? C126 H12O 0.9800 . ? 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 C6 Ir1 N2 86.1(5) . . ? C6 Ir1 C13 110.6(5) . . ? N2 Ir1 C13 159.9(5) . . ? C6 Ir1 C12 93.5(5) . . ? N2 Ir1 C12 131.9(5) . . ? C13 Ir1 C12 39.6(5) . . ? C6 Ir1 C16 115.4(5) . . ? N2 Ir1 C16 98.7(4) . . ? C13 Ir1 C16 64.6(5) . . ? C12 Ir1 C16 39.4(5) . . ? C6 Ir1 C15 152.2(5) . . ? N2 Ir1 C15 97.1(4) . . ? C13 Ir1 C15 62.8(5) . . ? C12 Ir1 C15 63.9(5) . . ? C16 Ir1 C15 36.8(5) . . ? C6 Ir1 C14 150.1(5) . . ? N2 Ir1 C14 123.6(4) . . ? C13 Ir1 C14 39.7(5) . . ? C12 Ir1 C14 65.3(5) . . ? C16 Ir1 C14 61.6(5) . . ? C15 Ir1 C14 34.8(5) . . ? C6 Ir1 Cl1 89.1(3) . . ? N2 Ir1 Cl1 87.6(3) . . ? C13 Ir1 Cl1 103.2(3) . . ? C12 Ir1 Cl1 140.4(4) . . ? C16 Ir1 Cl1 155.0(4) . . ? C15 Ir1 Cl1 118.6(4) . . ? C14 Ir1 Cl1 94.7(3) . . ? C27 Ir2 N5 86.5(4) . . ? C27 Ir2 C36 103.7(7) . . ? N5 Ir2 C36 158.4(6) . . ? C27 Ir2 C37 94.2(5) . . ? N5 Ir2 C37 123.7(7) . . ? C36 Ir2 C37 37.8(7) . . ? C27 Ir2 C33 120.0(5) . . ? N5 Ir2 C33 95.2(5) . . ? C36 Ir2 C33 63.1(6) . . ? C37 Ir2 C33 38.0(6) . . ? C27 Ir2 C35 141.1(8) . . ? N5 Ir2 C35 132.2(7) . . ? C36 Ir2 C35 38.8(7) . . ? C37 Ir2 C35 62.8(7) . . ? C33 Ir2 C35 60.9(5) . . ? C27 Ir2 C34 156.8(5) . . ? N5 Ir2 C34 99.3(5) . . ? C36 Ir2 C34 64.1(6) . . ? C37 Ir2 C34 63.9(6) . . ? C33 Ir2 C34 37.4(5) . . ? C35 Ir2 C34 36.3(6) . . ? C27 Ir2 Cl2 88.7(3) . . ? N5 Ir2 Cl2 88.1(3) . . ? C36 Ir2 Cl2 110.9(7) . . ? C37 Ir2 Cl2 148.2(6) . . ? C33 Ir2 Cl2 151.2(4) . . ? C35 Ir2 Cl2 96.0(4) . . ? C34 Ir2 Cl2 113.8(4) . . ? C48 Ir3 N8 86.6(4) . . ? C48 Ir3 C57 93.9(5) . . ? N8 Ir3 C57 131.2(5) . . ? C48 Ir3 C58 109.0(5) . . ? N8 Ir3 C58 160.2(5) . . ? C57 Ir3 C58 38.6(5) . . ? C48 Ir3 C56 115.4(5) . . ? N8 Ir3 C56 98.5(5) . . ? C57 Ir3 C56 38.5(6) . . ? C58 Ir3 C56 64.2(5) . . ? C48 Ir3 C54 147.3(5) . . ? N8 Ir3 C54 125.9(5) . . ? C57 Ir3 C54 63.1(5) . . ? C58 Ir3 C54 38.6(5) . . ? C56 Ir3 C54 61.5(5) . . ? C48 Ir3 C55 153.2(5) . . ? N8 Ir3 C55 97.1(5) . . ? C57 Ir3 C55 63.7(5) . . ? C58 Ir3 C55 63.4(5) . . ? C56 Ir3 C55 37.8(5) . . ? C54 Ir3 C55 35.5(5) . . ? C48 Ir3 Cl3 89.0(3) . . ? N8 Ir3 Cl3 87.9(3) . . ? C57 Ir3 Cl3 140.9(5) . . ? C58 Ir3 Cl3 104.1(4) . . ? C56 Ir3 Cl3 155.0(4) . . ? C54 Ir3 Cl3 95.2(4) . . ? C55 Ir3 Cl3 117.6(4) . . ? C69 Ir4 N11 86.2(4) . . ? C69 Ir4 C76 100.1(5) . . ? N11 Ir4 C76 155.3(5) . . ? C69 Ir4 C75 95.3(5) . . ? N11 Ir4 C75 117.2(4) . . ? C76 Ir4 C75 38.9(5) . . ? C69 Ir4 C77 133.0(5) . . ? N11 Ir4 C77 140.5(5) . . ? C76 Ir4 C77 36.7(5) . . ? C75 Ir4 C77 63.0(5) . . ? C69 Ir4 C79 125.7(5) . . ? N11 Ir4 C79 92.7(4) . . ? C76 Ir4 C79 64.2(5) . . ? C75 Ir4 C79 39.0(5) . . ? C77 Ir4 C79 62.5(5) . . ? C69 Ir4 C78 159.8(5) . . ? N11 Ir4 C78 103.9(4) . . ? C76 Ir4 C78 63.7(5) . . ? C75 Ir4 C78 64.6(5) . . ? C77 Ir4 C78 37.7(5) . . ? C79 Ir4 C78 37.9(5) . . ? C69 Ir4 Cl4 89.6(3) . . ? N11 Ir4 Cl4 87.5(3) . . ? C76 Ir4 Cl4 116.2(4) . . ? C75 Ir4 Cl4 155.1(3) . . ? C77 Ir4 Cl4 96.2(4) . . ? C79 Ir4 Cl4 144.7(4) . . ? C78 Ir4 Cl4 108.0(4) . . ? C90 Ir5 N14 86.3(4) . . ? C90 Ir5 C97 106.2(9) . . ? N14 Ir5 C97 159.1(6) . . ? C90 Ir5 C96 95.4(5) . . ? N14 Ir5 C96 124.0(7) . . ? C97 Ir5 C96 39.8(9) . . ? C90 Ir5 C100 121.1(5) . . ? N14 Ir5 C100 96.2(5) . . ? C97 Ir5 C100 63.0(6) . . ? C96 Ir5 C100 37.3(6) . . ? C90 Ir5 C98 140.0(10) . . ? N14 Ir5 C98 133.3(10) . . ? C97 Ir5 C98 34.9(10) . . ? C96 Ir5 C98 60.7(8) . . ? C100 Ir5 C98 59.4(6) . . ? C90 Ir5 C99 157.2(6) . . ? N14 Ir5 C99 101.3(6) . . ? C97 Ir5 C99 61.0(8) . . ? C96 Ir5 C99 62.4(6) . . ? C100 Ir5 C99 37.2(6) . . ? C98 Ir5 C99 34.8(8) . . ? C90 Ir5 Cl5 89.2(3) . . ? N14 Ir5 Cl5 87.7(3) . . ? C97 Ir5 Cl5 108.7(8) . . ? C96 Ir5 Cl5 148.1(6) . . ? C100 Ir5 Cl5 149.6(4) . . ? C98 Ir5 Cl5 96.4(5) . . ? C99 Ir5 Cl5 112.4(5) . . ? C111 Ir6 N17 86.4(4) . . ? C111 Ir6 C121 101.8(5) . . ? N17 Ir6 C121 156.1(5) . . ? C111 Ir6 C120 95.8(4) . . ? N17 Ir6 C120 119.1(5) . . ? C121 Ir6 C120 38.4(5) . . ? C111 Ir6 C119 125.0(5) . . ? N17 Ir6 C119 93.3(4) . . ? C121 Ir6 C119 63.5(5) . . ? C120 Ir6 C119 38.6(5) . . ? C111 Ir6 C117 135.3(5) . . ? N17 Ir6 C117 138.1(5) . . ? C121 Ir6 C117 36.8(5) . . ? C120 Ir6 C117 62.6(5) . . ? C119 Ir6 C117 61.9(5) . . ? C111 Ir6 C118 160.0(5) . . ? N17 Ir6 C118 103.5(5) . . ? C121 Ir6 C118 62.5(5) . . ? C120 Ir6 C118 64.2(5) . . ? C119 Ir6 C118 38.4(5) . . ? C117 Ir6 C118 36.1(5) . . ? C111 Ir6 Cl6 88.9(3) . . ? N17 Ir6 Cl6 87.3(3) . . ? C121 Ir6 Cl6 115.0(4) . . ? C120 Ir6 Cl6 153.4(4) . . ? C119 Ir6 Cl6 146.1(4) . . ? C117 Ir6 Cl6 96.0(4) . . ? C118 Ir6 Cl6 108.6(4) . . ? C8 N1 C1 127.2(10) . . ? C8 N1 H1 116.4 . . ? C1 N1 H1 116.4 . . ? C11 N2 C8 118.1(10) . . ? C11 N2 Ir1 119.3(9) . . ? C8 N2 Ir1 119.3(7) . . ? C9 N3 C8 115.7(11) . . ? C29 N4 C22 128.9(10) . . ? C29 N4 H4A 115.5 . . ? C22 N4 H4A 115.5 . . ? C30 N5 C29 118.2(11) . . ? C30 N5 Ir2 119.1(9) . . ? C29 N5 Ir2 120.0(8) . . ? C32 N6 C29 116.9(11) . . ? C50 N7 C43 126.9(10) . . ? C50 N7 H7 116.5 . . ? C43 N7 H7 116.5 . . ? C51 N8 C50 116.9(11) . . ? C51 N8 Ir3 120.2(9) . . ? C50 N8 Ir3 119.7(8) . . ? C53 N9 C50 115.4(11) . . ? C71 N10 C64 127.5(10) . . ? C71 N10 H10 116.2 . . ? C64 N10 H10 116.2 . . ? C72 N11 C71 117.4(9) . . ? C72 N11 Ir4 118.3(8) . . ? C71 N11 Ir4 120.8(7) . . ? C74 N12 C71 116.3(10) . . ? C92 N13 C85 126.6(10) . . ? C92 N13 H13 116.7 . . ? C85 N13 H13 116.7 . . ? C93 N14 C92 117.0(10) . . ? C93 N14 Ir5 118.9(9) . . ? C92 N14 Ir5 120.9(7) . . ? C95 N15 C92 115.3(10) . . ? C113 N16 C106 128.2(10) . . ? C113 N16 H16 115.9 . . ? C106 N16 H16 115.9 . . ? C114 N17 C113 118.5(10) . . ? C114 N17 Ir6 118.6(9) . . ? C113 N17 Ir6 119.5(8) . . ? C116 N18 C113 116.5(11) . . ? C6 C1 C2 123.9(12) . . ? C6 C1 N1 120.1(10) . . ? C2 C1 N1 116.0(11) . . ? C1 C2 C3 117.7(13) . . ? C1 C2 C7 122.0(12) . . ? C3 C2 C7 120.2(11) . . ? C4 C3 C2 120.5(12) . . ? C4 C3 H3 119.8 . . ? C2 C3 H3 119.8 . . ? C5 C4 C3 119.1(12) . . ? C5 C4 H4 120.4 . . ? C3 C4 H4 120.5 . . ? C4 C5 C6 123.7(12) . . ? C4 C5 H5 118.1 . . ? C6 C5 H5 118.2 . . ? C1 C6 C5 114.8(11) . . ? C1 C6 Ir1 123.1(9) . . ? C5 C6 Ir1 122.0(10) . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.4 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N2 C8 N3 123.4(10) . . ? N2 C8 N1 121.2(10) . . ? N3 C8 N1 115.4(10) . . ? N3 C9 C10 124.1(13) . . ? N3 C9 H9 117.9 . . ? C10 C9 H9 117.9 . . ? C11 C10 C9 115.6(12) . . ? C11 C10 H10A 122.2 . . ? C9 C10 H10A 122.2 . . ? N2 C11 C10 122.0(12) . . ? N2 C11 H11 119.0 . . ? C10 C11 H11 119.0 . . ? C13 C12 C16 104.4(11) . . ? C13 C12 C17 127.7(16) . . ? C16 C12 C17 128.0(15) . . ? C13 C12 Ir1 69.9(6) . . ? C16 C12 Ir1 70.4(7) . . ? C17 C12 Ir1 124.0(10) . . ? C12 C13 C14 107.4(11) . . ? C12 C13 C18 128.3(15) . . ? C14 C13 C18 124.2(14) . . ? C12 C13 Ir1 70.5(7) . . ? C14 C13 Ir1 74.4(7) . . ? C18 C13 Ir1 123.9(9) . . ? C15 C14 C19 131.1(14) . . ? C15 C14 C13 107.1(12) . . ? C19 C14 C13 121.8(13) . . ? C15 C14 Ir1 72.6(8) . . ? C19 C14 Ir1 126.3(9) . . ? C13 C14 Ir1 65.9(6) . . ? C14 C15 C16 110.8(12) . . ? C14 C15 C20 124.9(14) . . ? C16 C15 C20 124.2(14) . . ? C14 C15 Ir1 72.6(8) . . ? C16 C15 Ir1 67.5(8) . . ? C20 C15 Ir1 129.8(10) . . ? C15 C16 C12 110.2(12) . . ? C15 C16 C21 125.5(14) . . ? C12 C16 C21 124.1(14) . . ? C15 C16 Ir1 75.7(8) . . ? C12 C16 Ir1 70.2(7) . . ? C21 C16 Ir1 125.1(9) . . ? C12 C17 H17A 109.4 . . ? C12 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C12 C17 H17C 109.6 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C13 C18 H18A 109.6 . . ? C13 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C13 C18 H18C 109.4 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C14 C19 H19A 109.5 . . ? C14 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C14 C19 H19C 109.4 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C16 C21 H21A 109.5 . . ? C16 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C16 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? N4 C22 C27 121.9(10) . . ? N4 C22 C23 116.6(12) . . ? C27 C22 C23 121.5(12) . . ? C24 C23 C22 118.1(13) . . ? C24 C23 C28 121.4(12) . . ? C22 C23 C28 120.5(12) . . ? C25 C24 C23 121.2(13) . . ? C25 C24 H24 119.4 . . ? C23 C24 H24 119.4 . . ? C26 C25 C24 119.2(13) . . ? C26 C25 H25 120.4 . . ? C24 C25 H25 120.4 . . ? C25 C26 C27 123.7(13) . . ? C25 C26 H26 118.1 . . ? C27 C26 H26 118.1 . . ? C26 C27 C22 116.1(11) . . ? C26 C27 Ir2 122.9(9) . . ? C22 C27 Ir2 120.8(8) . . ? C23 C28 H28A 109.5 . . ? C23 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C23 C28 H28C 109.4 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? N4 C29 N6 117.6(10) . . ? N4 C29 N5 119.7(11) . . ? N6 C29 N5 122.6(10) . . ? N5 C30 C31 121.6(12) . . ? N5 C30 H30 119.2 . . ? C31 C30 H30 119.2 . . ? C32 C31 C30 114.9(12) . . ? C32 C31 H31 122.5 . . ? C30 C31 H31 122.5 . . ? N6 C32 C31 124.5(14) . . ? N6 C32 H32 117.7 . . ? C31 C32 H32 117.7 . . ? C37 C33 C34 111.2(14) . . ? C37 C33 C38 126.6(16) . . ? C34 C33 C38 122.2(16) . . ? C37 C33 Ir2 70.7(8) . . ? C34 C33 Ir2 74.4(8) . . ? C38 C33 Ir2 124.1(10) . . ? C35 C34 C33 104.4(15) . . ? C35 C34 C39 130.7(19) . . ? C33 C34 C39 124.6(17) . . ? C35 C34 Ir2 70.1(9) . . ? C33 C34 Ir2 68.2(8) . . ? C39 C34 Ir2 130.0(12) . . ? C34 C35 C36 110.7(16) . . ? C34 C35 C40 123(2) . . ? C36 C35 C40 126(2) . . ? C34 C35 Ir2 73.7(9) . . ? C36 C35 Ir2 67.8(9) . . ? C40 C35 Ir2 123.8(11) . . ? C37 C36 C35 106.8(15) . . ? C37 C36 C41 129(3) . . ? C35 C36 C41 124(3) . . ? C37 C36 Ir2 72.4(10) . . ? C35 C36 Ir2 73.4(9) . . ? C41 C36 Ir2 124.8(12) . . ? C36 C37 C33 106.8(16) . . ? C36 C37 C42 124(2) . . ? C33 C37 C42 129(2) . . ? C36 C37 Ir2 69.8(9) . . ? C33 C37 Ir2 71.2(8) . . ? C42 C37 Ir2 124.1(11) . . ? C33 C38 H38A 109.5 . . ? C33 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C33 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C34 C39 H39A 109.5 . . ? C34 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C34 C39 H39C 109.4 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C35 C40 H40A 109.5 . . ? C35 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C35 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C36 C41 H41A 109.4 . . ? C36 C41 H41B 109.6 . . ? H41A C41 H41B 109.5 . . ? C36 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C37 C42 H42A 109.6 . . ? C37 C42 H42B 109.4 . . ? H42A C42 H42B 109.5 . . ? C37 C42 H42C 109.4 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C48 C43 N7 123.3(10) . . ? C48 C43 C44 121.9(12) . . ? N7 C43 C44 114.8(11) . . ? C45 C44 C43 117.0(12) . . ? C45 C44 C49 121.4(11) . . ? C43 C44 C49 121.5(12) . . ? C46 C45 C44 121.5(12) . . ? C46 C45 H45 119.2 . . ? C44 C45 H45 119.3 . . ? C45 C46 C47 119.6(12) . . ? C45 C46 H46 120.2 . . ? C47 C46 H46 120.2 . . ? C48 C47 C46 121.6(12) . . ? C48 C47 H47 119.2 . . ? C46 C47 H47 119.2 . . ? C43 C48 C47 117.9(11) . . ? C43 C48 Ir3 120.7(8) . . ? C47 C48 Ir3 121.2(9) . . ? C44 C49 H49A 109.5 . . ? C44 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C44 C49 H49C 109.4 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? N9 C50 N8 124.1(11) . . ? N9 C50 N7 115.8(10) . . ? N8 C50 N7 119.9(11) . . ? N8 C51 C52 122.6(13) . . ? N8 C51 H51 118.7 . . ? C52 C51 H51 118.7 . . ? C53 C52 C51 115.4(12) . . ? C53 C52 H52 122.3 . . ? C51 C52 H52 122.3 . . ? N9 C53 C52 124.4(12) . . ? N9 C53 H53 117.8 . . ? C52 C53 H53 117.8 . . ? C55 C54 C58 110.2(13) . . ? C55 C54 C59 128.0(16) . . ? C58 C54 C59 121.8(14) . . ? C55 C54 Ir3 73.0(8) . . ? C58 C54 Ir3 66.8(7) . . ? C59 C54 Ir3 124.6(9) . . ? C54 C55 C56 106.3(13) . . ? C54 C55 C60 127.8(15) . . ? C56 C55 C60 125.8(15) . . ? C54 C55 Ir3 71.5(8) . . ? C56 C55 Ir3 66.6(7) . . ? C60 C55 Ir3 130.1(10) . . ? C57 C56 C55 109.7(12) . . ? C57 C56 C61 128.1(15) . . ? C55 C56 C61 122.0(15) . . ? C57 C56 Ir3 70.6(7) . . ? C55 C56 Ir3 75.5(8) . . ? C61 C56 Ir3 124.0(10) . . ? C56 C57 C58 107.1(11) . . ? C56 C57 C62 127.7(16) . . ? C58 C57 C62 125.2(15) . . ? C56 C57 Ir3 70.9(7) . . ? C58 C57 Ir3 70.6(7) . . ? C62 C57 Ir3 123.3(9) . . ? C57 C58 C54 106.4(12) . . ? C57 C58 C63 125.1(15) . . ? C54 C58 C63 128.3(15) . . ? C57 C58 Ir3 70.8(7) . . ? C54 C58 Ir3 74.7(8) . . ? C63 C58 Ir3 123.4(9) . . ? C54 C59 H59A 109.5 . . ? C54 C59 H59B 109.4 . . ? H59A C59 H59B 109.5 . . ? C54 C59 H59C 109.4 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C55 C60 H60A 109.4 . . ? C55 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C55 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C56 C61 H61A 109.4 . . ? C56 C61 H61B 109.5 . . ? H61A C61 H61B 109.5 . . ? C56 C61 H61C 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? C57 C62 H62A 109.5 . . ? C57 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? C57 C62 H62C 109.4 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C58 C63 H63A 109.5 . . ? C58 C63 H63B 109.5 . . ? H63A C63 H63B 109.5 . . ? C58 C63 H63C 109.4 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? C69 C64 C65 124.5(11) . . ? C69 C64 N10 120.0(10) . . ? C65 C64 N10 115.4(11) . . ? C64 C65 C66 116.9(11) . . ? C64 C65 C70 122.3(11) . . ? C66 C65 C70 120.7(11) . . ? C65 C66 C67 121.0(12) . . ? C65 C66 H66 119.5 . . ? C67 C66 H66 119.5 . . ? C68 C67 C66 118.7(11) . . ? C68 C67 H67 120.6 . . ? C66 C67 H67 120.7 . . ? C67 C68 C69 124.7(11) . . ? C67 C68 H68 117.6 . . ? C69 C68 H68 117.7 . . ? C64 C69 C68 113.8(10) . . ? C64 C69 Ir4 122.7(8) . . ? C68 C69 Ir4 123.4(9) . . ? C65 C70 H70A 109.5 . . ? C65 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? C65 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? N11 C71 N10 120.9(10) . . ? N11 C71 N12 123.4(10) . . ? N10 C71 N12 115.6(10) . . ? N11 C72 C73 123.0(12) . . ? N11 C72 H72 118.5 . . ? C73 C72 H72 118.5 . . ? C72 C73 C74 114.6(12) . . ? C72 C73 H73 122.7 . . ? C74 C73 H73 122.7 . . ? N12 C74 C73 124.4(13) . . ? N12 C74 H74 117.8 . . ? C73 C74 H74 117.8 . . ? C76 C75 C79 105.9(11) . . ? C76 C75 C80 127.8(13) . . ? C79 C75 C80 126.3(12) . . ? C76 C75 Ir4 69.8(6) . . ? C79 C75 Ir4 71.4(7) . . ? C80 C75 Ir4 125.7(8) . . ? C77 C76 C75 108.6(13) . . ? C77 C76 C81 125.8(14) . . ? C75 C76 C81 125.0(14) . . ? C77 C76 Ir4 73.3(8) . . ? C75 C76 Ir4 71.4(7) . . ? C81 C76 Ir4 128.2(9) . . ? C76 C77 C78 111.9(12) . . ? C76 C77 C82 126.3(15) . . ? C78 C77 C82 121.8(14) . . ? C76 C77 Ir4 70.1(7) . . ? C78 C77 Ir4 73.3(8) . . ? C82 C77 Ir4 123.5(9) . . ? C77 C78 C79 104.5(11) . . ? C77 C78 C83 130.2(13) . . ? C79 C78 C83 125.2(13) . . ? C77 C78 Ir4 69.0(7) . . ? C79 C78 Ir4 69.1(6) . . ? C83 C78 Ir4 129.2(9) . . ? C78 C79 C75 109.1(11) . . ? C78 C79 C84 126.3(12) . . ? C75 C79 C84 124.6(12) . . ? C78 C79 Ir4 73.0(7) . . ? C75 C79 Ir4 69.6(6) . . ? C84 C79 Ir4 123.8(9) . . ? C75 C80 H80A 109.5 . . ? C75 C80 H80B 109.4 . . ? H80A C80 H80B 109.5 . . ? C75 C80 H80C 109.4 . . ? H80A C80 H80C 109.5 . . ? H80B C80 H80C 109.5 . . ? C76 C81 H81A 109.6 . . ? C76 C81 H81B 109.5 . . ? H81A C81 H81B 109.5 . . ? C76 C81 H81C 109.4 . . ? H81A C81 H81C 109.5 . . ? H81B C81 H81C 109.5 . . ? C77 C82 H82A 109.5 . . ? C77 C82 H82B 109.5 . . ? H82A C82 H82B 109.5 . . ? C77 C82 H82C 109.4 . . ? H82A C82 H82C 109.5 . . ? H82B C82 H82C 109.5 . . ? C78 C83 H83A 109.5 . . ? C78 C83 H83B 109.5 . . ? H83A C83 H83B 109.5 . . ? C78 C83 H83C 109.5 . . ? H83A C83 H83C 109.5 . . ? H83B C83 H83C 109.5 . . ? C79 C84 H84A 109.5 . . ? C79 C84 H84B 109.5 . . ? H84A C84 H84B 109.5 . . ? C79 C84 H84C 109.5 . . ? H84A C84 H84C 109.5 . . ? H84B C84 H84C 109.5 . . ? C90 C85 C86 123.9(11) . . ? C90 C85 N13 121.7(11) . . ? C86 C85 N13 114.4(10) . . ? C85 C86 C87 116.7(11) . . ? C85 C86 C91 123.2(11) . . ? C87 C86 C91 120.0(11) . . ? C88 C87 C86 119.8(12) . . ? C88 C87 H87 120.1 . . ? C86 C87 H87 120.2 . . ? C89 C88 C87 120.6(11) . . ? C89 C88 H88 119.6 . . ? C87 C88 H88 119.7 . . ? C88 C89 C90 122.9(11) . . ? C88 C89 H89 118.5 . . ? C90 C89 H89 118.6 . . ? C89 C90 C85 115.8(10) . . ? C89 C90 Ir5 122.2(9) . . ? C85 C90 Ir5 121.9(9) . . ? C86 C91 H91A 109.5 . . ? C86 C91 H91B 109.4 . . ? H91A C91 H91B 109.5 . . ? C86 C91 H91C 109.5 . . ? H91A C91 H91C 109.5 . . ? H91B C91 H91C 109.5 . . ? N14 C92 N15 124.5(10) . . ? N14 C92 N13 120.7(10) . . ? N15 C92 N13 114.5(10) . . ? N14 C93 C94 122.3(13) . . ? N14 C93 H93 118.9 . . ? C94 C93 H93 118.9 . . ? C93 C94 C95 116.1(13) . . ? C93 C94 H94 121.9 . . ? C95 C94 H94 121.9 . . ? N15 C95 C94 123.6(13) . . ? N15 C95 H95 118.2 . . ? C94 C95 H95 118.2 . . ? C100 C96 C97 105.2(16) . . ? C100 C96 C101 126(2) . . ? C97 C96 C101 129(2) . . ? C100 C96 Ir5 72.8(8) . . ? C97 C96 Ir5 69.7(10) . . ? C101 C96 Ir5 124.4(11) . . ? C98 C97 C96 105.9(16) . . ? C98 C97 C102 127(3) . . ? C96 C97 C102 126(3) . . ? C98 C97 Ir5 76.1(14) . . ? C96 C97 Ir5 70.5(9) . . ? C102 C97 Ir5 126.2(12) . . ? C99 C98 C97 116(2) . . ? C99 C98 C103 118(3) . . ? C97 C98 C103 126(3) . . ? C99 C98 Ir5 75.6(11) . . ? C97 C98 Ir5 69.1(12) . . ? C103 C98 Ir5 122.1(13) . . ? C98 C99 C100 103.1(18) . . ? C98 C99 C104 133(3) . . ? C100 C99 C104 124(2) . . ? C98 C99 Ir5 69.6(10) . . ? C100 C99 Ir5 67.1(8) . . ? C104 C99 Ir5 128.1(14) . . ? C96 C100 C99 109.8(15) . . ? C96 C100 C105 126(2) . . ? C99 C100 C105 124(2) . . ? C96 C100 Ir5 69.9(8) . . ? C99 C100 Ir5 75.6(8) . . ? C105 C100 Ir5 123.9(10) . . ? C96 C101 H10E 109.5 . . ? C96 C101 H10F 109.5 . . ? H10E C101 H10F 109.5 . . ? C96 C101 H10G 109.4 . . ? H10E C101 H10G 109.5 . . ? H10F C101 H10G 109.5 . . ? C97 C102 H10B 109.4 . . ? C97 C102 H10C 109.5 . . ? H10B C102 H10C 109.5 . . ? C97 C102 H10D 109.5 . . ? H10B C102 H10D 109.5 . . ? H10C C102 H10D 109.5 . . ? C98 C103 H10N 109.5 . . ? C98 C103 H10O 109.5 . . ? H10N C103 H10O 109.5 . . ? C98 C103 H10P 109.5 . . ? H10N C103 H10P 109.5 . . ? H10O C103 H10P 109.5 . . ? C99 C104 H10H 109.4 . . ? C99 C104 H10I 109.5 . . ? H10H C104 H10I 109.5 . . ? C99 C104 H10J 109.5 . . ? H10H C104 H10J 109.5 . . ? H10I C104 H10J 109.5 . . ? C100 C105 H10K 109.4 . . ? C100 C105 H10L 109.5 . . ? H10K C105 H10L 109.5 . . ? C100 C105 H10M 109.5 . . ? H10K C105 H10M 109.5 . . ? H10L C105 H10M 109.5 . . ? C111 C106 N16 121.7(10) . . ? C111 C106 C107 121.0(11) . . ? N16 C106 C107 117.3(11) . . ? C108 C107 C106 118.5(13) . . ? C108 C107 C112 121.2(12) . . ? C106 C107 C112 120.2(12) . . ? C107 C108 C109 121.5(13) . . ? C107 C108 H108 119.3 . . ? C109 C108 H108 119.2 . . ? C110 C109 C108 118.0(12) . . ? C110 C109 H109 121.0 . . ? C108 C109 H109 121.0 . . ? C109 C110 C111 124.0(12) . . ? C109 C110 H110 118.0 . . ? C111 C110 H110 118.0 . . ? C110 C111 C106 116.8(10) . . ? C110 C111 Ir6 122.6(9) . . ? C106 C111 Ir6 120.5(8) . . ? C107 C112 H11A 109.6 . . ? C107 C112 H11B 109.5 . . ? H11A C112 H11B 109.5 . . ? C107 C112 H11C 109.4 . . ? H11A C112 H11C 109.5 . . ? H11B C112 H11C 109.5 . . ? N17 C113 N16 121.1(12) . . ? N17 C113 N18 122.6(11) . . ? N16 C113 N18 116.3(10) . . ? N17 C114 C115 122.1(12) . . ? N17 C114 H114 119.0 . . ? C115 C114 H114 119.0 . . ? C116 C115 C114 114.0(12) . . ? C116 C115 H115 123.0 . . ? C114 C115 H115 123.0 . . ? N18 C116 C115 125.5(13) . . ? N18 C116 H116 117.2 . . ? C115 C116 H116 117.2 . . ? C121 C117 C118 112.0(13) . . ? C121 C117 C122 127.7(14) . . ? C118 C117 C122 120.3(15) . . ? C121 C117 Ir6 68.9(8) . . ? C118 C117 Ir6 74.1(8) . . ? C122 C117 Ir6 122.8(9) . . ? C117 C118 C119 104.7(12) . . ? C117 C118 C123 131.2(16) . . ? C119 C118 C123 124.0(15) . . ? C117 C118 Ir6 69.8(8) . . ? C119 C118 Ir6 68.1(7) . . ? C123 C118 Ir6 128.4(10) . . ? C120 C119 C118 108.1(11) . . ? C120 C119 C124 128.0(13) . . ? C118 C119 C124 123.9(14) . . ? C120 C119 Ir6 69.4(7) . . ? C118 C119 Ir6 73.5(8) . . ? C124 C119 Ir6 123.8(9) . . ? C119 C120 C121 106.3(11) . . ? C119 C120 C125 126.8(13) . . ? C121 C120 C125 126.8(13) . . ? C119 C120 Ir6 72.1(7) . . ? C121 C120 Ir6 70.2(7) . . ? C125 C120 Ir6 125.0(8) . . ? C117 C121 C120 108.9(13) . . ? C117 C121 C126 123.3(15) . . ? C120 C121 C126 127.4(15) . . ? C117 C121 Ir6 74.3(8) . . ? C120 C121 Ir6 71.4(7) . . ? C126 C121 Ir6 126.9(9) . . ? C117 C122 H12A 109.5 . . ? C117 C122 H12B 109.5 . . ? H12A C122 H12B 109.5 . . ? C117 C122 H12C 109.5 . . ? H12A C122 H12C 109.5 . . ? H12B C122 H12C 109.5 . . ? C118 C123 H12D 109.5 . . ? C118 C123 H12E 109.4 . . ? H12D C123 H12E 109.5 . . ? C118 C123 H12F 109.5 . . ? H12D C123 H12F 109.5 . . ? H12E C123 H12F 109.5 . . ? C119 C124 H12G 109.5 . . ? C119 C124 H12H 109.4 . . ? H12G C124 H12H 109.5 . . ? C119 C124 H12I 109.5 . . ? H12G C124 H12I 109.5 . . ? H12H C124 H12I 109.5 . . ? C120 C125 H12J 109.5 . . ? C120 C125 H12K 109.5 . . ? H12J C125 H12K 109.5 . . ? C120 C125 H12L 109.5 . . ? H12J C125 H12L 109.5 . . ? H12K C125 H12L 109.5 . . ? C121 C126 H12M 109.5 . . ? C121 C126 H12N 109.5 . . ? H12M C126 H12N 109.5 . . ? C121 C126 H12O 109.4 . . ? H12M C126 H12O 109.5 . . ? H12N C126 H12O 109.5 . . ? 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 C6 Ir1 N2 C11 -155.0(11) . . . . ? C13 Ir1 N2 C11 57.9(18) . . . . ? C12 Ir1 N2 C11 113.9(11) . . . . ? C16 Ir1 N2 C11 90.0(11) . . . . ? C15 Ir1 N2 C11 52.8(11) . . . . ? C14 Ir1 N2 C11 28.4(12) . . . . ? Cl1 Ir1 N2 C11 -65.7(10) . . . . ? C6 Ir1 N2 C8 45.9(9) . . . . ? C13 Ir1 N2 C8 -101.3(15) . . . . ? C12 Ir1 N2 C8 -45.3(11) . . . . ? C16 Ir1 N2 C8 -69.2(10) . . . . ? C15 Ir1 N2 C8 -106.4(9) . . . . ? C14 Ir1 N2 C8 -130.8(9) . . . . ? Cl1 Ir1 N2 C8 135.1(9) . . . . ? C27 Ir2 N5 C30 154.0(11) . . . . ? C36 Ir2 N5 C30 -87(2) . . . . ? C37 Ir2 N5 C30 -113.4(11) . . . . ? C33 Ir2 N5 C30 -86.2(11) . . . . ? C35 Ir2 N5 C30 -31.3(13) . . . . ? C34 Ir2 N5 C30 -48.6(11) . . . . ? Cl2 Ir2 N5 C30 65.2(10) . . . . ? C27 Ir2 N5 C29 -45.4(9) . . . . ? C36 Ir2 N5 C29 74(2) . . . . ? C37 Ir2 N5 C29 47.3(11) . . . . ? C33 Ir2 N5 C29 74.5(10) . . . . ? C35 Ir2 N5 C29 129.4(10) . . . . ? C34 Ir2 N5 C29 112.0(10) . . . . ? Cl2 Ir2 N5 C29 -134.2(9) . . . . ? C48 Ir3 N8 C51 -155.1(10) . . . . ? C57 Ir3 N8 C51 112.7(11) . . . . ? C58 Ir3 N8 C51 62.0(18) . . . . ? C56 Ir3 N8 C51 89.8(11) . . . . ? C54 Ir3 N8 C51 29.0(12) . . . . ? C55 Ir3 N8 C51 51.6(11) . . . . ? Cl3 Ir3 N8 C51 -66.0(10) . . . . ? C48 Ir3 N8 C50 45.7(9) . . . . ? C57 Ir3 N8 C50 -46.5(11) . . . . ? C58 Ir3 N8 C50 -97.2(16) . . . . ? C56 Ir3 N8 C50 -69.5(10) . . . . ? C54 Ir3 N8 C50 -130.3(9) . . . . ? C55 Ir3 N8 C50 -107.6(10) . . . . ? Cl3 Ir3 N8 C50 134.8(9) . . . . ? C69 Ir4 N11 C72 156.8(10) . . . . ? C76 Ir4 N11 C72 -97.3(14) . . . . ? C75 Ir4 N11 C72 -109.2(10) . . . . ? C77 Ir4 N11 C72 -29.6(13) . . . . ? C79 Ir4 N11 C72 -77.6(10) . . . . ? C78 Ir4 N11 C72 -40.9(10) . . . . ? Cl4 Ir4 N11 C72 67.1(9) . . . . ? C69 Ir4 N11 C71 -44.7(9) . . . . ? C76 Ir4 N11 C71 61.3(15) . . . . ? C75 Ir4 N11 C71 49.3(10) . . . . ? C77 Ir4 N11 C71 128.9(10) . . . . ? C79 Ir4 N11 C71 80.9(10) . . . . ? C78 Ir4 N11 C71 117.6(10) . . . . ? Cl4 Ir4 N11 C71 -134.4(9) . . . . ? C90 Ir5 N14 C93 -155.7(11) . . . . ? C97 Ir5 N14 C93 76(3) . . . . ? C96 Ir5 N14 C93 110.3(11) . . . . ? C100 Ir5 N14 C93 83.4(11) . . . . ? C98 Ir5 N14 C93 30.3(14) . . . . ? C99 Ir5 N14 C93 46.1(11) . . . . ? Cl5 Ir5 N14 C93 -66.3(10) . . . . ? C90 Ir5 N14 C92 44.9(9) . . . . ? C97 Ir5 N14 C92 -83(3) . . . . ? C96 Ir5 N14 C92 -49.1(11) . . . . ? C100 Ir5 N14 C92 -76.0(10) . . . . ? C98 Ir5 N14 C92 -129.1(11) . . . . ? C99 Ir5 N14 C92 -113.3(10) . . . . ? Cl5 Ir5 N14 C92 134.3(9) . . . . ? C111 Ir6 N17 C114 155.5(10) . . . . ? C121 Ir6 N17 C114 -93.1(14) . . . . ? C120 Ir6 N17 C114 -109.8(10) . . . . ? C119 Ir6 N17 C114 -79.6(10) . . . . ? C117 Ir6 N17 C114 -29.6(13) . . . . ? C118 Ir6 N17 C114 -42.1(11) . . . . ? Cl6 Ir6 N17 C114 66.4(9) . . . . ? C111 Ir6 N17 C113 -45.8(9) . . . . ? C121 Ir6 N17 C113 65.6(16) . . . . ? C120 Ir6 N17 C113 48.9(10) . . . . ? C119 Ir6 N17 C113 79.1(10) . . . . ? C117 Ir6 N17 C113 129.1(10) . . . . ? C118 Ir6 N17 C113 116.6(10) . . . . ? Cl6 Ir6 N17 C113 -134.9(9) . . . . ? C8 N1 C1 C6 32(2) . . . . ? C8 N1 C1 C2 -150.8(12) . . . . ? C6 C1 C2 C3 -3(2) . . . . ? N1 C1 C2 C3 -179.8(11) . . . . ? C6 C1 C2 C7 -179.1(12) . . . . ? N1 C1 C2 C7 4.2(18) . . . . ? C1 C2 C3 C4 2.0(19) . . . . ? C7 C2 C3 C4 178.0(12) . . . . ? C2 C3 C4 C5 -3.1(19) . . . . ? C3 C4 C5 C6 6(2) . . . . ? C2 C1 C6 C5 5(2) . . . . ? N1 C1 C6 C5 -178.3(11) . . . . ? C2 C1 C6 Ir1 -171.1(10) . . . . ? N1 C1 C6 Ir1 5.4(18) . . . . ? C4 C5 C6 C1 -6.3(19) . . . . ? C4 C5 C6 Ir1 170.0(10) . . . . ? N2 Ir1 C6 C1 -34.0(11) . . . . ? C13 Ir1 C6 C1 134.5(11) . . . . ? C12 Ir1 C6 C1 97.8(12) . . . . ? C16 Ir1 C6 C1 63.7(13) . . . . ? C15 Ir1 C6 C1 63.9(17) . . . . ? C14 Ir1 C6 C1 140.4(11) . . . . ? Cl1 Ir1 C6 C1 -121.7(11) . . . . ? N2 Ir1 C6 C5 150.0(11) . . . . ? C13 Ir1 C6 C5 -41.5(12) . . . . ? C12 Ir1 C6 C5 -78.2(11) . . . . ? C16 Ir1 C6 C5 -112.3(10) . . . . ? C15 Ir1 C6 C5 -112.1(12) . . . . ? C14 Ir1 C6 C5 -35.6(16) . . . . ? Cl1 Ir1 C6 C5 62.3(10) . . . . ? C11 N2 C8 N3 -11.9(18) . . . . ? Ir1 N2 C8 N3 147.5(9) . . . . ? C11 N2 C8 N1 171.8(12) . . . . ? Ir1 N2 C8 N1 -28.7(15) . . . . ? C9 N3 C8 N2 9.7(18) . . . . ? C9 N3 C8 N1 -173.8(11) . . . . ? C1 N1 C8 N2 -18.6(19) . . . . ? C1 N1 C8 N3 164.8(12) . . . . ? C8 N3 C9 C10 0(2) . . . . ? N3 C9 C10 C11 -6(2) . . . . ? C8 N2 C11 C10 4(2) . . . . ? Ir1 N2 C11 C10 -155.1(10) . . . . ? C9 C10 C11 N2 4(2) . . . . ? C6 Ir1 C12 C13 118.7(8) . . . . ? N2 Ir1 C12 C13 -153.4(8) . . . . ? C16 Ir1 C12 C13 -114.2(11) . . . . ? C15 Ir1 C12 C13 -78.2(8) . . . . ? C14 Ir1 C12 C13 -39.5(7) . . . . ? Cl1 Ir1 C12 C13 26.0(10) . . . . ? C6 Ir1 C12 C16 -127.1(8) . . . . ? N2 Ir1 C12 C16 -39.2(10) . . . . ? C13 Ir1 C12 C16 114.2(11) . . . . ? C15 Ir1 C12 C16 36.1(8) . . . . ? C14 Ir1 C12 C16 74.7(8) . . . . ? Cl1 Ir1 C12 C16 140.2(7) . . . . ? C6 Ir1 C12 C17 -3.8(16) . . . . ? N2 Ir1 C12 C17 84.0(17) . . . . ? C13 Ir1 C12 C17 -122.5(19) . . . . ? C16 Ir1 C12 C17 123.2(19) . . . . ? C15 Ir1 C12 C17 159.3(17) . . . . ? C14 Ir1 C12 C17 -162.0(17) . . . . ? Cl1 Ir1 C12 C17 -96.6(15) . . . . ? C16 C12 C13 C14 3.3(13) . . . . ? C17 C12 C13 C14 -176.1(13) . . . . ? Ir1 C12 C13 C14 65.8(8) . . . . ? C16 C12 C13 C18 179.1(12) . . . . ? C17 C12 C13 C18 0(2) . . . . ? Ir1 C12 C13 C18 -118.4(13) . . . . ? C16 C12 C13 Ir1 -62.5(8) . . . . ? C17 C12 C13 Ir1 118.1(14) . . . . ? C6 Ir1 C13 C12 -69.3(9) . . . . ? N2 Ir1 C13 C12 75.3(16) . . . . ? C16 Ir1 C13 C12 39.9(8) . . . . ? C15 Ir1 C13 C12 81.1(8) . . . . ? C14 Ir1 C13 C12 115.3(10) . . . . ? Cl1 Ir1 C13 C12 -163.4(7) . . . . ? C6 Ir1 C13 C14 175.4(7) . . . . ? N2 Ir1 C13 C14 -40.0(16) . . . . ? C12 Ir1 C13 C14 -115.3(10) . . . . ? C16 Ir1 C13 C14 -75.5(8) . . . . ? C15 Ir1 C13 C14 -34.3(7) . . . . ? Cl1 Ir1 C13 C14 81.3(7) . . . . ? C6 Ir1 C13 C18 54.4(15) . . . . ? N2 Ir1 C13 C18 -161.0(13) . . . . ? C12 Ir1 C13 C18 123.7(17) . . . . ? C16 Ir1 C13 C18 163.5(16) . . . . ? C15 Ir1 C13 C18 -155.3(15) . . . . ? C14 Ir1 C13 C18 -121.0(16) . . . . ? Cl1 Ir1 C13 C18 -39.7(14) . . . . ? C12 C13 C14 C15 -2.0(14) . . . . ? C18 C13 C14 C15 -178.1(12) . . . . ? Ir1 C13 C14 C15 61.2(9) . . . . ? C12 C13 C14 C19 177.7(11) . . . . ? C18 C13 C14 C19 1.7(18) . . . . ? Ir1 C13 C14 C19 -119.0(11) . . . . ? C12 C13 C14 Ir1 -63.2(8) . . . . ? C18 C13 C14 Ir1 120.7(11) . . . . ? C6 Ir1 C14 C15 -127.4(10) . . . . ? N2 Ir1 C14 C15 46.0(10) . . . . ? C13 Ir1 C14 C15 -118.6(11) . . . . ? C12 Ir1 C14 C15 -79.3(9) . . . . ? C16 Ir1 C14 C15 -35.2(8) . . . . ? Cl1 Ir1 C14 C15 136.3(8) . . . . ? C6 Ir1 C14 C19 104.0(15) . . . . ? N2 Ir1 C14 C19 -82.6(14) . . . . ? C13 Ir1 C14 C19 112.8(15) . . . . ? C12 Ir1 C14 C19 152.1(15) . . . . ? C16 Ir1 C14 C19 -163.8(15) . . . . ? C15 Ir1 C14 C19 -128.6(17) . . . . ? Cl1 Ir1 C14 C19 7.7(13) . . . . ? C6 Ir1 C14 C13 -8.7(13) . . . . ? N2 Ir1 C14 C13 164.6(7) . . . . ? C12 Ir1 C14 C13 39.3(7) . . . . ? C16 Ir1 C14 C13 83.4(8) . . . . ? C15 Ir1 C14 C13 118.6(11) . . . . ? Cl1 Ir1 C14 C13 -105.1(7) . . . . ? C19 C14 C15 C16 -180.0(13) . . . . ? C13 C14 C15 C16 -0.2(15) . . . . ? Ir1 C14 C15 C16 56.7(10) . . . . ? C19 C14 C15 C20 -4(2) . . . . ? C13 C14 C15 C20 176.2(12) . . . . ? Ir1 C14 C15 C20 -126.9(14) . . . . ? C19 C14 C15 Ir1 123.3(15) . . . . ? C13 C14 C15 Ir1 -57.0(8) . . . . ? C6 Ir1 C15 C14 122.0(12) . . . . ? N2 Ir1 C15 C14 -142.9(8) . . . . ? C13 Ir1 C15 C14 39.1(8) . . . . ? C12 Ir1 C15 C14 83.6(9) . . . . ? C16 Ir1 C15 C14 122.2(12) . . . . ? Cl1 Ir1 C15 C14 -51.7(9) . . . . ? C6 Ir1 C15 C16 -0.3(15) . . . . ? N2 Ir1 C15 C16 94.9(8) . . . . ? C13 Ir1 C15 C16 -83.1(8) . . . . ? C12 Ir1 C15 C16 -38.6(8) . . . . ? C14 Ir1 C15 C16 -122.2(12) . . . . ? Cl1 Ir1 C15 C16 -173.9(6) . . . . ? C6 Ir1 C15 C20 -116.8(15) . . . . ? N2 Ir1 C15 C20 -21.6(15) . . . . ? C13 Ir1 C15 C20 160.4(16) . . . . ? C12 Ir1 C15 C20 -155.1(16) . . . . ? C16 Ir1 C15 C20 -116.5(18) . . . . ? C14 Ir1 C15 C20 121.3(18) . . . . ? Cl1 Ir1 C15 C20 69.6(15) . . . . ? C14 C15 C16 C12 2.5(16) . . . . ? C20 C15 C16 C12 -174.0(12) . . . . ? Ir1 C15 C16 C12 62.2(9) . . . . ? C14 C15 C16 C21 177.1(13) . . . . ? C20 C15 C16 C21 1(2) . . . . ? Ir1 C15 C16 C21 -123.2(13) . . . . ? C14 C15 C16 Ir1 -59.7(10) . . . . ? C20 C15 C16 Ir1 123.8(13) . . . . ? C13 C12 C16 C15 -3.6(14) . . . . ? C17 C12 C16 C15 175.9(13) . . . . ? Ir1 C12 C16 C15 -65.7(9) . . . . ? C13 C12 C16 C21 -178.3(12) . . . . ? C17 C12 C16 C21 1(2) . . . . ? Ir1 C12 C16 C21 119.6(13) . . . . ? C13 C12 C16 Ir1 62.1(8) . . . . ? C17 C12 C16 Ir1 -118.4(14) . . . . ? C6 Ir1 C16 C15 179.9(8) . . . . ? N2 Ir1 C16 C15 -90.4(8) . . . . ? C13 Ir1 C16 C15 78.0(8) . . . . ? C12 Ir1 C16 C15 118.0(11) . . . . ? C14 Ir1 C16 C15 33.3(8) . . . . ? Cl1 Ir1 C16 C15 12.8(13) . . . . ? C6 Ir1 C16 C12 61.8(9) . . . . ? N2 Ir1 C16 C12 151.6(7) . . . . ? C13 Ir1 C16 C12 -40.0(7) . . . . ? C15 Ir1 C16 C12 -118.0(11) . . . . ? C14 Ir1 C16 C12 -84.7(8) . . . . ? Cl1 Ir1 C16 C12 -105.2(10) . . . . ? C6 Ir1 C16 C21 -56.5(14) . . . . ? N2 Ir1 C16 C21 33.2(14) . . . . ? C13 Ir1 C16 C21 -158.4(15) . . . . ? C12 Ir1 C16 C21 -118.4(17) . . . . ? C15 Ir1 C16 C21 123.6(17) . . . . ? C14 Ir1 C16 C21 156.9(15) . . . . ? Cl1 Ir1 C16 C21 136.4(11) . . . . ? C29 N4 C22 C27 -30(2) . . . . ? C29 N4 C22 C23 149.3(13) . . . . ? N4 C22 C23 C24 179.7(12) . . . . ? C27 C22 C23 C24 -0.8(19) . . . . ? N4 C22 C23 C28 0.6(19) . . . . ? C27 C22 C23 C28 -180.0(12) . . . . ? C22 C23 C24 C25 1(2) . . . . ? C28 C23 C24 C25 -179.7(13) . . . . ? C23 C24 C25 C26 2(2) . . . . ? C24 C25 C26 C27 -6(2) . . . . ? C25 C26 C27 C22 5.8(19) . . . . ? C25 C26 C27 Ir2 -169.0(11) . . . . ? N4 C22 C27 C26 177.0(12) . . . . ? C23 C22 C27 C26 -2.4(18) . . . . ? N4 C22 C27 Ir2 -8.1(17) . . . . ? C23 C22 C27 Ir2 172.5(9) . . . . ? N5 Ir2 C27 C26 -150.6(10) . . . . ? C36 Ir2 C27 C26 48.8(12) . . . . ? C37 Ir2 C27 C26 85.8(11) . . . . ? C33 Ir2 C27 C26 115.4(10) . . . . ? C35 Ir2 C27 C26 35.6(14) . . . . ? C34 Ir2 C27 C26 104.0(16) . . . . ? Cl2 Ir2 C27 C26 -62.4(10) . . . . ? N5 Ir2 C27 C22 34.9(10) . . . . ? C36 Ir2 C27 C22 -125.8(11) . . . . ? C37 Ir2 C27 C22 -88.7(11) . . . . ? C33 Ir2 C27 C22 -59.1(12) . . . . ? C35 Ir2 C27 C22 -138.9(11) . . . . ? C34 Ir2 C27 C22 -70.6(19) . . . . ? Cl2 Ir2 C27 C22 123.0(10) . . . . ? C22 N4 C29 N6 -165.4(13) . . . . ? C22 N4 C29 N5 19(2) . . . . ? C32 N6 C29 N4 173.3(12) . . . . ? C32 N6 C29 N5 -10.8(19) . . . . ? C30 N5 C29 N4 -171.5(12) . . . . ? Ir2 N5 C29 N4 27.6(15) . . . . ? C30 N5 C29 N6 12.6(19) . . . . ? Ir2 N5 C29 N6 -148.2(10) . . . . ? C29 N5 C30 C31 -5(2) . . . . ? Ir2 N5 C30 C31 156.3(11) . . . . ? N5 C30 C31 C32 -4(2) . . . . ? C29 N6 C32 C31 1(2) . . . . ? C30 C31 C32 N6 6(2) . . . . ? C27 Ir2 C33 C37 -53.0(12) . . . . ? N5 Ir2 C33 C37 -141.9(11) . . . . ? C36 Ir2 C33 C37 37.9(12) . . . . ? C35 Ir2 C33 C37 82.0(12) . . . . ? C34 Ir2 C33 C37 119.7(14) . . . . ? Cl2 Ir2 C33 C37 122.5(12) . . . . ? C27 Ir2 C33 C34 -172.6(9) . . . . ? N5 Ir2 C33 C34 98.4(10) . . . . ? C36 Ir2 C33 C34 -81.8(12) . . . . ? C37 Ir2 C33 C34 -119.7(14) . . . . ? C35 Ir2 C33 C34 -37.6(11) . . . . ? Cl2 Ir2 C33 C34 2.8(15) . . . . ? C27 Ir2 C33 C38 68.8(16) . . . . ? N5 Ir2 C33 C38 -20.1(15) . . . . ? C36 Ir2 C33 C38 159.6(18) . . . . ? C37 Ir2 C33 C38 121.8(19) . . . . ? C35 Ir2 C33 C38 -156.2(18) . . . . ? C34 Ir2 C33 C38 -118.6(19) . . . . ? Cl2 Ir2 C33 C38 -115.7(13) . . . . ? C37 C33 C34 C35 -0.4(17) . . . . ? C38 C33 C34 C35 -178.0(13) . . . . ? Ir2 C33 C34 C35 61.2(10) . . . . ? C37 C33 C34 C39 174.0(15) . . . . ? C38 C33 C34 C39 -4(2) . . . . ? Ir2 C33 C34 C39 -124.4(16) . . . . ? C37 C33 C34 Ir2 -61.6(10) . . . . ? C38 C33 C34 Ir2 120.8(14) . . . . ? C27 Ir2 C34 C35 -99.1(19) . . . . ? N5 Ir2 C34 C35 158.0(12) . . . . ? C36 Ir2 C34 C35 -36.6(12) . . . . ? C37 Ir2 C34 C35 -78.9(12) . . . . ? C33 Ir2 C34 C35 -115.5(15) . . . . ? Cl2 Ir2 C34 C35 66.0(12) . . . . ? C27 Ir2 C34 C33 16(2) . . . . ? N5 Ir2 C34 C33 -86.5(9) . . . . ? C36 Ir2 C34 C33 78.9(11) . . . . ? C37 Ir2 C34 C33 36.6(10) . . . . ? C35 Ir2 C34 C33 115.5(15) . . . . ? Cl2 Ir2 C34 C33 -178.5(8) . . . . ? C27 Ir2 C34 C39 133.9(17) . . . . ? N5 Ir2 C34 C39 31.0(18) . . . . ? C36 Ir2 C34 C39 -164(2) . . . . ? C37 Ir2 C34 C39 154(2) . . . . ? C33 Ir2 C34 C39 118(2) . . . . ? C35 Ir2 C34 C39 -127(2) . . . . ? Cl2 Ir2 C34 C39 -61.0(19) . . . . ? C33 C34 C35 C36 -2.0(17) . . . . ? C39 C34 C35 C36 -176.0(16) . . . . ? Ir2 C34 C35 C36 57.9(11) . . . . ? C33 C34 C35 C40 -180.0(13) . . . . ? C39 C34 C35 C40 6(3) . . . . ? Ir2 C34 C35 C40 -120.1(15) . . . . ? C33 C34 C35 Ir2 -59.9(10) . . . . ? C39 C34 C35 Ir2 126.1(18) . . . . ? C27 Ir2 C35 C34 141.8(11) . . . . ? N5 Ir2 C35 C34 -29.9(14) . . . . ? C36 Ir2 C35 C34 121.1(16) . . . . ? C37 Ir2 C35 C34 82.2(11) . . . . ? C33 Ir2 C35 C34 38.9(10) . . . . ? Cl2 Ir2 C35 C34 -122.8(10) . . . . ? C27 Ir2 C35 C36 20.6(15) . . . . ? N5 Ir2 C35 C36 -151.0(12) . . . . ? C37 Ir2 C35 C36 -38.9(10) . . . . ? C33 Ir2 C35 C36 -82.3(12) . . . . ? C34 Ir2 C35 C36 -121.1(16) . . . . ? Cl2 Ir2 C35 C36 116.1(11) . . . . ? C27 Ir2 C35 C40 -99(2) . . . . ? N5 Ir2 C35 C40 89(2) . . . . ? C36 Ir2 C35 C40 -120(3) . . . . ? C37 Ir2 C35 C40 -159(2) . . . . ? C33 Ir2 C35 C40 158(2) . . . . ? C34 Ir2 C35 C40 119(3) . . . . ? Cl2 Ir2 C35 C40 -4(2) . . . . ? C34 C35 C36 C37 3.8(18) . . . . ? C40 C35 C36 C37 -178.4(14) . . . . ? Ir2 C35 C36 C37 65.2(11) . . . . ? C34 C35 C36 C41 177.4(15) . . . . ? C40 C35 C36 C41 -5(3) . . . . ? Ir2 C35 C36 C41 -121.2(16) . . . . ? C34 C35 C36 Ir2 -61.4(12) . . . . ? C40 C35 C36 Ir2 116.5(15) . . . . ? C27 Ir2 C36 C37 78.9(11) . . . . ? N5 Ir2 C36 C37 -37(3) . . . . ? C33 Ir2 C36 C37 -38.1(10) . . . . ? C35 Ir2 C36 C37 -114.3(15) . . . . ? C34 Ir2 C36 C37 -80.0(11) . . . . ? Cl2 Ir2 C36 C37 172.8(9) . . . . ? C27 Ir2 C36 C35 -166.8(10) . . . . ? N5 Ir2 C36 C35 77(3) . . . . ? C37 Ir2 C36 C35 114.3(15) . . . . ? C33 Ir2 C36 C35 76.2(10) . . . . ? C34 Ir2 C36 C35 34.2(9) . . . . ? Cl2 Ir2 C36 C35 -72.9(10) . . . . ? C27 Ir2 C36 C41 -46(3) . . . . ? N5 Ir2 C36 C41 -163(2) . . . . ? C37 Ir2 C36 C41 -125(3) . . . . ? C33 Ir2 C36 C41 -163(3) . . . . ? C35 Ir2 C36 C41 121(3) . . . . ? C34 Ir2 C36 C41 155(3) . . . . ? Cl2 Ir2 C36 C41 48(3) . . . . ? C35 C36 C37 C33 -3.8(17) . . . . ? C41 C36 C37 C33 -177.1(15) . . . . ? Ir2 C36 C37 C33 62.0(11) . . . . ? C35 C36 C37 C42 176.0(14) . . . . ? C41 C36 C37 C42 3(3) . . . . ? Ir2 C36 C37 C42 -118.2(16) . . . . ? C35 C36 C37 Ir2 -65.8(10) . . . . ? C41 C36 C37 Ir2 120.9(18) . . . . ? C34 C33 C37 C36 2.7(17) . . . . ? C38 C33 C37 C36 -179.8(14) . . . . ? Ir2 C33 C37 C36 -61.1(10) . . . . ? C34 C33 C37 C42 -177.0(15) . . . . ? C38 C33 C37 C42 0(3) . . . . ? Ir2 C33 C37 C42 119.2(17) . . . . ? C34 C33 C37 Ir2 63.8(11) . . . . ? C38 C33 C37 Ir2 -118.7(15) . . . . ? C27 Ir2 C37 C36 -107.1(12) . . . . ? N5 Ir2 C37 C36 164.4(11) . . . . ? C33 Ir2 C37 C36 116.8(15) . . . . ? C35 Ir2 C37 C36 40.0(11) . . . . ? C34 Ir2 C37 C36 80.7(12) . . . . ? Cl2 Ir2 C37 C36 -12.8(17) . . . . ? C27 Ir2 C37 C33 136.1(10) . . . . ? N5 Ir2 C37 C33 47.6(12) . . . . ? C36 Ir2 C37 C33 -116.8(15) . . . . ? C35 Ir2 C37 C33 -76.8(11) . . . . ? C34 Ir2 C37 C33 -36.0(9) . . . . ? Cl2 Ir2 C37 C33 -129.6(9) . . . . ? C27 Ir2 C37 C42 11(2) . . . . ? N5 Ir2 C37 C42 -77(2) . . . . ? C36 Ir2 C37 C42 118(3) . . . . ? C33 Ir2 C37 C42 -125(3) . . . . ? C35 Ir2 C37 C42 158(2) . . . . ? C34 Ir2 C37 C42 -161(2) . . . . ? Cl2 Ir2 C37 C42 106(2) . . . . ? C50 N7 C43 C48 32(2) . . . . ? C50 N7 C43 C44 -149.9(11) . . . . ? C48 C43 C44 C45 -1.1(19) . . . . ? N7 C43 C44 C45 -179.0(11) . . . . ? C48 C43 C44 C49 -179.4(12) . . . . ? N7 C43 C44 C49 2.6(18) . . . . ? C43 C44 C45 C46 1(2) . . . . ? C49 C44 C45 C46 179.0(13) . . . . ? C44 C45 C46 C47 -4(2) . . . . ? C45 C46 C47 C48 7(2) . . . . ? N7 C43 C48 C47 -177.8(12) . . . . ? C44 C43 C48 C47 4.4(19) . . . . ? N7 C43 C48 Ir3 5.8(18) . . . . ? C44 C43 C48 Ir3 -172.0(9) . . . . ? C46 C47 C48 C43 -7.4(19) . . . . ? C46 C47 C48 Ir3 168.9(10) . . . . ? N8 Ir3 C48 C43 -34.3(10) . . . . ? C57 Ir3 C48 C43 96.8(11) . . . . ? C58 Ir3 C48 C43 133.2(10) . . . . ? C56 Ir3 C48 C43 63.5(11) . . . . ? C54 Ir3 C48 C43 139.7(10) . . . . ? C55 Ir3 C48 C43 64.8(16) . . . . ? Cl3 Ir3 C48 C43 -122.2(10) . . . . ? N8 Ir3 C48 C47 149.4(10) . . . . ? C57 Ir3 C48 C47 -79.4(11) . . . . ? C58 Ir3 C48 C47 -43.0(11) . . . . ? C56 Ir3 C48 C47 -112.7(10) . . . . ? C54 Ir3 C48 C47 -36.6(14) . . . . ? C55 Ir3 C48 C47 -111.4(13) . . . . ? Cl3 Ir3 C48 C47 61.5(9) . . . . ? C53 N9 C50 N8 11.4(18) . . . . ? C53 N9 C50 N7 -173.5(11) . . . . ? C51 N8 C50 N9 -12.8(18) . . . . ? Ir3 N8 C50 N9 147.1(10) . . . . ? C51 N8 C50 N7 172.3(11) . . . . ? Ir3 N8 C50 N7 -27.8(14) . . . . ? C43 N7 C50 N9 165.7(12) . . . . ? C43 N7 C50 N8 -19.0(18) . . . . ? C50 N8 C51 C52 5(2) . . . . ? Ir3 N8 C51 C52 -155.1(11) . . . . ? N8 C51 C52 C53 3(2) . . . . ? C50 N9 C53 C52 -2.2(19) . . . . ? C51 C52 C53 N9 -5(2) . . . . ? C48 Ir3 C54 C55 -131.4(10) . . . . ? N8 Ir3 C54 C55 41.2(11) . . . . ? C57 Ir3 C54 C55 -81.8(10) . . . . ? C58 Ir3 C54 C55 -121.6(12) . . . . ? C56 Ir3 C54 C55 -38.1(9) . . . . ? Cl3 Ir3 C54 C55 132.3(9) . . . . ? C48 Ir3 C54 C58 -9.8(13) . . . . ? N8 Ir3 C54 C58 162.8(7) . . . . ? C57 Ir3 C54 C58 39.8(8) . . . . ? C56 Ir3 C54 C58 83.5(9) . . . . ? C55 Ir3 C54 C58 121.6(12) . . . . ? Cl3 Ir3 C54 C58 -106.1(7) . . . . ? C48 Ir3 C54 C59 103.8(16) . . . . ? N8 Ir3 C54 C59 -83.7(15) . . . . ? C57 Ir3 C54 C59 153.4(16) . . . . ? C58 Ir3 C54 C59 113.6(17) . . . . ? C56 Ir3 C54 C59 -163.0(17) . . . . ? C55 Ir3 C54 C59 -124.8(19) . . . . ? Cl3 Ir3 C54 C59 7.5(14) . . . . ? C58 C54 C55 C56 1.3(15) . . . . ? C59 C54 C55 C56 178.8(12) . . . . ? Ir3 C54 C55 C56 57.8(9) . . . . ? C58 C54 C55 C60 176.6(13) . . . . ? C59 C54 C55 C60 -6(2) . . . . ? Ir3 C54 C55 C60 -126.9(15) . . . . ? C58 C54 C55 Ir3 -56.5(9) . . . . ? C59 C54 C55 Ir3 121.0(14) . . . . ? C48 Ir3 C55 C54 115.9(13) . . . . ? N8 Ir3 C55 C54 -147.5(9) . . . . ? C57 Ir3 C55 C54 79.7(10) . . . . ? C58 Ir3 C55 C54 36.4(9) . . . . ? C56 Ir3 C55 C54 117.8(13) . . . . ? Cl3 Ir3 C55 C54 -56.2(10) . . . . ? C48 Ir3 C55 C56 -1.9(16) . . . . ? N8 Ir3 C55 C56 94.7(8) . . . . ? C57 Ir3 C55 C56 -38.0(9) . . . . ? C58 Ir3 C55 C56 -81.4(9) . . . . ? C54 Ir3 C55 C56 -117.8(13) . . . . ? Cl3 Ir3 C55 C56 -174.0(7) . . . . ? C48 Ir3 C55 C60 -119.9(15) . . . . ? N8 Ir3 C55 C60 -23.3(16) . . . . ? C57 Ir3 C55 C60 -156.0(17) . . . . ? C58 Ir3 C55 C60 160.6(17) . . . . ? C56 Ir3 C55 C60 -118.0(19) . . . . ? C54 Ir3 C55 C60 124(2) . . . . ? Cl3 Ir3 C55 C60 68.0(16) . . . . ? C54 C55 C56 C57 1.9(15) . . . . ? C60 C55 C56 C57 -173.6(13) . . . . ? Ir3 C55 C56 C57 62.8(9) . . . . ? C54 C55 C56 C61 177.7(13) . . . . ? C60 C55 C56 C61 2(2) . . . . ? Ir3 C55 C56 C61 -121.3(14) . . . . ? C54 C55 C56 Ir3 -61.0(10) . . . . ? C60 C55 C56 Ir3 123.6(14) . . . . ? C48 Ir3 C56 C57 61.6(9) . . . . ? N8 Ir3 C56 C57 151.9(8) . . . . ? C58 Ir3 C56 C57 -38.2(8) . . . . ? C54 Ir3 C56 C57 -81.7(9) . . . . ? C55 Ir3 C56 C57 -117.4(12) . . . . ? Cl3 Ir3 C56 C57 -104.7(12) . . . . ? C48 Ir3 C56 C55 179.1(8) . . . . ? N8 Ir3 C56 C55 -90.7(8) . . . . ? C57 Ir3 C56 C55 117.4(12) . . . . ? C58 Ir3 C56 C55 79.2(9) . . . . ? C54 Ir3 C56 C55 35.8(8) . . . . ? Cl3 Ir3 C56 C55 12.8(15) . . . . ? C48 Ir3 C56 C61 -61.9(16) . . . . ? N8 Ir3 C56 C61 28.4(15) . . . . ? C57 Ir3 C56 C61 -123.5(18) . . . . ? C58 Ir3 C56 C61 -161.7(17) . . . . ? C54 Ir3 C56 C61 154.8(17) . . . . ? C55 Ir3 C56 C61 119.0(19) . . . . ? Cl3 Ir3 C56 C61 131.8(12) . . . . ? C55 C56 C57 C58 -4.3(14) . . . . ? C61 C56 C57 C58 -179.8(13) . . . . ? Ir3 C56 C57 C58 61.6(8) . . . . ? C55 C56 C57 C62 176.2(13) . . . . ? C61 C56 C57 C62 1(2) . . . . ? Ir3 C56 C57 C62 -117.9(13) . . . . ? C55 C56 C57 Ir3 -66.0(10) . . . . ? C61 C56 C57 Ir3 118.5(15) . . . . ? C48 Ir3 C57 C56 -127.2(8) . . . . ? N8 Ir3 C57 C56 -38.3(10) . . . . ? C58 Ir3 C57 C56 116.9(11) . . . . ? C54 Ir3 C57 C56 77.2(8) . . . . ? C55 Ir3 C57 C56 37.4(8) . . . . ? Cl3 Ir3 C57 C56 139.6(7) . . . . ? C48 Ir3 C57 C58 115.9(8) . . . . ? N8 Ir3 C57 C58 -155.2(8) . . . . ? C56 Ir3 C57 C58 -116.9(11) . . . . ? C54 Ir3 C57 C58 -39.7(8) . . . . ? C55 Ir3 C57 C58 -79.5(9) . . . . ? Cl3 Ir3 C57 C58 22.7(11) . . . . ? C48 Ir3 C57 C62 -4.1(15) . . . . ? N8 Ir3 C57 C62 84.8(16) . . . . ? C58 Ir3 C57 C62 -120.0(19) . . . . ? C56 Ir3 C57 C62 123.1(19) . . . . ? C54 Ir3 C57 C62 -159.7(17) . . . . ? C55 Ir3 C57 C62 160.5(17) . . . . ? Cl3 Ir3 C57 C62 -97.3(15) . . . . ? C56 C57 C58 C54 4.9(14) . . . . ? C62 C57 C58 C54 -175.5(12) . . . . ? Ir3 C57 C58 C54 66.8(8) . . . . ? C56 C57 C58 C63 -179.8(12) . . . . ? C62 C57 C58 C63 0(2) . . . . ? Ir3 C57 C58 C63 -117.9(13) . . . . ? C56 C57 C58 Ir3 -61.9(9) . . . . ? C62 C57 C58 Ir3 117.7(13) . . . . ? C55 C54 C58 C57 -3.9(15) . . . . ? C59 C54 C58 C57 178.4(11) . . . . ? Ir3 C54 C58 C57 -64.2(8) . . . . ? C55 C54 C58 C63 -179.0(13) . . . . ? C59 C54 C58 C63 3(2) . . . . ? Ir3 C54 C58 C63 120.8(13) . . . . ? C55 C54 C58 Ir3 60.2(10) . . . . ? C59 C54 C58 Ir3 -117.5(12) . . . . ? C48 Ir3 C58 C57 -71.6(9) . . . . ? N8 Ir3 C58 C57 68.8(17) . . . . ? C56 Ir3 C58 C57 38.1(8) . . . . ? C54 Ir3 C58 C57 113.9(11) . . . . ? C55 Ir3 C58 C57 80.4(9) . . . . ? Cl3 Ir3 C58 C57 -165.5(7) . . . . ? C48 Ir3 C58 C54 174.4(7) . . . . ? N8 Ir3 C58 C54 -45.1(17) . . . . ? C57 Ir3 C58 C54 -113.9(11) . . . . ? C56 Ir3 C58 C54 -75.9(8) . . . . ? C55 Ir3 C58 C54 -33.5(8) . . . . ? Cl3 Ir3 C58 C54 80.6(7) . . . . ? C48 Ir3 C58 C63 48.3(15) . . . . ? N8 Ir3 C58 C63 -171.2(13) . . . . ? C57 Ir3 C58 C63 120.0(18) . . . . ? C56 Ir3 C58 C63 158.0(16) . . . . ? C54 Ir3 C58 C63 -126.1(17) . . . . ? C55 Ir3 C58 C63 -159.6(16) . . . . ? Cl3 Ir3 C58 C63 -45.5(15) . . . . ? C71 N10 C64 C69 -33.4(19) . . . . ? C71 N10 C64 C65 150.2(12) . . . . ? C69 C64 C65 C66 3.6(19) . . . . ? N10 C64 C65 C66 179.7(11) . . . . ? C69 C64 C65 C70 -179.0(12) . . . . ? N10 C64 C65 C70 -2.8(18) . . . . ? C64 C65 C66 C67 -1.2(19) . . . . ? C70 C65 C66 C67 -178.7(12) . . . . ? C65 C66 C67 C68 1(2) . . . . ? C66 C67 C68 C69 -4(2) . . . . ? C65 C64 C69 C68 -5.7(18) . . . . ? N10 C64 C69 C68 178.3(11) . . . . ? C65 C64 C69 Ir4 172.3(9) . . . . ? N10 C64 C69 Ir4 -3.7(17) . . . . ? C67 C68 C69 C64 6.0(18) . . . . ? C67 C68 C69 Ir4 -172.0(10) . . . . ? N11 Ir4 C69 C64 31.8(10) . . . . ? C76 Ir4 C69 C64 -124.2(10) . . . . ? C75 Ir4 C69 C64 -85.2(11) . . . . ? C77 Ir4 C69 C64 -142.7(10) . . . . ? C79 Ir4 C69 C64 -58.8(12) . . . . ? C78 Ir4 C69 C64 -89.4(17) . . . . ? Cl4 Ir4 C69 C64 119.3(10) . . . . ? N11 Ir4 C69 C68 -150.4(10) . . . . ? C76 Ir4 C69 C68 53.7(11) . . . . ? C75 Ir4 C69 C68 92.6(10) . . . . ? C77 Ir4 C69 C68 35.2(13) . . . . ? C79 Ir4 C69 C68 119.1(10) . . . . ? C78 Ir4 C69 C68 88.4(16) . . . . ? Cl4 Ir4 C69 C68 -62.9(10) . . . . ? C72 N11 C71 N10 -173.6(11) . . . . ? Ir4 N11 C71 N10 27.7(15) . . . . ? C72 N11 C71 N12 11.1(18) . . . . ? Ir4 N11 C71 N12 -147.6(9) . . . . ? C64 N10 C71 N11 19.5(19) . . . . ? C64 N10 C71 N12 -164.9(12) . . . . ? C74 N12 C71 N11 -9.3(19) . . . . ? C74 N12 C71 N10 175.2(11) . . . . ? C71 N11 C72 C73 -4(2) . . . . ? Ir4 N11 C72 C73 154.8(10) . . . . ? N11 C72 C73 C74 -3(2) . . . . ? C71 N12 C74 C73 1(2) . . . . ? C72 C73 C74 N12 5(2) . . . . ? C69 Ir4 C75 C76 -99.5(8) . . . . ? N11 Ir4 C75 C76 172.1(7) . . . . ? C77 Ir4 C75 C76 36.7(8) . . . . ? C79 Ir4 C75 C76 115.6(11) . . . . ? C78 Ir4 C75 C76 78.9(8) . . . . ? Cl4 Ir4 C75 C76 0.9(13) . . . . ? C69 Ir4 C75 C79 144.9(7) . . . . ? N11 Ir4 C75 C79 56.5(8) . . . . ? C76 Ir4 C75 C79 -115.6(11) . . . . ? C77 Ir4 C75 C79 -78.9(8) . . . . ? C78 Ir4 C75 C79 -36.7(7) . . . . ? Cl4 Ir4 C75 C79 -114.7(9) . . . . ? C69 Ir4 C75 C80 23.1(12) . . . . ? N11 Ir4 C75 C80 -65.3(12) . . . . ? C76 Ir4 C75 C80 122.6(15) . . . . ? C77 Ir4 C75 C80 159.3(13) . . . . ? C79 Ir4 C75 C80 -121.8(14) . . . . ? C78 Ir4 C75 C80 -158.5(13) . . . . ? Cl4 Ir4 C75 C80 123.5(10) . . . . ? C79 C75 C76 C77 -1.5(14) . . . . ? C80 C75 C76 C77 175.7(11) . . . . ? Ir4 C75 C76 C77 -64.2(9) . . . . ? C79 C75 C76 C81 -173.2(11) . . . . ? C80 C75 C76 C81 4(2) . . . . ? Ir4 C75 C76 C81 124.1(12) . . . . ? C79 C75 C76 Ir4 62.7(8) . . . . ? C80 C75 C76 Ir4 -120.1(12) . . . . ? C69 Ir4 C76 C77 -157.1(8) . . . . ? N11 Ir4 C76 C77 99.9(13) . . . . ? C75 Ir4 C76 C77 117.0(12) . . . . ? C79 Ir4 C76 C77 77.9(9) . . . . ? C78 Ir4 C76 C77 35.5(8) . . . . ? Cl4 Ir4 C76 C77 -62.6(9) . . . . ? C69 Ir4 C76 C75 85.9(8) . . . . ? N11 Ir4 C76 C75 -17.1(16) . . . . ? C77 Ir4 C76 C75 -117.0(12) . . . . ? C79 Ir4 C76 C75 -39.0(7) . . . . ? C78 Ir4 C76 C75 -81.4(8) . . . . ? Cl4 Ir4 C76 C75 -179.6(6) . . . . ? C69 Ir4 C76 C81 -34.4(15) . . . . ? N11 Ir4 C76 C81 -137.4(13) . . . . ? C75 Ir4 C76 C81 -120.3(17) . . . . ? C77 Ir4 C76 C81 122.8(18) . . . . ? C79 Ir4 C76 C81 -159.3(16) . . . . ? C78 Ir4 C76 C81 158.3(16) . . . . ? Cl4 Ir4 C76 C81 60.1(15) . . . . ? C75 C76 C77 C78 1.4(15) . . . . ? C81 C76 C77 C78 173.0(12) . . . . ? Ir4 C76 C77 C78 -61.6(10) . . . . ? C75 C76 C77 C82 -179.5(12) . . . . ? C81 C76 C77 C82 -8(2) . . . . ? Ir4 C76 C77 C82 117.5(13) . . . . ? C75 C76 C77 Ir4 63.0(8) . . . . ? C81 C76 C77 Ir4 -125.4(13) . . . . ? C69 Ir4 C77 C76 31.6(11) . . . . ? N11 Ir4 C77 C76 -139.7(9) . . . . ? C75 Ir4 C77 C76 -38.9(8) . . . . ? C79 Ir4 C77 C76 -82.9(9) . . . . ? C78 Ir4 C77 C76 -121.6(12) . . . . ? Cl4 Ir4 C77 C76 126.7(8) . . . . ? C69 Ir4 C77 C78 153.2(8) . . . . ? N11 Ir4 C77 C78 -18.1(12) . . . . ? C76 Ir4 C77 C78 121.6(12) . . . . ? C75 Ir4 C77 C78 82.7(8) . . . . ? C79 Ir4 C77 C78 38.6(8) . . . . ? Cl4 Ir4 C77 C78 -111.7(8) . . . . ? C69 Ir4 C77 C82 -89.4(15) . . . . ? N11 Ir4 C77 C82 99.3(15) . . . . ? C76 Ir4 C77 C82 -121.0(18) . . . . ? C75 Ir4 C77 C82 -159.8(16) . . . . ? C79 Ir4 C77 C82 156.1(16) . . . . ? C78 Ir4 C77 C82 117.5(17) . . . . ? Cl4 Ir4 C77 C82 5.8(14) . . . . ? C76 C77 C78 C79 -0.8(14) . . . . ? C82 C77 C78 C79 -179.9(11) . . . . ? Ir4 C77 C78 C79 -60.4(8) . . . . ? C76 C77 C78 C83 -176.1(13) . . . . ? C82 C77 C78 C83 5(2) . . . . ? Ir4 C77 C78 C83 124.2(14) . . . . ? C76 C77 C78 Ir4 59.7(9) . . . . ? C82 C77 C78 Ir4 -119.5(12) . . . . ? C69 Ir4 C78 C77 -73.4(16) . . . . ? N11 Ir4 C78 C77 168.2(8) . . . . ? C76 Ir4 C78 C77 -34.6(8) . . . . ? C75 Ir4 C78 C77 -78.0(8) . . . . ? C79 Ir4 C78 C77 -115.7(11) . . . . ? Cl4 Ir4 C78 C77 76.3(8) . . . . ? C69 Ir4 C78 C79 42.3(17) . . . . ? N11 Ir4 C78 C79 -76.1(8) . . . . ? C76 Ir4 C78 C79 81.1(8) . . . . ? C75 Ir4 C78 C79 37.7(7) . . . . ? C77 Ir4 C78 C79 115.7(11) . . . . ? Cl4 Ir4 C78 C79 -168.0(6) . . . . ? C69 Ir4 C78 C83 161.3(13) . . . . ? N11 Ir4 C78 C83 42.9(14) . . . . ? C76 Ir4 C78 C83 -159.9(15) . . . . ? C75 Ir4 C78 C83 156.7(15) . . . . ? C77 Ir4 C78 C83 -125.3(17) . . . . ? C79 Ir4 C78 C83 119.0(16) . . . . ? Cl4 Ir4 C78 C83 -49.0(14) . . . . ? C77 C78 C79 C75 -0.2(13) . . . . ? C83 C78 C79 C75 175.4(12) . . . . ? Ir4 C78 C79 C75 -60.6(8) . . . . ? C77 C78 C79 C84 -179.9(12) . . . . ? C83 C78 C79 C84 -4(2) . . . . ? Ir4 C78 C79 C84 119.7(13) . . . . ? C77 C78 C79 Ir4 60.4(8) . . . . ? C83 C78 C79 Ir4 -124.0(13) . . . . ? C76 C75 C79 C78 1.0(13) . . . . ? C80 C75 C79 C78 -176.2(11) . . . . ? Ir4 C75 C79 C78 62.7(8) . . . . ? C76 C75 C79 C84 -179.3(11) . . . . ? C80 C75 C79 C84 3.5(19) . . . . ? Ir4 C75 C79 C84 -117.6(12) . . . . ? C76 C75 C79 Ir4 -61.6(8) . . . . ? C80 C75 C79 Ir4 121.1(12) . . . . ? C69 Ir4 C79 C78 -163.4(7) . . . . ? N11 Ir4 C79 C78 109.4(7) . . . . ? C76 Ir4 C79 C78 -79.6(8) . . . . ? C75 Ir4 C79 C78 -118.6(10) . . . . ? C77 Ir4 C79 C78 -38.4(8) . . . . ? Cl4 Ir4 C79 C78 20.0(10) . . . . ? C69 Ir4 C79 C75 -44.8(9) . . . . ? N11 Ir4 C79 C75 -132.1(7) . . . . ? C76 Ir4 C79 C75 39.0(7) . . . . ? C77 Ir4 C79 C75 80.2(8) . . . . ? C78 Ir4 C79 C75 118.6(10) . . . . ? Cl4 Ir4 C79 C75 138.5(6) . . . . ? C69 Ir4 C79 C84 73.9(13) . . . . ? N11 Ir4 C79 C84 -13.4(12) . . . . ? C76 Ir4 C79 C84 157.6(14) . . . . ? C75 Ir4 C79 C84 118.7(15) . . . . ? C77 Ir4 C79 C84 -161.2(14) . . . . ? C78 Ir4 C79 C84 -122.7(15) . . . . ? Cl4 Ir4 C79 C84 -102.8(11) . . . . ? C92 N13 C85 C90 31.1(19) . . . . ? C92 N13 C85 C86 -149.9(11) . . . . ? C90 C85 C86 C87 -2.0(18) . . . . ? N13 C85 C86 C87 179.0(11) . . . . ? C90 C85 C86 C91 -178.8(12) . . . . ? N13 C85 C86 C91 2.3(17) . . . . ? C85 C86 C87 C88 2.1(18) . . . . ? C91 C86 C87 C88 178.9(12) . . . . ? C86 C87 C88 C89 -4(2) . . . . ? C87 C88 C89 C90 6(2) . . . . ? C88 C89 C90 C85 -5.7(19) . . . . ? C88 C89 C90 Ir5 170.7(10) . . . . ? C86 C85 C90 C89 3.7(19) . . . . ? N13 C85 C90 C89 -177.5(11) . . . . ? C86 C85 C90 Ir5 -172.7(9) . . . . ? N13 C85 C90 Ir5 6.1(17) . . . . ? N14 Ir5 C90 C89 150.1(10) . . . . ? C97 Ir5 C90 C89 -47.0(13) . . . . ? C96 Ir5 C90 C89 -86.1(12) . . . . ? C100 Ir5 C90 C89 -114.9(10) . . . . ? C98 Ir5 C90 C89 -36.7(14) . . . . ? C99 Ir5 C90 C89 -99.3(19) . . . . ? Cl5 Ir5 C90 C89 62.3(10) . . . . ? N14 Ir5 C90 C85 -33.7(10) . . . . ? C97 Ir5 C90 C85 129.2(12) . . . . ? C96 Ir5 C90 C85 90.1(12) . . . . ? C100 Ir5 C90 C85 61.3(12) . . . . ? C98 Ir5 C90 C85 139.5(11) . . . . ? C99 Ir5 C90 C85 77(2) . . . . ? Cl5 Ir5 C90 C85 -121.5(10) . . . . ? C93 N14 C92 N15 -13.3(19) . . . . ? Ir5 N14 C92 N15 146.5(10) . . . . ? C93 N14 C92 N13 173.0(12) . . . . ? Ir5 N14 C92 N13 -27.2(15) . . . . ? C95 N15 C92 N14 11.7(19) . . . . ? C95 N15 C92 N13 -174.3(11) . . . . ? C85 N13 C92 N14 -19.0(19) . . . . ? C85 N13 C92 N15 166.7(12) . . . . ? C92 N14 C93 C94 6(2) . . . . ? Ir5 N14 C93 C94 -154.0(12) . . . . ? N14 C93 C94 C95 1(2) . . . . ? C92 N15 C95 C94 -3(2) . . . . ? C93 C94 C95 N15 -3(2) . . . . ? C90 Ir5 C96 C100 -137.1(10) . . . . ? N14 Ir5 C96 C100 -47.9(11) . . . . ? C97 Ir5 C96 C100 114.1(15) . . . . ? C98 Ir5 C96 C100 76.9(12) . . . . ? C99 Ir5 C96 C100 37.2(10) . . . . ? Cl5 Ir5 C96 C100 125.7(10) . . . . ? C90 Ir5 C96 C97 108.9(13) . . . . ? N14 Ir5 C96 C97 -161.9(12) . . . . ? C100 Ir5 C96 C97 -114.1(15) . . . . ? C98 Ir5 C96 C97 -37.1(11) . . . . ? C99 Ir5 C96 C97 -76.9(13) . . . . ? Cl5 Ir5 C96 C97 11.6(16) . . . . ? C90 Ir5 C96 C101 -15(2) . . . . ? N14 Ir5 C96 C101 74(2) . . . . ? C97 Ir5 C96 C101 -124(3) . . . . ? C100 Ir5 C96 C101 122(3) . . . . ? C98 Ir5 C96 C101 -161(3) . . . . ? C99 Ir5 C96 C101 159(2) . . . . ? Cl5 Ir5 C96 C101 -112(2) . . . . ? C100 C96 C97 C98 3.8(19) . . . . ? C101 C96 C97 C98 -173.1(17) . . . . ? Ir5 C96 C97 C98 68.5(15) . . . . ? C100 C96 C97 C102 174.2(16) . . . . ? C101 C96 C97 C102 -3(3) . . . . ? Ir5 C96 C97 C102 -121.1(17) . . . . ? C100 C96 C97 Ir5 -64.7(10) . . . . ? C101 C96 C97 Ir5 118.4(16) . . . . ? C90 Ir5 C97 C98 168.4(13) . . . . ? N14 Ir5 C97 C98 -67(4) . . . . ? C96 Ir5 C97 C98 -112.8(15) . . . . ? C100 Ir5 C97 C98 -74.5(12) . . . . ? C99 Ir5 C97 C98 -32.1(12) . . . . ? Cl5 Ir5 C97 C98 73.6(13) . . . . ? C90 Ir5 C97 C96 -78.7(11) . . . . ? N14 Ir5 C97 C96 46(4) . . . . ? C100 Ir5 C97 C96 38.4(9) . . . . ? C98 Ir5 C97 C96 112.8(15) . . . . ? C99 Ir5 C97 C96 80.7(10) . . . . ? Cl5 Ir5 C97 C96 -173.5(9) . . . . ? C90 Ir5 C97 C102 43(3) . . . . ? N14 Ir5 C97 C102 168(2) . . . . ? C96 Ir5 C97 C102 121(4) . . . . ? C100 Ir5 C97 C102 160(4) . . . . ? C98 Ir5 C97 C102 -126(4) . . . . ? C99 Ir5 C97 C102 -158(4) . . . . ? Cl5 Ir5 C97 C102 -52(3) . . . . ? C96 C97 C98 C99 -3(2) . . . . ? C102 C97 C98 C99 -173.7(18) . . . . ? Ir5 C97 C98 C99 61.2(17) . . . . ? C96 C97 C98 C103 -179.7(16) . . . . ? C102 C97 C98 C103 10(4) . . . . ? Ir5 C97 C98 C103 -115(2) . . . . ? C96 C97 C98 Ir5 -64.6(11) . . . . ? C102 C97 C98 Ir5 125(2) . . . . ? C90 Ir5 C98 C99 -142.9(14) . . . . ? N14 Ir5 C98 C99 27.8(19) . . . . ? C97 Ir5 C98 C99 -125(2) . . . . ? C96 Ir5 C98 C99 -82.9(13) . . . . ? C100 Ir5 C98 C99 -39.6(12) . . . . ? Cl5 Ir5 C98 C99 120.7(14) . . . . ? C90 Ir5 C98 C97 -17.4(19) . . . . ? N14 Ir5 C98 C97 153.2(15) . . . . ? C96 Ir5 C98 C97 42.6(13) . . . . ? C100 Ir5 C98 C97 85.8(15) . . . . ? C99 Ir5 C98 C97 125(2) . . . . ? Cl5 Ir5 C98 C97 -113.9(15) . . . . ? C90 Ir5 C98 C103 103(3) . . . . ? N14 Ir5 C98 C103 -86(3) . . . . ? C97 Ir5 C98 C103 121(4) . . . . ? C96 Ir5 C98 C103 163(3) . . . . ? C100 Ir5 C98 C103 -154(3) . . . . ? C99 Ir5 C98 C103 -114(4) . . . . ? Cl5 Ir5 C98 C103 7(3) . . . . ? C97 C98 C99 C100 1(2) . . . . ? C103 C98 C99 C100 178.1(14) . . . . ? Ir5 C98 C99 C100 59.2(11) . . . . ? C97 C98 C99 C104 179(2) . . . . ? C103 C98 C99 C104 -5(3) . . . . ? Ir5 C98 C99 C104 -124(2) . . . . ? C97 C98 C99 Ir5 -57.7(16) . . . . ? C103 C98 C99 Ir5 118.9(17) . . . . ? C90 Ir5 C99 C98 93(3) . . . . ? N14 Ir5 C99 C98 -159.7(16) . . . . ? C97 Ir5 C99 C98 32.2(16) . . . . ? C96 Ir5 C99 C98 77.6(16) . . . . ? C100 Ir5 C99 C98 114.8(18) . . . . ? Cl5 Ir5 C99 C98 -67.5(16) . . . . ? C90 Ir5 C99 C100 -22(2) . . . . ? N14 Ir5 C99 C100 85.4(10) . . . . ? C97 Ir5 C99 C100 -82.7(14) . . . . ? C96 Ir5 C99 C100 -37.2(10) . . . . ? C98 Ir5 C99 C100 -114.8(18) . . . . ? Cl5 Ir5 C99 C100 177.6(9) . . . . ? C90 Ir5 C99 C104 -139(2) . . . . ? N14 Ir5 C99 C104 -31(3) . . . . ? C97 Ir5 C99 C104 161(3) . . . . ? C96 Ir5 C99 C104 -154(3) . . . . ? C100 Ir5 C99 C104 -116(3) . . . . ? C98 Ir5 C99 C104 129(3) . . . . ? Cl5 Ir5 C99 C104 61(3) . . . . ? C97 C96 C100 C99 -3.1(16) . . . . ? C101 C96 C100 C99 174.0(14) . . . . ? Ir5 C96 C100 C99 -65.7(10) . . . . ? C97 C96 C100 C105 -179.4(14) . . . . ? C101 C96 C100 C105 -2(2) . . . . ? Ir5 C96 C100 C105 118.0(15) . . . . ? C97 C96 C100 Ir5 62.6(10) . . . . ? C101 C96 C100 Ir5 -120.3(15) . . . . ? C98 C99 C100 C96 1.2(17) . . . . ? C104 C99 C100 C96 -176.4(16) . . . . ? Ir5 C99 C100 C96 62.1(10) . . . . ? C98 C99 C100 C105 177.6(15) . . . . ? C104 C99 C100 C105 0(2) . . . . ? Ir5 C99 C100 C105 -121.5(15) . . . . ? C98 C99 C100 Ir5 -60.9(12) . . . . ? C104 C99 C100 Ir5 121.6(17) . . . . ? C90 Ir5 C100 C96 52.4(12) . . . . ? N14 Ir5 C100 C96 141.8(10) . . . . ? C97 Ir5 C100 C96 -41.0(13) . . . . ? C98 Ir5 C100 C96 -80.7(14) . . . . ? C99 Ir5 C100 C96 -117.7(15) . . . . ? Cl5 Ir5 C100 C96 -122.0(12) . . . . ? C90 Ir5 C100 C99 170.1(11) . . . . ? N14 Ir5 C100 C99 -100.5(11) . . . . ? C97 Ir5 C100 C99 76.8(14) . . . . ? C96 Ir5 C100 C99 117.7(15) . . . . ? C98 Ir5 C100 C99 37.0(13) . . . . ? Cl5 Ir5 C100 C99 -4.3(16) . . . . ? C90 Ir5 C100 C105 -68(2) . . . . ? N14 Ir5 C100 C105 21(2) . . . . ? C97 Ir5 C100 C105 -162(2) . . . . ? C96 Ir5 C100 C105 -121(2) . . . . ? C98 Ir5 C100 C105 159(2) . . . . ? C99 Ir5 C100 C105 122(2) . . . . ? Cl5 Ir5 C100 C105 117.4(17) . . . . ? C113 N16 C106 C111 -30.5(19) . . . . ? C113 N16 C106 C107 150.3(12) . . . . ? C111 C106 C107 C108 1.9(18) . . . . ? N16 C106 C107 C108 -178.9(11) . . . . ? C111 C106 C107 C112 178.8(11) . . . . ? N16 C106 C107 C112 -2.0(17) . . . . ? C106 C107 C108 C109 -1(2) . . . . ? C112 C107 C108 C109 -177.9(13) . . . . ? C107 C108 C109 C110 2(2) . . . . ? C108 C109 C110 C111 -5(2) . . . . ? C109 C110 C111 C106 5.7(19) . . . . ? C109 C110 C111 Ir6 -170.4(10) . . . . ? N16 C106 C111 C110 176.7(11) . . . . ? C107 C106 C111 C110 -4.1(17) . . . . ? N16 C106 C111 Ir6 -7.1(16) . . . . ? C107 C106 C111 Ir6 172.1(9) . . . . ? N17 Ir6 C111 C110 -149.7(10) . . . . ? C121 Ir6 C111 C110 53.0(10) . . . . ? C120 Ir6 C111 C110 91.4(10) . . . . ? C119 Ir6 C111 C110 118.8(10) . . . . ? C117 Ir6 C111 C110 35.2(13) . . . . ? C118 Ir6 C111 C110 89.6(17) . . . . ? Cl6 Ir6 C111 C110 -62.3(9) . . . . ? N17 Ir6 C111 C106 34.3(9) . . . . ? C121 Ir6 C111 C106 -123.0(10) . . . . ? C120 Ir6 C111 C106 -84.6(10) . . . . ? C119 Ir6 C111 C106 -57.2(11) . . . . ? C117 Ir6 C111 C106 -140.8(9) . . . . ? C118 Ir6 C111 C106 -86.4(18) . . . . ? Cl6 Ir6 C111 C106 121.7(9) . . . . ? C114 N17 C113 N16 -172.6(11) . . . . ? Ir6 N17 C113 N16 28.7(15) . . . . ? C114 N17 C113 N18 9.8(19) . . . . ? Ir6 N17 C113 N18 -149.0(9) . . . . ? C106 N16 C113 N17 18(2) . . . . ? C106 N16 C113 N18 -164.3(12) . . . . ? C116 N18 C113 N17 -7.7(19) . . . . ? C116 N18 C113 N16 174.6(11) . . . . ? C113 N17 C114 C115 -4(2) . . . . ? Ir6 N17 C114 C115 155.1(10) . . . . ? N17 C114 C115 C116 -3(2) . . . . ? C113 N18 C116 C115 0(2) . . . . ? C114 C115 C116 N18 6(2) . . . . ? C111 Ir6 C117 C121 30.1(11) . . . . ? N17 Ir6 C117 C121 -142.7(8) . . . . ? C120 Ir6 C117 C121 -38.7(8) . . . . ? C119 Ir6 C117 C121 -82.5(9) . . . . ? C118 Ir6 C117 C121 -121.8(12) . . . . ? Cl6 Ir6 C117 C121 124.6(8) . . . . ? C111 Ir6 C117 C118 151.9(9) . . . . ? N17 Ir6 C117 C118 -20.9(12) . . . . ? C121 Ir6 C117 C118 121.8(12) . . . . ? C120 Ir6 C117 C118 83.1(9) . . . . ? C119 Ir6 C117 C118 39.3(9) . . . . ? Cl6 Ir6 C117 C118 -113.6(9) . . . . ? C111 Ir6 C117 C122 -91.9(14) . . . . ? N17 Ir6 C117 C122 95.3(14) . . . . ? C121 Ir6 C117 C122 -122.0(17) . . . . ? C120 Ir6 C117 C122 -160.7(15) . . . . ? C119 Ir6 C117 C122 155.4(15) . . . . ? C118 Ir6 C117 C122 116.2(17) . . . . ? Cl6 Ir6 C117 C122 2.6(13) . . . . ? C121 C117 C118 C119 -0.7(15) . . . . ? C122 C117 C118 C119 -178.6(11) . . . . ? Ir6 C117 C118 C119 -59.5(9) . . . . ? C121 C117 C118 C123 -177.3(14) . . . . ? C122 C117 C118 C123 5(2) . . . . ? Ir6 C117 C118 C123 123.9(16) . . . . ? C121 C117 C118 Ir6 58.8(10) . . . . ? C122 C117 C118 Ir6 -119.1(12) . . . . ? C111 Ir6 C118 C117 -76.0(19) . . . . ? N17 Ir6 C118 C117 165.8(8) . . . . ? C121 Ir6 C118 C117 -35.0(8) . . . . ? C120 Ir6 C118 C117 -78.1(9) . . . . ? C119 Ir6 C118 C117 -116.1(12) . . . . ? Cl6 Ir6 C118 C117 74.1(9) . . . . ? C111 Ir6 C118 C119 40.1(19) . . . . ? N17 Ir6 C118 C119 -78.1(8) . . . . ? C121 Ir6 C118 C119 81.1(8) . . . . ? C120 Ir6 C118 C119 38.0(8) . . . . ? C117 Ir6 C118 C119 116.1(12) . . . . ? Cl6 Ir6 C118 C119 -169.8(7) . . . . ? C111 Ir6 C118 C123 156.8(14) . . . . ? N17 Ir6 C118 C123 38.7(16) . . . . ? C121 Ir6 C118 C123 -162.1(17) . . . . ? C120 Ir6 C118 C123 154.8(17) . . . . ? C119 Ir6 C118 C123 116.8(19) . . . . ? C117 Ir6 C118 C123 -127(2) . . . . ? Cl6 Ir6 C118 C123 -53.0(16) . . . . ? C117 C118 C119 C120 -0.5(14) . . . . ? C123 C118 C119 C120 176.4(13) . . . . ? Ir6 C118 C119 C120 -61.1(8) . . . . ? C117 C118 C119 C124 -179.4(12) . . . . ? C123 C118 C119 C124 -2(2) . . . . ? Ir6 C118 C119 C124 120.0(13) . . . . ? C117 C118 C119 Ir6 60.6(9) . . . . ? C123 C118 C119 Ir6 -122.4(14) . . . . ? C111 Ir6 C119 C120 -47.2(9) . . . . ? N17 Ir6 C119 C120 -135.2(7) . . . . ? C121 Ir6 C119 C120 38.8(8) . . . . ? C117 Ir6 C119 C120 80.3(8) . . . . ? C118 Ir6 C119 C120 117.2(11) . . . . ? Cl6 Ir6 C119 C120 134.7(7) . . . . ? C111 Ir6 C119 C118 -164.4(8) . . . . ? N17 Ir6 C119 C118 107.6(8) . . . . ? C121 Ir6 C119 C118 -78.4(8) . . . . ? C120 Ir6 C119 C118 -117.2(11) . . . . ? C117 Ir6 C119 C118 -36.9(8) . . . . ? Cl6 Ir6 C119 C118 17.5(11) . . . . ? C111 Ir6 C119 C124 75.5(14) . . . . ? N17 Ir6 C119 C124 -12.5(13) . . . . ? C121 Ir6 C119 C124 161.5(15) . . . . ? C120 Ir6 C119 C124 122.7(16) . . . . ? C117 Ir6 C119 C124 -157.0(15) . . . . ? C118 Ir6 C119 C124 -120.1(17) . . . . ? Cl6 Ir6 C119 C124 -102.5(12) . . . . ? C118 C119 C120 C121 1.5(14) . . . . ? C124 C119 C120 C121 -179.7(12) . . . . ? Ir6 C119 C120 C121 -62.2(8) . . . . ? C118 C119 C120 C125 -175.6(12) . . . . ? C124 C119 C120 C125 3(2) . . . . ? Ir6 C119 C120 C125 120.7(12) . . . . ? C118 C119 C120 Ir6 63.7(9) . . . . ? C124 C119 C120 Ir6 -117.4(13) . . . . ? C111 Ir6 C120 C119 142.8(8) . . . . ? N17 Ir6 C120 C119 53.7(8) . . . . ? C121 Ir6 C120 C119 -115.5(11) . . . . ? C117 Ir6 C120 C119 -78.4(8) . . . . ? C118 Ir6 C120 C119 -37.9(7) . . . . ? Cl6 Ir6 C120 C119 -118.0(9) . . . . ? C111 Ir6 C120 C121 -101.7(8) . . . . ? N17 Ir6 C120 C121 169.2(7) . . . . ? C119 Ir6 C120 C121 115.5(11) . . . . ? C117 Ir6 C120 C121 37.1(8) . . . . ? C118 Ir6 C120 C121 77.6(9) . . . . ? Cl6 Ir6 C120 C121 -2.5(13) . . . . ? C111 Ir6 C120 C125 20.0(13) . . . . ? N17 Ir6 C120 C125 -69.2(13) . . . . ? C121 Ir6 C120 C125 121.7(16) . . . . ? C119 Ir6 C120 C125 -122.8(16) . . . . ? C117 Ir6 C120 C125 158.7(14) . . . . ? C118 Ir6 C120 C125 -160.7(14) . . . . ? Cl6 Ir6 C120 C125 119.2(11) . . . . ? C118 C117 C121 C120 1.7(16) . . . . ? C122 C117 C121 C120 179.4(12) . . . . ? Ir6 C117 C121 C120 63.5(9) . . . . ? C118 C117 C121 C126 174.0(12) . . . . ? C122 C117 C121 C126 -8(2) . . . . ? Ir6 C117 C121 C126 -124.2(13) . . . . ? C118 C117 C121 Ir6 -61.8(10) . . . . ? C122 C117 C121 Ir6 115.8(13) . . . . ? C119 C120 C121 C117 -1.9(14) . . . . ? C125 C120 C121 C117 175.1(11) . . . . ? Ir6 C120 C121 C117 -65.4(9) . . . . ? C119 C120 C121 C126 -173.8(12) . . . . ? C125 C120 C121 C126 3(2) . . . . ? Ir6 C120 C121 C126 122.7(13) . . . . ? C119 C120 C121 Ir6 63.5(8) . . . . ? C125 C120 C121 Ir6 -119.5(12) . . . . ? C111 Ir6 C121 C117 -158.9(8) . . . . ? N17 Ir6 C121 C117 92.8(14) . . . . ? C120 Ir6 C121 C117 116.7(12) . . . . ? C119 Ir6 C121 C117 77.7(9) . . . . ? C118 Ir6 C121 C117 34.4(8) . . . . ? Cl6 Ir6 C121 C117 -64.5(8) . . . . ? C111 Ir6 C121 C120 84.5(8) . . . . ? N17 Ir6 C121 C120 -23.9(16) . . . . ? C119 Ir6 C121 C120 -38.9(8) . . . . ? C117 Ir6 C121 C120 -116.7(12) . . . . ? C118 Ir6 C121 C120 -82.3(9) . . . . ? Cl6 Ir6 C121 C120 178.8(6) . . . . ? C111 Ir6 C121 C126 -38.8(15) . . . . ? N17 Ir6 C121 C126 -147.1(13) . . . . ? C120 Ir6 C121 C126 -123.2(18) . . . . ? C119 Ir6 C121 C126 -162.2(16) . . . . ? C117 Ir6 C121 C126 120.1(18) . . . . ? C118 Ir6 C121 C126 154.5(17) . . . . ? Cl6 Ir6 C121 C126 55.6(15) . . . . ? #============================================================================== #============================================================================== # 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 #==============================================================================