#------------------------------------------------------------------------------ #$Date: 2019-11-24 12:26:56 +0200 (Sun, 24 Nov 2019) $ #$Revision: 237902 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/08/89/4088956.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4088956 loop_ _publ_author_name 'Brown, Loren C.' 'Ressegue, Emily' 'Merola, Joseph S.' _publ_section_title ; Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes ; _journal_issue 24 _journal_name_full Organometallics _journal_page_first 4014 _journal_paper_doi 10.1021/acs.organomet.6b00580 _journal_volume 35 _journal_year 2016 _chemical_formula_moiety 'C22 H34 Cl4 Ir2' _chemical_formula_sum 'C22 H34 Cl4 Ir2' _chemical_formula_weight 824.69 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _audit_creation_date 2016-07-05 _audit_creation_method ; Olex2 1.2 (compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155) ; _cell_angle_alpha 90 _cell_angle_beta 109.567(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.6921(2) _cell_length_b 14.9787(4) _cell_length_c 11.3445(3) _cell_measurement_reflns_used 5670 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 32.1300 _cell_measurement_theta_min 3.8010 _cell_volume 1231.60(6) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.0061 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.920 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -47.00 41.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 57.0000 -60.0000 88 #__ type_ start__ end____ width___ exp.time_ 2 omega -52.00 38.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 57.0000 -150.0000 90 #__ type_ start__ end____ width___ exp.time_ 3 omega -94.00 -2.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 133.0000 -50.0000 92 #__ type_ start__ end____ width___ exp.time_ 4 omega -111.00 -85.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 178.0000 90.0000 26 #__ type_ start__ end____ width___ exp.time_ 5 omega -97.00 -63.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 -57.0000 150.0000 34 #__ type_ start__ end____ width___ exp.time_ 6 omega -100.00 -7.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -29.5315 -57.0000 60.0000 93 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos, Gemini ultra' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 0.0004537000 _diffrn_orient_matrix_UB_12 0.0471658000 _diffrn_orient_matrix_UB_13 -0.0060348000 _diffrn_orient_matrix_UB_21 0.0321988000 _diffrn_orient_matrix_UB_22 0.0043694000 _diffrn_orient_matrix_UB_23 0.0660668000 _diffrn_orient_matrix_UB_31 0.0923307000 _diffrn_orient_matrix_UB_32 -0.0017235000 _diffrn_orient_matrix_UB_33 0.0005072000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0470 _diffrn_reflns_av_unetI/netI 0.0530 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.920 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 12108 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.920 _diffrn_reflns_theta_full 30.500 _diffrn_reflns_theta_max 32.394 _diffrn_reflns_theta_min 3.812 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 11.235 _exptl_absorpt_correction_T_max 0.591 _exptl_absorpt_correction_T_min 0.189 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour orange _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 2.224 _exptl_crystal_description rod _exptl_crystal_F_000 776 _exptl_crystal_size_max 0.4545 _exptl_crystal_size_mid 0.0873 _exptl_crystal_size_min 0.0738 _refine_diff_density_max 1.101 _refine_diff_density_min -0.915 _refine_diff_density_rms 0.211 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 132 _refine_ls_number_reflns 4076 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.029 _refine_ls_R_factor_all 0.0383 _refine_ls_R_factor_gt 0.0294 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0001P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0451 _refine_ls_wR_factor_ref 0.0479 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3492 _reflns_number_total 4076 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file om6b00580_si_002.cif _cod_data_source_block 2a_lbx1-011abs _cod_original_cell_volume 1231.60(7) _cod_database_code 4088956 _chemical_oxdiff_formula 'C22 H34 Cl4 Ir2' _chemical_oxdiff_usercomment ERI19 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Others Fixed Uiso: H6A(0.03) H6B(0.03) H6C(0.03) H7A(0.035) H7B(0.035) H7C(0.035) H8A(0.039) H8B(0.039) H8C(0.039) H9A(0.034) H9B(0.034) H9C(0.034) H10A(0.017) H10B(0.017) H11A(0.033) H11B(0.033) H11C(0.033) Fixed X: H6A(0.5566) H6B(0.4044) H6C(0.535) H7A(0.4012) H7B(0.1845) H7C(0.3) H8A(0.0641) H8B(-0.1122) H8C(-0.0434) H9A(-0.0295) H9B(-0.1139) H9C(0.068) H10A(0.4135) H10B(0.2768) H11A(0.1603) H11B(0.175) H11C(0.0229) Fixed Y: H6A(0.4518) H6B(0.4066) H6C(0.3455) H7A(0.2325) H7B(0.2122) H7C(0.2082) H8A(0.2622) H8B(0.2956) H8C(0.3504) H9A(0.505) H9B(0.5425) H9C(0.5867) H10A(0.5857) H10B(0.6256) H11A(0.5669) H11B(0.6693) H11C(0.6059) Fixed Z: H6A(0.1335) H6B(0.016) H6C(0.1258) H7A(0.1853) H7B(0.1371) H7C(0.2834) H8A(0.3658) H8B(0.2532) H8C(0.3817) H9A(0.3709) H9B(0.2312) H9C(0.327) H10A(0.1621) H10B(0.2288) H11A(-0.027) H11B(0.0155) H11C(0.0396) ; _shelx_res_file ; lbx1-011abs.res created by SHELXL-2014/7 TITL lbx1-011abs_a.res in P2(1)/c REM Old TITL LBX1-011Abs in P21/c #14 REM SHELXT solution in P2(1)/c REM R1 0.041, Rweak 0.017, Alpha 0.016, Orientation as input REM Formula found by SHELXT: C13 Cl2 Ir CELL 0.71073 7.692071 14.97872 11.344505 90 109.5668 90 ZERR 2 0.000231 0.000397 0.000348 0 0.0033 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cl Ir UNIT 44 68 8 4 L.S. 10 PLAN 20 TEMP -173 BOND $H LIST 6 MORE -1 CONF fmap 2 acta 61 REM REM REM WGHT 0.000100 FVAR 0.31205 IR1 4 0.387958 0.421613 0.370672 11.00000 0.01010 0.01102 = 0.00941 0.00098 0.00348 0.00053 CL1 3 0.356981 0.471611 0.567745 11.00000 0.01216 0.01792 = 0.01143 0.00032 0.00545 -0.00314 CL2 3 0.600904 0.311582 0.487515 11.00000 0.02190 0.01715 = 0.01902 0.00393 0.00305 0.00751 C1 1 0.330666 0.407522 0.173672 11.00000 0.01510 0.01225 = 0.00918 0.00097 0.00044 0.00003 C2 1 0.248538 0.334638 0.216437 11.00000 0.01452 0.01492 = 0.01262 -0.00295 -0.00058 -0.00082 C3 1 0.119598 0.370391 0.273092 11.00000 0.01360 0.01695 = 0.01335 0.00060 0.00123 -0.00173 C4 1 0.117952 0.466063 0.258656 11.00000 0.00937 0.01549 = 0.01170 0.00396 0.00209 0.00215 C5 1 0.248819 0.490433 0.200453 11.00000 0.01174 0.01341 = 0.00740 -0.00101 -0.00163 -0.00048 C6 1 0.468669 0.402447 0.106419 11.00000 0.02247 0.02208 = 0.01954 -0.00146 0.01232 0.00474 AFIX 137 H6A 2 0.556625 0.451843 0.133533 11.00000 -1.50000 H6B 2 0.404375 0.406650 0.016028 11.00000 -1.50000 H6C 2 0.535026 0.345536 0.125829 11.00000 -1.50000 AFIX 0 C7 1 0.286785 0.238763 0.204545 11.00000 0.02877 0.01418 = 0.02330 -0.00101 0.00366 -0.00131 AFIX 137 H7A 2 0.401227 0.232533 0.185269 11.00000 -1.50000 H7B 2 0.184483 0.212162 0.137077 11.00000 -1.50000 H7C 2 0.299950 0.208158 0.283421 11.00000 -1.50000 AFIX 0 C8 1 -0.003783 0.314789 0.322791 11.00000 0.01819 0.03232 = 0.02599 0.00378 0.00572 -0.00745 AFIX 137 H8A 2 0.064077 0.262201 0.365799 11.00000 -1.50000 H8B 2 -0.112226 0.295622 0.253201 11.00000 -1.50000 H8C 2 -0.043441 0.350383 0.381696 11.00000 -1.50000 AFIX 0 C9 1 0.000376 0.530715 0.300604 11.00000 0.01531 0.03501 = 0.01720 -0.00221 0.00509 0.00457 AFIX 137 H9A 2 -0.029452 0.504986 0.370936 11.00000 -1.50000 H9B 2 -0.113916 0.542462 0.231176 11.00000 -1.50000 H9C 2 0.068027 0.586745 0.326982 11.00000 -1.50000 AFIX 0 C10 1 0.286368 0.582668 0.164871 11.00000 0.01325 0.01270 = 0.01409 0.00056 0.00043 -0.00095 AFIX 23 H10A 2 0.413500 0.585712 0.162082 11.00000 -1.20000 H10B 2 0.276813 0.625561 0.228815 11.00000 -1.20000 AFIX 0 C11 1 0.148705 0.608540 0.036671 11.00000 0.02183 0.02206 = 0.01776 0.00451 0.00059 -0.00430 AFIX 137 H11A 2 0.160289 0.566934 -0.026954 11.00000 -1.50000 H11B 2 0.175000 0.669337 0.015505 11.00000 -1.50000 H11C 2 0.022917 0.605871 0.039596 11.00000 -1.50000 AFIX 0 HKLF 4 REM lbx1-011abs_a.res in P2(1)/c REM R1 = 0.0294 for 3492 Fo > 4sig(Fo) and 0.0383 for all 4076 data REM 132 parameters refined using 0 restraints END WGHT 0.0000 0.0000 REM Highest difference peak 1.101, deepest hole -0.915, 1-sigma level 0.211 Q1 1 0.2816 0.4279 0.3764 11.00000 0.05 1.10 Q2 1 0.4825 0.4282 0.4380 11.00000 0.05 1.04 Q3 1 0.2906 0.4180 0.3061 11.00000 0.05 0.85 Q4 1 0.5233 0.3648 0.3318 11.00000 0.05 0.85 Q5 1 0.4665 0.4206 0.3304 11.00000 0.05 0.84 Q6 1 -0.1623 0.3462 0.3997 11.00000 0.05 0.81 Q7 1 0.1260 0.3191 0.3173 11.00000 0.05 0.78 Q8 1 0.5009 0.4183 0.3616 11.00000 0.05 0.78 Q9 1 0.6567 0.4384 0.1395 11.00000 0.05 0.77 Q10 1 0.5590 0.4921 0.1150 11.00000 0.05 0.77 Q11 1 0.2287 0.4792 0.2618 11.00000 0.05 0.76 Q12 1 0.2439 0.5006 0.3426 11.00000 0.05 0.75 Q13 1 0.0675 0.7408 0.0138 11.00000 0.05 0.75 Q14 1 0.4764 0.4950 0.2035 11.00000 0.05 0.73 Q15 1 -0.0917 0.6352 0.0945 11.00000 0.05 0.72 Q16 1 0.1802 0.5165 0.2632 11.00000 0.05 0.70 Q17 1 0.4732 0.5147 0.5249 11.00000 0.05 0.70 Q18 1 -0.1012 0.2192 0.3365 11.00000 0.05 0.70 Q19 1 0.5058 0.3431 0.2172 11.00000 0.05 0.70 Q20 1 0.4581 0.1543 0.3914 11.00000 0.05 0.69 ; _shelx_res_checksum 67610 _shelx_hkl_file ; 0 0 -2 176.67 11.79 0 0 -2 200.28 11.64 0 0 -3 1.65 2.29 0 0 -3 0.69 3.79 0 0 -4 3250.87 86.66 0 0 -4 3404.24 91.70 0 0 -5 7.79 5.14 0 0 -5 9.94 5.64 0 0 -6 291.29 24.74 0 0 -6 301.58 27.01 0 0 -7 11.98 7.27 0 0 -7 -4.18 5.86 0 0 -8 2588.37 100.26 0 0 -8 2529.10 95.12 0 0 -9 1.03 8.96 0 0 -9 5.81 5.61 0 0 -10 64.30 15.63 0 0 -10 51.68 14.95 0 0 -11 -3.39 7.68 0 0 -11 13.39 9.05 0 0 -12 1316.36 80.35 0 0 -12 1081.47 76.72 0 0 -13 8.88 8.55 0 0 -13 2.98 7.06 0 0 -14 339.91 46.46 0 0 -15 47.58 23.18 0 -1 -2 1704.65 44.86 0 1 -2 1638.43 46.69 0 -1 -2 1652.73 46.40 0 -1 -3 1913.76 56.55 0 1 -3 1946.58 52.57 0 -1 -3 1929.61 55.76 0 1 -3 1845.54 57.53 0 -1 -4 3.77 2.99 0 -1 -4 3.95 2.71 0 1 -4 1.08 3.05 0 1 -4 0.85 2.61 0 1 -5 1961.36 70.40 0 1 -5 1816.58 62.07 0 -1 -5 1792.32 65.42 0 -1 -5 1936.11 67.24 0 1 -6 812.00 41.53 0 -1 -6 847.18 45.30 0 -1 -6 785.02 43.45 0 1 -6 861.57 47.32 0 -1 -7 1252.51 61.15 0 1 -7 1329.98 59.22 0 1 -7 1349.68 65.45 0 -1 -7 1293.44 61.41 0 1 -8 241.39 25.98 0 -1 -8 223.03 26.61 0 1 -8 298.92 31.44 0 -1 -8 230.90 26.72 0 1 -9 524.60 41.53 0 -1 -9 558.25 44.97 0 -1 -9 522.19 42.79 0 1 -9 520.20 44.27 0 -1 -10 790.41 56.41 0 1 -10 728.98 52.36 0 1 -10 664.64 54.10 0 -1 -10 738.09 55.64 0 1 -11 1288.78 74.79 0 -1 -11 1438.27 82.95 0 -1 -11 1202.78 75.36 0 1 -11 1374.86 83.38 0 1 -12 16.27 11.12 0 -1 -12 -0.70 9.98 0 1 -12 21.14 12.66 0 -1 -12 22.42 11.84 0 -1 -13 43.40 16.24 0 1 -13 64.96 21.11 0 1 -13 43.07 15.95 0 -1 -13 56.16 18.36 0 1 -14 80.21 22.22 0 -1 -14 94.40 24.82 0 -1 -14 150.76 30.51 0 1 -15 1082.44 87.97 0 -2 -2 80.31 9.23 0 2 -2 72.26 8.72 0 -2 -2 67.35 7.35 0 -2 2 90.04 8.08 0 -2 -3 1230.70 45.31 0 2 -3 1238.40 45.37 0 -2 -3 1211.44 41.99 0 2 -4 2674.84 82.37 0 -2 -4 2824.20 82.92 0 -2 -4 2671.12 78.52 0 2 -4 2831.18 74.42 0 2 -5 2406.75 72.44 0 -2 -5 2352.15 50.00 0 2 -5 2348.55 80.75 0 -2 -5 2468.32 77.81 0 2 -5 2420.21 83.12 0 2 -5 2414.08 53.06 0 -2 -5 2400.48 80.44 0 2 -6 114.31 17.57 0 -2 -6 85.09 14.96 0 2 -6 92.82 13.32 0 -2 -6 110.81 15.58 0 2 6 85.36 6.01 0 -2 -7 1056.32 56.57 0 2 -7 977.71 49.53 0 -2 -7 1050.53 54.68 0 2 -7 1065.30 58.34 0 -2 -8 343.90 33.49 0 2 -8 322.65 33.91 0 -2 -8 309.23 31.11 0 2 -8 362.95 31.43 0 -2 -9 1674.61 80.81 0 -2 -9 1606.10 81.09 0 2 -9 1646.53 75.55 0 2 -9 1664.36 84.37 0 -2 -10 159.47 26.70 0 2 -10 182.90 25.67 0 -2 -10 249.60 33.24 0 2 -10 217.11 31.75 0 -2 -11 520.55 49.36 0 2 -11 563.56 47.91 0 -2 -11 552.20 50.33 0 2 -11 612.41 55.15 0 2 -12 443.34 49.18 0 -2 -12 462.52 48.40 0 -2 -12 435.40 47.34 0 2 -12 409.64 42.70 0 -2 -13 602.77 58.33 0 2 -13 594.19 60.43 0 2 -13 520.79 50.83 0 -2 -13 579.50 56.88 0 -2 -14 86.19 24.42 0 2 -14 98.30 25.87 0 -2 -14 70.37 22.14 0 2 -15 46.97 19.97 0 2 -16 317.48 49.49 0 -3 0 5.68 2.73 0 -3 -1 43.56 6.68 0 -3 1 36.59 5.05 0 -3 -2 5662.31 127.72 0 -3 -2 5728.89 120.20 0 3 -2 5482.44 125.56 0 -3 2 5761.28 119.78 0 3 -3 134.00 14.49 0 -3 -3 114.57 11.71 0 -3 3 119.38 11.59 0 -3 -3 105.88 12.96 0 3 -4 306.51 24.26 0 -3 4 308.79 21.15 0 -3 -4 304.07 24.58 0 -3 -4 350.40 23.12 0 -3 -5 460.11 33.24 0 3 -5 390.42 30.30 0 -3 -5 471.40 29.82 0 3 -5 436.48 26.35 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3 -7 58.57 15.03 1 -3 -7 53.33 11.56 1 -3 -7 62.61 7.77 1 3 -6 3155.42 106.81 1 3 -6 3029.01 83.71 1 -3 -6 2996.49 99.19 1 3 -6 3072.18 74.19 1 -3 -6 3155.66 101.68 1 3 -5 753.69 44.15 1 -3 -5 817.85 43.19 1 -3 -5 773.87 41.11 1 3 -5 769.38 31.21 1 3 -5 832.54 31.19 1 -3 -4 731.77 36.68 1 3 -4 752.42 30.63 1 -3 -4 654.19 34.17 1 3 -4 674.27 36.79 1 -3 -3 598.95 29.12 1 3 -3 570.05 27.61 1 -3 -3 566.07 29.62 1 3 -3 602.26 31.15 -1 -3 3 641.00 21.75 1 3 -2 2780.55 75.04 1 -3 -2 2931.85 75.85 1 3 -2 3016.78 80.28 -1 -3 2 3121.09 62.60 1 -3 -2 2976.58 77.11 1 -3 -1 23.09 4.81 1 3 -1 16.59 3.58 -1 -3 1 6.20 2.46 -1 -3 0 3846.43 87.30 1 -3 0 3897.23 89.61 -1 -3 -1 -0.38 2.99 1 -3 1 3.26 2.23 -1 -3 -2 3155.93 68.73 1 -3 2 2942.01 81.85 -1 -3 -2 3154.89 86.52 1 3 2 3106.80 82.26 1 -3 3 87.63 11.71 -1 3 -3 127.31 14.29 -1 -3 -3 108.14 10.32 1 3 3 116.43 11.86 -1 -3 -3 119.89 14.84 -1 -3 -4 3830.32 94.31 1 -3 4 3660.23 104.07 -1 3 -4 3779.48 105.57 1 3 4 3612.61 88.94 -1 -3 -4 3648.33 108.15 -1 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-3 2179.41 94.63 -4 -7 3 2148.56 62.81 4 7 -3 2120.39 80.22 4 -7 -3 2040.05 83.11 4 7 -2 997.84 61.68 -4 -7 2 917.67 41.61 4 7 -2 987.18 45.55 4 -7 -2 959.27 53.95 4 7 -1 676.02 50.31 -4 -7 1 684.12 38.79 4 7 -1 653.67 30.39 4 -7 -1 671.78 45.32 4 7 0 134.39 23.72 4 -7 0 165.92 22.48 -4 -7 0 157.37 19.86 4 7 0 98.22 7.54 4 -7 1 2006.65 88.35 4 7 1 2179.05 94.10 -4 -7 -1 2111.60 84.71 -4 -7 -2 161.95 24.21 4 7 2 158.90 24.37 4 -7 2 184.84 25.84 4 7 3 515.29 41.94 4 -7 3 534.58 45.69 -4 -7 -3 537.60 45.26 4 7 4 93.22 18.01 4 -7 4 121.68 24.20 -4 -7 -4 98.04 21.36 4 7 5 1586.35 74.35 4 -7 5 1460.61 84.07 -4 -7 -5 1500.44 85.55 -4 7 -5 1470.32 77.36 4 7 6 175.59 23.47 -4 -7 -6 81.69 20.26 -4 7 -6 170.91 27.00 -4 7 -7 714.84 59.45 -4 -7 -7 731.49 64.32 -4 7 -7 750.99 58.50 -4 7 -8 30.35 14.63 -4 -7 -8 29.72 19.33 -4 7 -8 34.49 11.90 -4 7 -9 553.23 56.44 -4 -7 -9 642.68 65.19 -4 7 -9 634.68 59.05 -4 -7 -10 10.76 8.43 -4 7 -10 24.77 13.15 -4 7 -10 -37.91 16.43 -4 -7 -11 233.60 43.73 -4 7 -11 304.20 45.44 4 8 -15 23.38 17.65 4 -8 -15 29.88 18.22 4 8 -14 306.83 50.72 4 -8 -14 287.27 47.34 4 -8 -14 250.25 41.53 4 -8 -13 832.54 77.65 4 8 -13 864.64 82.50 4 -8 -13 776.29 71.65 4 8 -12 376.73 52.06 4 -8 -12 334.62 46.31 4 -8 -12 322.25 44.52 4 8 -11 1.04 12.25 4 -8 -11 -1.35 12.90 4 -8 -11 3.55 11.10 4 -8 -10 72.92 19.61 4 8 -10 81.94 21.56 4 -8 -10 72.62 18.74 4 8 -9 545.61 43.36 4 -8 -9 449.84 47.05 4 -8 -9 563.23 52.02 4 8 -9 605.87 59.06 4 8 -8 1377.56 71.55 4 -8 -8 1091.20 71.71 4 -8 -8 1118.16 71.80 4 8 -8 1127.23 78.19 4 8 -7 94.59 20.90 4 8 -7 68.65 16.32 4 -8 -7 101.33 20.17 4 -8 -7 148.57 25.05 4 8 -6 649.96 50.39 4 -8 -6 747.67 52.54 4 8 -6 704.34 55.02 4 -8 -6 692.81 52.29 4 8 -5 1251.47 71.71 4 8 -5 1141.04 68.03 4 -8 -5 1219.02 66.12 4 8 -4 878.35 60.27 4 8 -4 855.27 54.40 4 -8 -4 805.25 52.31 4 8 -3 591.93 50.13 -4 -8 3 543.00 25.67 -4 -8 3 579.66 29.83 4 8 -3 531.42 38.97 4 -8 -3 510.92 40.59 4 8 -2 69.52 12.53 4 -8 -2 55.79 14.08 4 8 -2 74.50 18.25 -4 -8 2 74.70 11.81 4 8 -1 1881.14 93.24 -4 -8 1 1795.91 69.42 4 8 -1 1826.11 62.46 4 -8 -1 1858.63 82.03 4 8 0 1797.08 90.52 -4 -8 0 1687.76 72.17 4 -8 0 1742.76 80.48 4 -8 1 416.40 38.62 -4 -8 -1 482.43 38.34 4 8 1 403.06 40.88 4 -8 2 233.04 29.57 4 8 2 219.49 29.71 -4 -8 -2 287.95 31.85 4 8 3 1241.27 70.98 4 -8 3 1262.11 73.58 -4 -8 -3 1416.24 76.17 4 8 4 904.44 58.87 4 -8 4 900.12 63.79 -4 -8 -4 855.44 61.20 4 8 5 214.48 27.87 4 -8 5 220.87 31.67 -4 -8 -5 245.77 33.80 -4 8 -5 261.21 32.65 4 8 6 8.54 7.06 4 -8 6 7.10 7.70 -4 -8 -6 19.28 14.12 -4 8 -6 13.47 11.00 -4 8 -7 307.62 38.72 -4 -8 -7 217.61 35.28 -4 8 -7 307.63 38.02 -4 -8 -8 993.89 79.24 -4 8 -8 812.18 66.85 -4 8 -8 898.04 69.20 -4 8 -9 252.24 38.19 -4 -8 -9 213.08 37.99 -4 8 -9 233.29 36.23 -4 8 -10 15.44 11.93 -4 -8 -10 13.18 12.09 -4 8 -10 26.07 14.71 -4 8 -11 161.65 33.87 -4 -8 -11 115.30 29.22 4 -9 -15 70.57 21.89 4 -9 -14 403.42 53.15 4 -9 -14 422.99 58.37 4 9 -14 488.25 65.52 4 -9 -13 6.19 9.65 4 9 -13 -0.88 13.90 4 -9 -13 7.91 11.86 4 -9 -12 610.87 62.23 4 -9 -12 413.42 53.77 4 9 -12 641.95 70.12 4 9 -11 87.00 24.93 4 -9 -11 65.50 18.77 4 -9 -11 72.54 22.58 4 -9 -10 908.57 70.62 4 -9 -10 761.88 65.79 4 9 -10 813.32 73.54 4 9 -9 23.51 14.61 4 9 -9 8.96 7.80 4 -9 -9 12.11 10.11 4 -9 -9 7.00 9.18 4 9 -8 440.33 41.69 4 -9 -8 406.39 43.53 4 -9 -8 410.04 43.33 4 9 -8 418.51 47.90 4 9 -7 308.46 35.61 4 9 -7 193.45 31.57 4 -9 -7 184.66 27.60 4 -9 -7 226.01 31.82 4 9 -6 2724.83 114.46 4 -9 -6 2481.10 108.37 4 9 -6 2642.70 117.48 4 -9 -6 2329.34 103.09 4 -9 -5 -1.26 5.68 4 9 -5 2.54 4.14 4 9 -5 5.17 5.96 4 9 -4 94.62 19.25 4 -9 -4 85.55 17.53 4 9 -4 90.32 20.55 4 9 -3 59.73 14.26 4 -9 -3 68.93 15.14 4 9 -3 67.43 19.43 -4 -9 3 55.31 8.40 4 9 -2 1530.32 92.83 -4 -9 2 2288.97 75.46 4 9 -2 2234.38 84.02 4 -9 -2 2191.41 91.56 4 9 -1 50.39 17.08 4 -9 -1 123.83 20.53 -4 -9 1 146.35 18.85 4 9 -1 118.01 15.43 4 9 0 314.04 39.00 -4 -9 0 385.94 32.75 4 -9 0 332.80 34.49 4 -9 1 285.16 32.98 4 9 1 192.20 30.56 -4 -9 -1 207.12 26.00 4 -9 2 2468.88 106.99 4 9 2 2411.14 110.31 -4 -9 -2 2864.54 109.70 4 9 3 34.52 13.46 4 -9 3 7.47 9.51 -4 -9 -3 27.49 11.71 4 9 4 763.96 56.56 4 -9 4 774.04 59.88 -4 -9 -4 831.29 62.13 4 9 5 84.73 18.57 4 -9 5 88.23 22.49 -4 -9 -5 73.47 20.56 -4 9 -5 122.43 23.84 4 9 6 1225.27 69.37 4 -9 6 1220.78 81.35 -4 -9 -6 1146.22 80.75 -4 9 -6 1117.51 73.10 -4 -9 -7 45.99 16.06 -4 9 -7 96.42 24.29 -4 9 -8 -8.42 11.45 -4 -9 -8 33.28 17.10 -4 9 -8 18.88 10.24 -4 9 -9 61.51 19.32 -4 -9 -9 74.15 21.60 -4 9 -9 81.25 22.58 -4 -9 -10 993.22 86.96 -4 9 -10 1021.66 81.72 -4 9 -10 1182.74 87.78 -4 9 -11 47.36 21.56 -4 9 -11 46.79 13.85 4 -10 -14 48.21 21.49 4 -10 -14 39.92 21.86 4 10 -14 34.65 19.60 4 -10 -13 1036.58 84.57 4 -10 -13 1098.95 92.85 4 10 -13 1007.61 93.13 4 10 -12 1.51 8.70 4 -10 -12 26.13 14.07 4 -10 -12 11.27 12.62 4 10 -11 0.06 12.11 4 -10 -11 5.43 8.71 4 -10 -11 14.71 11.98 4 -10 -10 12.00 13.79 4 10 -10 7.70 9.91 4 -10 -10 13.65 12.27 4 10 -9 1517.87 81.27 4 -10 -9 1237.99 82.94 4 -10 -9 1383.82 88.09 4 10 -9 1382.85 96.10 4 -10 -8 119.04 24.74 4 10 -8 110.15 25.32 4 10 -8 100.39 21.51 4 -10 -8 82.47 20.43 4 10 -7 153.96 29.06 4 10 -7 187.04 29.70 4 -10 -7 104.97 22.31 4 -10 -7 153.76 27.06 4 10 -6 167.23 28.60 4 10 -6 185.54 29.76 4 -10 -6 164.59 26.62 4 10 -5 1419.35 88.52 4 10 -5 2045.70 99.40 4 -10 -5 1952.81 92.27 4 -10 -4 4.79 7.61 4 10 -4 -5.17 7.12 4 10 -4 1.26 6.57 4 10 -3 899.72 70.75 4 10 -3 972.06 60.39 4 -10 -3 858.99 57.69 4 -10 -2 22.01 11.26 4 10 -2 34.54 17.13 -4 -10 2 25.92 8.34 4 10 -1 2134.00 113.61 -4 -10 1 2147.03 81.17 4 -10 -1 1923.72 90.08 4 10 0 139.73 29.29 4 -10 0 148.07 24.42 -4 -10 0 123.41 19.33 4 -10 1 379.61 38.54 4 10 1 369.99 43.76 -4 -10 -1 473.47 40.01 4 10 2 35.45 14.78 -4 -10 -2 24.25 10.64 4 -10 2 43.75 13.10 4 10 3 2623.44 118.34 4 -10 3 2874.72 120.54 -4 -10 -3 2733.57 116.03 4 10 4 99.76 20.60 4 -10 4 90.87 22.04 -4 -10 -4 73.23 19.80 4 10 5 366.02 39.62 4 -10 5 311.53 40.06 -4 -10 -5 355.57 42.51 -4 10 -5 324.63 38.97 4 10 6 -3.09 6.64 -4 -10 -6 9.72 7.28 4 -10 6 0.38 7.07 -4 10 -6 3.00 9.02 4 -10 7 404.61 47.93 -4 -10 -7 395.63 49.61 -4 10 -7 407.88 46.46 -4 10 -8 78.68 22.26 -4 -10 -8 91.97 22.81 -4 10 -8 75.74 20.54 -4 10 -9 508.84 55.78 -4 -10 -9 486.45 59.12 -4 10 -9 478.87 54.76 -4 10 -10 -1.61 9.69 -4 -10 -10 18.10 13.87 -4 10 -10 0.42 12.35 -4 10 -11 447.13 55.65 -4 10 -11 244.26 43.17 -4 10 -11 404.82 55.22 4 -11 -14 289.61 51.09 4 -11 -14 375.95 52.15 4 -11 -13 -39.10 17.73 4 11 -13 11.10 8.87 4 -11 -13 13.77 13.21 4 -11 -12 391.01 49.91 4 11 -12 327.06 51.97 4 -11 -12 342.69 50.06 4 11 -11 430.29 57.68 4 -11 -11 436.06 52.10 4 -11 -11 431.24 53.87 4 11 -10 254.16 42.29 4 -11 -10 308.82 42.37 4 -11 -10 217.86 36.76 4 11 -9 159.51 33.51 4 11 -9 164.99 27.10 4 -11 -9 101.08 23.86 4 -11 -9 139.14 27.70 4 11 -8 157.15 32.46 4 11 -8 157.63 28.28 4 -11 -8 171.27 30.03 4 11 -7 1602.08 91.98 4 11 -7 1352.96 91.98 4 -11 -7 1300.19 82.18 4 11 -6 843.01 68.06 4 11 -6 930.19 71.50 4 -11 -6 974.50 67.08 4 -11 -5 28.96 13.71 4 11 -5 4.66 7.54 4 11 -5 17.49 10.47 4 -11 -4 65.22 17.39 4 11 -4 75.70 23.23 4 11 -3 665.01 65.51 4 -11 -3 738.21 54.36 4 11 -2 1679.29 108.43 -4 -11 2 1902.93 68.74 -4 -11 2 1887.40 73.65 4 -11 -2 1766.93 87.64 4 11 -1 392.55 52.44 -4 -11 1 426.76 34.57 4 -11 -1 385.65 39.26 4 11 0 443.71 52.32 -4 -11 0 290.56 30.58 4 -11 0 313.53 35.08 4 -11 1 813.21 59.14 4 11 1 705.25 65.19 -4 -11 -1 792.26 53.61 4 -11 2 1038.50 68.86 4 11 2 965.52 74.49 -4 -11 -2 981.54 63.56 4 -11 3 142.40 26.56 4 11 3 207.38 33.19 -4 -11 -3 131.19 23.93 4 11 4 134.27 26.43 4 -11 4 114.74 24.95 -4 -11 -4 123.68 24.23 4 -11 5 261.15 37.25 4 11 5 206.35 31.02 -4 -11 -5 218.04 34.45 -4 11 -5 258.95 35.47 4 11 6 802.97 61.04 4 -11 6 872.29 70.17 -4 -11 -6 817.28 69.35 -4 11 -6 752.41 62.94 4 -11 7 281.67 41.89 -4 -11 -7 266.50 40.65 -4 11 -7 282.36 39.60 -4 -11 -8 17.60 8.39 -4 11 -8 45.50 18.19 -4 11 -9 399.24 49.66 -4 -11 -9 394.08 52.93 -4 11 -9 389.66 51.31 -4 11 -10 278.55 42.53 -4 11 -10 355.18 50.00 4 -12 -14 215.60 40.84 4 -12 -14 157.57 37.14 4 12 -13 189.38 40.90 4 -12 -13 187.17 37.05 4 -12 -13 160.05 36.67 4 -12 -12 626.00 69.25 4 12 -12 709.56 78.15 4 -12 -12 631.21 65.63 4 12 -11 8.01 9.38 4 -12 -11 11.79 12.01 4 -12 -11 -10.50 11.23 4 12 -10 309.77 47.77 4 -12 -10 233.79 39.59 4 -12 -10 364.14 46.09 4 12 -9 87.03 25.52 4 12 -9 84.23 20.99 4 -12 -9 98.84 23.92 4 12 -8 1203.30 80.77 4 -12 -8 1010.74 76.47 4 12 -8 1105.68 85.84 4 12 -7 12.54 11.82 4 12 -7 24.57 12.93 4 -12 -7 35.17 15.06 4 12 -6 675.54 64.68 4 12 -6 522.99 55.03 4 -12 -6 502.49 49.62 4 -12 -5 143.33 26.10 4 12 -5 226.81 38.32 4 12 -4 1366.78 99.63 4 -12 -4 1370.31 80.00 4 12 -4 1375.84 79.84 4 12 -3 333.01 51.03 4 -12 -3 273.87 34.19 4 -12 -2 218.97 29.73 4 12 -2 203.67 41.18 4 12 -1 542.45 65.61 -4 -12 1 680.16 45.68 4 -12 -1 601.50 50.60 4 12 0 814.42 77.16 -4 -12 0 923.46 56.96 4 -12 0 921.18 63.99 4 12 1 8.14 7.45 4 -12 1 21.86 13.28 -4 -12 -1 37.42 13.34 4 12 2 248.37 38.28 4 -12 2 155.94 26.70 -4 -12 -2 221.98 30.26 4 12 3 88.11 23.56 4 -12 3 167.56 29.22 -4 -12 -3 192.69 30.10 4 12 4 1880.62 104.29 4 -12 4 1907.08 103.46 -4 -12 -4 1846.25 101.23 4 12 5 26.24 12.25 4 -12 5 14.35 10.34 -4 -12 -5 30.71 14.37 -4 12 -5 38.20 16.38 4 -12 6 -1.44 8.46 -4 -12 -6 -4.09 8.06 -4 12 -6 4.94 8.34 4 -12 7 103.45 26.06 -4 -12 -7 117.63 28.19 -4 12 -7 132.31 28.64 -4 -12 -8 1323.17 97.87 -4 12 -8 1163.49 88.11 -4 12 -9 -0.93 7.96 -4 -12 -9 22.64 18.65 -4 12 -9 -15.06 16.62 -4 12 -10 -0.58 10.38 4 13 -13 120.48 35.45 4 -13 -13 72.73 23.56 4 -13 -13 59.99 23.88 4 13 -12 8.66 13.87 4 -13 -12 25.20 17.39 4 -13 -11 1322.05 100.47 4 13 -11 1303.23 105.39 4 13 -10 83.76 27.51 4 -13 -10 97.36 26.96 4 13 -9 25.75 16.73 4 13 -9 -8.69 9.78 4 -13 -9 18.94 14.53 4 13 -8 26.46 16.38 4 13 -8 39.03 15.84 4 -13 -8 47.06 18.64 4 13 -7 1127.12 85.29 4 13 -7 1469.68 99.38 4 -13 -7 1397.33 89.98 4 -13 -6 29.35 8.54 4 13 -6 15.64 13.24 4 13 -6 20.23 15.17 4 -13 -5 187.44 31.11 4 13 -5 224.71 40.48 4 13 -5 220.76 33.80 4 -13 -4 75.82 19.15 4 13 -4 62.01 20.96 4 13 -3 1884.80 131.93 4 -13 -3 2089.43 102.81 4 -13 -2 7.14 7.94 4 13 -2 8.70 13.31 4 13 -1 182.64 42.44 4 -13 -1 164.78 27.32 -4 -13 1 198.53 25.62 -4 -13 1 189.69 22.67 4 13 0 8.68 13.32 -4 -13 0 19.52 9.15 4 -13 0 17.29 11.53 4 13 1 1024.94 87.21 -4 -13 -1 910.92 61.22 4 -13 1 931.54 67.71 4 13 2 26.40 13.07 -4 -13 -2 25.51 11.14 4 -13 2 39.57 15.71 4 13 3 1008.78 82.93 4 -13 3 919.30 70.43 -4 -13 -3 905.05 67.28 4 13 4 8.31 11.62 4 -13 4 10.81 6.71 -4 -13 -4 -11.06 9.90 4 13 5 872.91 71.11 4 -13 5 868.60 71.36 -4 -13 -5 794.93 68.62 -4 13 -5 824.68 66.86 4 -13 6 14.77 12.16 -4 -13 -6 34.08 16.55 -4 13 -6 12.99 13.28 4 -13 7 355.37 46.97 -4 -13 -7 365.63 49.87 -4 13 -7 322.33 45.39 -4 -13 -8 61.83 25.46 -4 13 -8 20.59 16.55 -4 13 -9 511.87 57.15 -4 13 -9 506.45 60.15 4 -14 -12 549.54 67.05 4 14 -12 515.82 68.20 4 14 -11 8.84 14.14 4 -14 -11 -5.17 10.65 4 14 -10 291.44 48.99 4 -14 -10 211.83 38.89 4 14 -9 518.16 55.48 4 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747.27 74.92 -4 14 -8 715.17 70.58 4 15 -11 127.30 32.58 4 -15 -11 118.60 30.17 4 -15 -10 483.04 60.20 4 15 -10 666.31 74.68 4 15 -9 53.05 19.53 4 15 -9 30.05 17.26 4 -15 -9 47.29 17.42 4 15 -8 216.60 41.84 4 15 -8 285.70 44.47 4 -15 -8 190.11 35.39 4 15 -7 525.88 61.70 4 -15 -7 427.55 52.77 4 15 -7 385.93 53.04 4 15 -6 856.60 82.58 4 -15 -6 847.08 72.18 4 -15 -5 54.09 20.68 4 15 -5 3.45 11.72 4 -15 -4 219.69 35.00 4 15 -4 226.06 47.48 4 -15 -3 213.89 33.14 4 15 -3 146.11 44.10 4 15 -2 780.52 102.13 4 -15 -2 1161.76 78.70 4 15 -1 38.18 25.93 4 -15 -1 32.04 13.98 4 15 0 145.45 38.12 4 -15 0 155.59 29.66 4 15 1 131.18 35.78 4 -15 1 158.51 29.65 -4 -15 -1 171.71 28.60 4 -15 2 804.08 67.78 4 15 2 1004.75 90.67 -4 -15 -2 904.54 67.89 4 15 3 155.58 34.98 4 -15 3 132.26 27.39 -4 -15 -3 113.72 25.40 4 15 4 11.49 13.34 4 -15 4 -12.82 12.63 -4 -15 -4 2.84 8.75 4 15 5 128.48 28.57 -4 15 -5 108.64 28.18 -4 -15 -5 84.79 23.31 4 -15 5 152.14 30.56 4 -15 6 991.00 81.94 -4 15 -6 1233.65 89.72 -4 -15 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-6 17.06 21.95 9 -10 -6 14.87 15.95 9 -10 -5 506.25 58.68 9 10 -5 438.22 61.84 9 -10 -5 556.58 68.85 9 10 -4 12.51 17.02 9 -10 -4 -3.36 7.84 9 -10 -4 -0.93 12.30 9 -10 -3 443.44 56.42 9 10 -3 334.88 55.20 9 -10 -3 446.72 60.49 9 10 -2 33.02 23.21 9 -10 -2 6.16 9.69 9 -10 -2 28.05 15.07 9 10 -1 534.32 67.70 9 -10 -1 688.20 71.43 9 -10 -1 570.94 68.56 9 10 0 41.45 22.21 9 -10 0 62.95 23.14 9 -10 0 97.59 28.32 9 10 1 327.49 51.28 9 -10 1 392.48 56.96 9 -10 1 353.54 52.66 9 10 2 13.83 11.28 9 11 -10 597.57 70.70 9 11 -9 210.51 42.44 9 -11 -9 229.25 43.84 9 11 -8 42.47 22.47 9 -11 -8 -7.33 10.91 9 -11 -7 332.64 49.08 9 11 -7 374.42 58.00 9 -11 -7 370.43 57.66 9 -11 -6 724.72 72.82 9 11 -6 759.25 83.94 9 -11 -6 750.78 82.39 9 11 -5 66.43 28.04 9 -11 -5 31.95 15.54 9 -11 -5 53.15 22.47 9 11 -4 -0.96 10.58 9 -11 -4 12.12 10.63 9 -11 -4 6.32 14.39 9 11 -3 110.00 33.40 9 -11 -3 113.64 29.83 9 -11 -3 75.56 24.80 9 -11 -2 603.57 68.57 9 11 -2 692.26 80.59 9 -11 -2 478.39 65.57 9 11 -1 258.74 48.72 9 -11 -1 378.56 54.42 9 -11 -1 246.31 46.29 9 11 0 37.46 23.60 9 -11 0 18.61 8.51 9 -11 0 -3.57 15.25 9 11 1 157.01 37.57 9 -11 1 198.58 39.50 9 -12 -7 90.21 26.93 9 12 -7 92.20 29.51 9 -12 -6 -5.22 8.29 9 12 -6 23.18 20.98 9 -12 -6 3.92 12.24 9 12 -5 109.64 36.76 9 -12 -5 118.48 29.05 9 -12 -5 80.96 29.04 9 -12 -4 611.75 68.46 9 12 -4 435.49 66.73 9 -12 -4 487.59 68.45 9 12 -3 127.52 39.84 9 -12 -3 98.40 27.72 9 -12 -3 55.68 25.96 9 12 -2 13.52 14.37 9 -12 -2 3.71 12.35 9 -12 -2 -5.62 11.40 9 -12 -1 209.96 41.16 9 -12 -1 195.39 41.49 9 -12 0 934.55 92.78 9 -13 -8 -0.53 11.08 9 -13 -7 319.18 51.46 9 -13 -6 16.79 14.92 9 -13 -5 388.58 55.34 9 -13 -4 -4.05 12.48 9 -13 -3 598.09 70.47 10 0 -12 491.70 62.19 10 0 -12 506.71 58.73 10 0 -11 -3.59 9.63 10 0 -10 389.71 50.92 10 0 -9 24.63 15.37 10 0 -8 1596.52 107.19 10 0 -7 -26.64 13.19 10 0 -6 154.74 33.00 10 0 -5 -1.73 12.53 10 0 -4 657.73 68.04 10 0 -3 16.62 13.80 10 0 -2 264.18 43.33 10 0 -1 12.97 11.68 10 0 0 450.97 56.73 -10 0 -1 5.77 7.40 10 0 1 0.70 10.95 -10 0 -2 399.64 52.17 10 0 2 408.41 52.19 10 1 -13 734.14 81.02 10 -1 -12 26.17 16.55 10 1 -12 35.11 16.11 10 -1 -12 53.19 15.72 10 -1 -11 48.66 22.28 10 1 -11 5.62 9.62 10 -1 -11 22.66 11.49 10 1 -10 184.80 35.37 10 -1 -10 152.66 32.44 10 1 -9 1401.21 99.76 10 -1 -9 1277.18 95.33 10 1 -8 53.67 21.88 10 -1 -8 19.55 9.30 10 1 -7 85.76 24.67 10 -1 -7 85.83 25.79 10 1 -6 106.02 30.25 10 -1 -6 102.77 25.82 10 1 -5 716.40 71.60 10 -1 -5 786.21 74.31 10 1 -4 83.61 24.57 10 -1 -4 80.76 25.20 10 1 -3 39.64 17.47 10 -1 -3 19.47 13.20 10 1 -2 161.86 33.27 10 -1 -2 133.63 31.72 10 1 -1 479.03 58.49 10 -1 -1 588.26 64.19 10 1 0 83.72 25.28 10 -1 0 48.37 19.24 -10 1 -1 24.68 13.38 10 1 1 1.30 12.05 10 -1 1 11.39 11.58 -10 1 -2 247.75 42.14 -10 -1 -2 181.84 36.52 10 1 2 98.58 26.88 10 -1 2 106.78 27.98 10 -2 -12 179.97 37.46 10 2 -12 225.75 39.72 10 2 -11 542.08 60.20 10 -2 -11 532.36 62.54 10 -2 -11 531.97 61.07 10 -2 -10 59.75 23.17 10 2 -10 56.06 20.39 10 -2 -10 42.62 17.24 10 2 -9 235.91 41.09 10 -2 -9 98.45 25.32 10 2 -8 418.24 53.61 10 -2 -8 383.35 51.05 10 2 -7 671.38 69.50 10 -2 -7 585.10 64.55 10 2 -6 95.99 24.82 10 -2 -6 110.66 27.38 10 2 -5 7.50 10.87 10 -2 -5 -12.44 17.20 10 2 -4 300.96 47.19 10 -2 -4 367.27 50.78 10 2 -3 916.69 82.25 10 -2 -3 910.44 80.06 10 2 -2 19.92 14.71 10 -2 -2 14.32 9.58 10 2 -1 3.29 11.12 10 -2 -1 13.88 8.49 -10 2 0 71.93 20.97 10 2 0 73.99 22.43 10 -2 0 21.50 12.94 10 2 1 674.59 68.90 -10 2 -1 740.49 69.89 10 -2 1 720.05 71.51 -10 2 -2 231.15 40.19 10 2 2 218.26 38.49 10 3 -12 73.23 22.46 10 -3 -12 150.67 36.52 10 -3 -11 -4.57 12.03 10 3 -11 -5.29 9.87 10 3 -10 509.99 60.59 10 -3 -10 569.12 63.44 10 3 -9 22.04 15.80 10 -3 -9 43.01 16.12 10 -3 -9 42.86 18.53 10 3 -8 352.95 50.19 10 -3 -8 400.97 53.16 10 3 -7 14.34 14.20 10 -3 -7 3.84 11.29 10 3 -6 576.36 64.95 10 -3 -6 675.92 68.71 10 -3 -5 49.89 16.81 10 3 -5 19.33 11.61 10 -3 -5 21.04 9.89 10 3 -4 486.76 61.00 10 -3 -4 527.78 61.84 10 -3 -4 606.56 64.90 10 -3 -3 36.92 18.12 10 3 -3 78.52 27.02 10 -3 -3 55.86 21.41 10 3 -2 626.52 67.61 10 -3 -2 456.51 57.90 10 3 -1 -1.09 14.06 10 -3 -1 11.06 11.87 10 3 0 430.88 54.94 -10 3 0 446.02 52.92 -10 3 -1 30.27 18.32 10 3 1 29.62 15.32 10 3 2 622.09 65.73 -10 3 -2 555.71 63.99 10 4 -12 84.14 24.29 10 4 -11 467.16 57.63 10 -4 -11 386.35 54.61 10 -4 -10 21.70 15.02 10 4 -10 -8.65 12.44 10 4 -9 85.55 24.22 10 -4 -8 97.75 28.16 10 4 -8 67.83 23.84 10 4 -7 739.42 75.48 10 -4 -7 1033.92 87.83 10 -4 -6 50.30 21.28 10 4 -6 75.00 25.55 10 -4 -5 1.76 10.41 10 4 -5 -12.37 13.56 10 -4 -5 -3.87 12.28 10 -4 -4 58.26 18.59 10 4 -4 137.52 33.76 10 4 -3 905.25 83.78 10 -4 -3 1067.05 86.91 10 -4 -2 147.90 32.96 10 4 -2 133.02 32.18 10 -4 -1 -13.62 16.00 -10 4 1 -1.46 8.86 10 4 -1 -0.18 7.99 10 -4 0 105.49 25.70 -10 4 0 137.44 31.64 10 4 0 138.28 32.46 10 4 1 720.96 72.62 -10 4 -1 820.18 75.37 -10 4 -2 47.29 20.08 10 4 2 51.43 18.70 10 5 -12 14.01 9.02 10 -5 -11 137.84 31.61 10 5 -11 131.20 31.25 10 -5 -10 131.90 32.82 10 5 -10 198.91 39.27 10 -5 -10 116.30 29.73 10 -5 -9 291.36 47.13 10 5 -9 344.40 50.55 10 -5 -8 61.69 21.11 10 5 -8 23.49 11.36 10 -5 -7 21.39 15.66 10 5 -7 -1.63 8.04 10 -5 -6 252.16 43.14 10 5 -6 192.11 39.53 10 5 -5 1030.17 91.44 10 -5 -5 978.18 86.22 10 -5 -4 293.14 47.82 10 5 -4 271.75 47.74 10 -5 -3 23.18 18.55 10 5 -3 -8.29 8.05 10 -5 -2 242.21 41.35 10 5 -2 291.04 49.45 10 5 -1 554.70 68.11 -10 5 1 635.90 63.22 10 -5 -1 535.45 61.42 10 -5 0 227.91 39.46 -10 5 0 186.65 34.92 10 5 0 194.13 38.65 -10 5 -1 -12.37 13.78 10 5 1 -6.95 10.27 10 5 2 172.68 35.27 10 -6 -11 35.76 19.20 10 6 -11 5.64 10.53 10 -6 -10 133.49 33.24 10 6 -10 146.24 33.56 10 -6 -9 5.25 9.16 10 6 -9 15.64 15.61 10 6 -8 630.65 71.12 10 -6 -8 471.90 61.70 10 -6 -7 35.10 21.12 10 6 -7 27.70 15.66 10 -6 -6 409.31 58.20 10 6 -6 450.80 61.28 10 -6 -5 23.26 15.65 10 6 -5 18.00 17.80 10 6 -4 867.17 85.17 10 -6 -4 823.59 79.22 10 -6 -3 146.00 32.51 10 6 -3 75.47 27.89 10 -6 -2 301.23 47.83 -10 6 2 281.97 41.91 10 6 -2 318.51 50.36 10 -6 -2 320.71 46.46 10 -6 -1 28.92 17.42 -10 6 1 1.41 9.28 10 6 -1 6.16 14.70 10 6 0 524.38 64.75 -10 6 0 414.49 53.48 10 -6 0 510.81 60.25 -10 6 -1 72.51 24.19 10 6 1 69.84 23.58 10 6 2 491.51 60.89 10 7 -10 54.50 24.21 10 7 -9 900.53 85.65 10 -7 -9 771.25 79.98 10 -7 -8 193.49 39.96 10 7 -8 101.35 30.27 10 -7 -7 33.73 18.23 10 7 -7 63.69 24.93 10 -7 -6 164.76 37.04 10 7 -6 160.05 35.99 10 7 -5 965.73 90.77 10 -7 -5 1081.64 94.86 10 -7 -4 18.83 15.84 10 7 -4 10.71 15.63 10 -7 -3 12.36 11.30 10 7 -3 6.92 13.12 10 -7 -3 10.70 7.65 10 -7 -2 11.42 13.71 10 7 -2 57.84 22.76 10 -7 -2 28.56 18.48 10 7 -1 1042.17 93.56 10 -7 -1 1116.37 91.68 -10 7 1 1005.11 83.53 10 -7 -1 1117.99 93.37 10 -7 0 50.79 17.40 -10 7 0 33.52 18.42 10 7 0 21.22 14.00 10 8 -9 40.17 18.24 10 8 -8 286.75 49.36 10 8 -7 599.60 72.37 10 -8 -7 678.01 75.85 10 -8 -6 58.68 23.13 10 8 -6 52.37 22.14 10 -8 -5 81.99 26.83 10 8 -5 145.83 37.49 10 -8 -4 260.48 48.04 10 8 -4 199.97 41.44 10 -8 -3 338.54 53.02 10 8 -3 354.87 56.01 10 -8 -3 330.04 49.12 10 -8 -2 265.74 47.93 10 8 -2 244.36 47.78 10 -8 -2 278.61 46.23 10 -8 -1 56.89 23.58 10 8 -1 -10.40 8.29 10 -8 -1 44.32 21.18 10 -8 0 380.57 53.86 -10 8 0 405.59 55.19 10 -8 0 304.57 50.29 10 -9 -5 69.88 26.80 10 -9 -4 117.15 33.11 10 -9 -4 102.27 28.22 10 -9 -3 -1.46 10.64 10 -9 -3 27.70 16.59 10 -9 -2 386.52 58.61 10 -9 -2 550.34 65.20 10 -9 -1 109.20 29.01 10 -10 -4 48.29 24.61 10 -10 -3 814.40 80.18 10 -10 -2 71.04 27.21 10 -11 -5 224.91 42.10 10 -11 -4 24.71 15.33 11 0 -6 424.74 58.85 11 0 -5 -27.30 19.89 0 0 0 0.00 0.00 TITL LBX1-011Abs in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 7.692071 14.978720 11.344505 90.0000 109.5668 90.0000 ZERR 2.00 0.000231 0.000397 0.000348 0.0000 0.0033 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H Cl Ir UNIT 44.00 68.00 8.00 4.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 80054 _shelx_shelxl_version_number 2014/7 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn Ir1 Ir 0.38796(2) 0.42161(2) 0.37067(2) 0.01012(4) Uani 1 1 d . Cl1 Cl 0.35698(11) 0.47161(7) 0.56775(8) 0.01346(18) Uani 1 1 d . Cl2 Cl 0.60090(13) 0.31158(7) 0.48752(9) 0.0203(2) Uani 1 1 d . C1 C 0.3307(5) 0.4075(3) 0.1737(3) 0.0131(7) Uani 1 1 d . C2 C 0.2485(5) 0.3346(3) 0.2164(3) 0.0153(8) Uani 1 1 d . C3 C 0.1196(5) 0.3704(3) 0.2731(3) 0.0155(8) Uani 1 1 d . C4 C 0.1180(5) 0.4661(3) 0.2587(3) 0.0125(7) Uani 1 1 d . C5 C 0.2488(5) 0.4904(3) 0.2005(3) 0.0121(7) Uani 1 1 d . C6 C 0.4687(5) 0.4024(3) 0.1064(4) 0.0200(9) Uani 1 1 d . H6A H 0.5566 0.4518 0.1335 0.030 Uiso 1 1 calc GR H6B H 0.4044 0.4066 0.0160 0.030 Uiso 1 1 calc GR H6C H 0.5350 0.3455 0.1258 0.030 Uiso 1 1 calc GR C7 C 0.2868(6) 0.2388(3) 0.2045(4) 0.0234(9) Uani 1 1 d . H7A H 0.4012 0.2325 0.1853 0.035 Uiso 1 1 calc GR H7B H 0.1845 0.2122 0.1371 0.035 Uiso 1 1 calc GR H7C H 0.3000 0.2082 0.2834 0.035 Uiso 1 1 calc GR C8 C -0.0038(5) 0.3148(3) 0.3228(4) 0.0259(10) Uani 1 1 d . H8A H 0.0641 0.2622 0.3658 0.039 Uiso 1 1 calc GR H8B H -0.1122 0.2956 0.2532 0.039 Uiso 1 1 calc GR H8C H -0.0434 0.3504 0.3817 0.039 Uiso 1 1 calc GR C9 C 0.0004(5) 0.5307(3) 0.3006(4) 0.0226(9) Uani 1 1 d . H9A H -0.0295 0.5050 0.3709 0.034 Uiso 1 1 calc GR H9B H -0.1139 0.5425 0.2312 0.034 Uiso 1 1 calc GR H9C H 0.0680 0.5867 0.3270 0.034 Uiso 1 1 calc GR C10 C 0.2864(5) 0.5827(3) 0.1649(3) 0.0144(7) Uani 1 1 d . H10A H 0.4135 0.5857 0.1621 0.017 Uiso 1 1 calc R H10B H 0.2768 0.6256 0.2288 0.017 Uiso 1 1 calc R C11 C 0.1487(5) 0.6085(3) 0.0367(4) 0.0221(9) Uani 1 1 d . H11A H 0.1603 0.5669 -0.0270 0.033 Uiso 1 1 calc GR H11B H 0.1750 0.6693 0.0155 0.033 Uiso 1 1 calc GR H11C H 0.0229 0.6059 0.0396 0.033 Uiso 1 1 calc GR 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 0.01010(7) 0.01102(7) 0.00941(7) 0.00098(5) 0.00348(5) 0.00053(6) Cl1 0.0122(4) 0.0179(5) 0.0114(4) 0.0003(3) 0.0054(3) -0.0031(4) Cl2 0.0219(5) 0.0171(5) 0.0190(5) 0.0039(4) 0.0030(4) 0.0075(4) C1 0.0151(17) 0.012(2) 0.0092(17) 0.0010(13) 0.0004(14) 0.0000(15) C2 0.0145(17) 0.015(2) 0.0126(18) -0.0030(15) -0.0006(14) -0.0008(16) C3 0.0136(17) 0.017(2) 0.0133(18) 0.0006(15) 0.0012(14) -0.0017(16) C4 0.0094(16) 0.015(2) 0.0117(17) 0.0040(14) 0.0021(13) 0.0021(15) C5 0.0117(16) 0.013(2) 0.0074(16) -0.0010(14) -0.0016(13) -0.0005(15) C6 0.022(2) 0.022(2) 0.020(2) -0.0015(16) 0.0123(17) 0.0047(18) C7 0.029(2) 0.014(2) 0.023(2) -0.0010(17) 0.0037(18) -0.0013(18) C8 0.0182(19) 0.032(3) 0.026(2) 0.0038(19) 0.0057(17) -0.0074(19) C9 0.0153(19) 0.035(3) 0.017(2) -0.0022(18) 0.0051(16) 0.0046(19) C10 0.0132(16) 0.0127(19) 0.0141(18) 0.0006(15) 0.0004(14) -0.0010(15) C11 0.022(2) 0.022(2) 0.018(2) 0.0045(17) 0.0006(16) -0.0043(18) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 0 -1 -3 0.0295 0.0007 -0.9999 -2.5008 -0.0321 -0.1696 0.0005 0 -1 0 0.0361 0.0006 -0.9983 0.0006 -0.0471 -0.0043 0.0018 0 3 -3 0.0377 -0.0018 2.9935 -2.5032 0.1563 -0.1524 -0.0066 0 -3 3 0.0377 0.0018 -2.9935 2.5032 -0.1563 0.1524 0.0066 -1 0 1 0.3032 -1.0014 -0.0040 0.5012 -0.0037 0.0009 -0.0922 1 0 -1 0.1508 1.0014 0.0040 -0.5012 0.0037 -0.0009 0.0922 0 1 3 0.0443 -0.0007 0.9999 2.5008 0.0321 0.1696 -0.0005 0 5 -1 0.0475 -0.0032 4.9914 -0.5033 0.2385 -0.0115 -0.0092 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_3 Cl1 Ir1 Cl1 81.54(3) 3_666 Cl2 Ir1 Cl1 87.86(3) . Cl2 Ir1 Cl1 87.55(3) 3_666 C1 Ir1 Cl1 103.18(10) 3_666 C1 Ir1 Cl1 159.57(10) . C1 Ir1 Cl2 112.02(10) . C1 Ir1 C2 38.76(14) . C1 Ir1 C4 65.91(13) . C2 Ir1 Cl1 138.84(10) . C2 Ir1 Cl1 139.50(10) 3_666 C2 Ir1 Cl2 95.49(11) . C3 Ir1 Cl1 102.19(10) . C3 Ir1 Cl1 158.23(11) 3_666 C3 Ir1 Cl2 113.88(11) . C3 Ir1 C1 66.24(13) . C3 Ir1 C2 39.60(14) . C3 Ir1 C4 39.40(15) . C3 Ir1 C5 66.36(14) . C4 Ir1 Cl1 94.31(10) . C4 Ir1 Cl1 119.42(11) 3_666 C4 Ir1 Cl2 152.99(11) . C4 Ir1 C2 65.62(15) . C5 Ir1 Cl1 120.45(10) . C5 Ir1 Cl1 93.09(10) 3_666 C5 Ir1 Cl2 151.49(10) . C5 Ir1 C1 40.23(14) . C5 Ir1 C2 66.12(15) . C5 Ir1 C4 38.87(13) . Ir1 Cl1 Ir1 98.46(3) 3_666 C2 C1 Ir1 71.3(2) . C2 C1 C5 107.9(3) . C2 C1 C6 127.1(4) . C5 C1 Ir1 69.70(19) . C5 C1 C6 124.9(3) . C6 C1 Ir1 127.0(2) . C1 C2 Ir1 69.9(2) . C1 C2 C3 108.3(4) . C1 C2 C7 126.0(3) . C3 C2 Ir1 69.3(2) . C3 C2 C7 125.7(4) . C7 C2 Ir1 126.8(3) . C2 C3 Ir1 71.1(2) . C2 C3 C8 124.8(4) . C4 C3 Ir1 70.8(2) . C4 C3 C2 107.3(3) . C4 C3 C8 127.5(4) . C8 C3 Ir1 128.8(3) . C3 C4 Ir1 69.8(2) . C3 C4 C9 125.9(3) . C5 C4 Ir1 70.11(19) . C5 C4 C3 109.1(3) . C5 C4 C9 125.0(4) . C9 C4 Ir1 125.2(3) . C1 C5 Ir1 70.1(2) . C1 C5 C10 126.2(3) . C4 C5 Ir1 71.0(2) . C4 C5 C1 107.3(3) . C4 C5 C10 126.4(3) . C10 C5 Ir1 127.4(2) . C1 C6 H6A 109.5 . C1 C6 H6B 109.5 . C1 C6 H6C 109.5 . H6A C6 H6B 109.5 . H6A C6 H6C 109.5 . H6B C6 H6C 109.5 . C2 C7 H7A 109.5 . C2 C7 H7B 109.5 . C2 C7 H7C 109.5 . H7A C7 H7B 109.5 . H7A C7 H7C 109.5 . H7B C7 H7C 109.5 . C3 C8 H8A 109.5 . C3 C8 H8B 109.5 . C3 C8 H8C 109.5 . H8A C8 H8B 109.5 . H8A C8 H8C 109.5 . H8B C8 H8C 109.5 . C4 C9 H9A 109.5 . C4 C9 H9B 109.5 . C4 C9 H9C 109.5 . H9A C9 H9B 109.5 . H9A C9 H9C 109.5 . H9B C9 H9C 109.5 . C5 C10 H10A 109.5 . C5 C10 H10B 109.5 . C5 C10 C11 110.8(3) . H10A C10 H10B 108.1 . C11 C10 H10A 109.5 . C11 C10 H10B 109.5 . C10 C11 H11A 109.5 . C10 C11 H11B 109.5 . C10 C11 H11C 109.5 . H11A C11 H11B 109.5 . H11A C11 H11C 109.5 . H11B C11 H11C 109.5 . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ir1 Cl1 2.4439(9) . Ir1 Cl1 2.4448(9) 3_666 Ir1 Cl2 2.3879(10) . Ir1 C1 2.139(3) . Ir1 C2 2.157(4) . Ir1 C3 2.132(4) . Ir1 C4 2.146(3) . Ir1 C5 2.134(3) . Cl1 Ir1 2.4448(9) 3_666 C1 C2 1.425(5) . C1 C5 1.469(5) . C1 C6 1.502(5) . C2 C3 1.453(5) . C2 C7 1.481(6) . C3 C4 1.442(5) . C3 C8 1.507(5) . C4 C5 1.424(5) . C4 C9 1.507(5) . C5 C10 1.494(5) . C6 H6A 0.9800 . C6 H6B 0.9800 . C6 H6C 0.9800 . C7 H7A 0.9800 . C7 H7B 0.9800 . C7 H7C 0.9800 . C8 H8A 0.9800 . C8 H8B 0.9800 . C8 H8C 0.9800 . C9 H9A 0.9800 . C9 H9B 0.9800 . C9 H9C 0.9800 . C10 H10A 0.9900 . C10 H10B 0.9900 . C10 C11 1.535(5) . C11 H11A 0.9800 . C11 H11B 0.9800 . C11 H11C 0.9800 . 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 Ir1 C1 C2 C3 58.8(2) Ir1 C1 C2 C7 -121.6(4) Ir1 C1 C5 C4 -61.6(2) Ir1 C1 C5 C10 122.4(3) Ir1 C2 C3 C4 62.0(2) Ir1 C2 C3 C8 -124.6(4) Ir1 C3 C4 C5 59.3(2) Ir1 C3 C4 C9 -119.5(4) Ir1 C4 C5 C1 61.0(2) Ir1 C4 C5 C10 -123.0(3) Ir1 C5 C10 C11 -177.3(3) C1 C2 C3 Ir1 -59.2(2) C1 C2 C3 C4 2.7(4) C1 C2 C3 C8 176.1(3) C1 C5 C10 C11 91.2(4) C2 C1 C5 Ir1 61.4(2) C2 C1 C5 C4 -0.2(4) C2 C1 C5 C10 -176.2(3) C2 C3 C4 Ir1 -62.2(2) C2 C3 C4 C5 -2.9(4) C2 C3 C4 C9 178.4(3) C3 C4 C5 Ir1 -59.1(2) C3 C4 C5 C1 1.9(4) C3 C4 C5 C10 177.9(3) C4 C5 C10 C11 -84.1(4) C5 C1 C2 Ir1 -60.4(2) C5 C1 C2 C3 -1.6(4) C5 C1 C2 C7 178.0(3) C6 C1 C2 Ir1 122.8(4) C6 C1 C2 C3 -178.4(3) C6 C1 C2 C7 1.2(6) C6 C1 C5 Ir1 -121.7(3) C6 C1 C5 C4 176.7(3) C6 C1 C5 C10 0.7(5) C7 C2 C3 Ir1 121.2(4) C7 C2 C3 C4 -176.9(3) C7 C2 C3 C8 -3.5(6) C8 C3 C4 Ir1 124.7(4) C8 C3 C4 C5 -176.0(3) C8 C3 C4 C9 5.2(6) C9 C4 C5 Ir1 119.7(4) C9 C4 C5 C1 -179.3(3) C9 C4 C5 C10 -3.3(6)