#------------------------------------------------------------------------------ #$Date: 2019-11-26 03:35:14 +0200 (Tue, 26 Nov 2019) $ #$Revision: 242518 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/13/25/4132556.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_4132556 loop_ _publ_author_name 'Lai, Po-Ni' 'Brysacz, Caroline H.' 'Alam, Md Kamrul' 'Ayoub, Nicholas A.' 'Gray, Thomas G.' 'Bao, Jiming' 'Teets, Thomas S.' _publ_section_title ; Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes. ; _journal_issue 32 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 10198 _journal_page_last 10207 _journal_paper_doi 10.1021/jacs.8b04841 _journal_volume 140 _journal_year 2018 _chemical_formula_sum 'C41 H32 Ir N3 O' _chemical_formula_weight 774.89 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 96.665(3) _cell_angle_beta 100.755(3) _cell_angle_gamma 103.614(3) _cell_formula_units_Z 2 _cell_length_a 8.441(2) _cell_length_b 11.844(3) _cell_length_c 16.460(4) _cell_measurement_reflns_used 9874 _cell_measurement_temperature 123(2) _cell_measurement_theta_max 27.55 _cell_measurement_theta_min 2.37 _cell_volume 1549.0(7) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _diffrn_ambient_temperature 123(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0301 _diffrn_reflns_av_unetI/netI 0.0212 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 37058 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.099 _diffrn_reflns_theta_min 1.277 _exptl_absorpt_coefficient_mu 4.349 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_correction_T_min 0.6148 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_density_diffrn 1.661 _exptl_crystal_description plate _exptl_crystal_F_000 768 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.130 _exptl_crystal_size_min 0.060 _refine_diff_density_max 3.422 _refine_diff_density_min -0.375 _refine_diff_density_rms 0.097 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.094 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 417 _refine_ls_number_reflns 6830 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.094 _refine_ls_R_factor_all 0.0225 _refine_ls_R_factor_gt 0.0206 _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^)+(0.0263P)^2^+1.8253P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0503 _refine_ls_wR_factor_ref 0.0520 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6484 _reflns_number_total 6830 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ja8b04841_si_002.cif _cod_data_source_block 1 _cod_original_cell_volume 1549.1(7) _cod_database_code 4132556 _shelx_shelxl_version_number 2014/7 _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. ; _shelx_estimated_absorpt_t_min 0.477 _shelx_estimated_absorpt_t_max 0.780 _shelx_res_file ; bl4.res created by SHELXL-2014/7 TITL bl4 in P1 CELL 0.71073 8.44080 11.84450 16.46000 96.6651 100.7550 103.6136 ZERR 2.00 0.00230 0.00320 0.00440 0.0030 0.0029 0.0029 LATT 1 SFAC C H N O IR UNIT 82 64 6 2 2 TEMP -149.960 SIZE 0.06 0.13 0.20 L.S. 16 BOND FMAP 2 PLAN 20 acta WGHT 0.026300 1.825300 FVAR 0.10340 O1 4 -0.032112 -0.268811 0.163768 11.00000 0.01980 0.01955 = 0.01962 0.00153 -0.00010 0.00498 IR1 5 0.221508 -0.233865 0.232390 11.00000 0.01588 0.01274 = 0.01409 0.00301 0.00156 0.00258 N1 3 0.166713 -0.260248 0.344724 11.00000 0.01730 0.01600 = 0.01672 0.00294 0.00331 0.00385 N2 3 0.284297 -0.193245 0.123465 11.00000 0.01750 0.01495 = 0.01621 0.00335 0.00172 0.00277 N3 3 0.202752 -0.420159 0.204148 11.00000 0.01918 0.01479 = 0.01916 0.00310 0.00232 0.00377 C1 1 0.080542 -0.623624 0.128474 11.00000 0.03232 0.01761 = 0.03322 0.00062 -0.00471 0.00399 AFIX 137 H1A 2 0.195298 -0.630265 0.132959 11.00000 -1.50000 H1B 2 0.014898 -0.657809 0.071590 11.00000 -1.50000 H1C 2 0.030238 -0.666044 0.168985 11.00000 -1.50000 AFIX 0 C2 1 0.082382 -0.495351 0.146791 11.00000 0.02591 0.01638 = 0.02158 0.00474 0.00270 0.00435 C3 1 -0.054887 -0.464323 0.098657 11.00000 0.02654 0.01800 = 0.02398 -0.00241 -0.00753 0.00257 AFIX 43 H3 2 -0.119526 -0.521544 0.051642 11.00000 -1.20000 AFIX 0 C4 1 -0.107293 -0.362687 0.110716 11.00000 0.02123 0.02138 = 0.01938 0.00497 0.00071 0.00080 C5 1 -0.271733 -0.358504 0.057529 11.00000 0.02617 0.02973 = 0.03229 0.00129 -0.00708 0.00625 AFIX 137 H5A 2 -0.343291 -0.337227 0.093992 11.00000 -1.50000 H5B 2 -0.327385 -0.436013 0.023190 11.00000 -1.50000 H5C 2 -0.251146 -0.299560 0.020918 11.00000 -1.50000 AFIX 0 C11 1 0.009939 -0.317409 0.351041 11.00000 0.01643 0.02434 = 0.02231 0.00354 0.00189 0.00194 AFIX 43 H11 2 -0.076565 -0.342474 0.301655 11.00000 -1.20000 AFIX 0 C12 1 -0.026316 -0.339546 0.425319 11.00000 0.02267 0.02690 = 0.02537 0.00518 0.00666 0.00328 AFIX 43 H12 2 -0.132787 -0.387392 0.426969 11.00000 -1.20000 AFIX 0 C13 1 0.095736 -0.290810 0.500506 11.00000 0.02505 0.02381 = 0.02147 0.00616 0.00695 0.00908 C14 1 0.058549 -0.301232 0.579930 11.00000 0.03013 0.03682 = 0.02618 0.00894 0.01228 0.00949 AFIX 43 H14 2 -0.046201 -0.349702 0.583439 11.00000 -1.20000 AFIX 0 C15 1 0.171434 -0.242432 0.651787 11.00000 0.03879 0.04503 = 0.02010 0.00773 0.01117 0.01609 AFIX 43 H15 2 0.146267 -0.251670 0.704918 11.00000 -1.20000 AFIX 0 C16 1 0.325063 -0.168158 0.646873 11.00000 0.03189 0.03491 = 0.01889 -0.00047 0.00203 0.01300 AFIX 43 H16 2 0.401056 -0.124429 0.696771 11.00000 -1.20000 AFIX 0 C17 1 0.366099 -0.158304 0.570795 11.00000 0.02452 0.02501 = 0.02246 0.00215 0.00292 0.00922 AFIX 43 H17 2 0.469919 -0.107180 0.568657 11.00000 -1.20000 AFIX 0 C18 1 0.256139 -0.223163 0.495230 11.00000 0.02271 0.01744 = 0.01707 0.00342 0.00227 0.00778 C19 1 0.293099 -0.220950 0.413393 11.00000 0.01958 0.01331 = 0.01720 0.00231 0.00102 0.00485 C21 1 0.449804 -0.188683 0.305008 11.00000 0.01779 0.01246 = 0.02150 0.00343 0.00152 0.00502 C22 1 0.602405 -0.161918 0.279563 11.00000 0.02354 0.02003 = 0.02340 0.00675 0.00610 0.00511 AFIX 43 H22 2 0.600988 -0.165151 0.221485 11.00000 -1.20000 AFIX 0 C23 1 0.754739 -0.130982 0.336594 11.00000 0.01892 0.02665 = 0.03453 0.00837 0.00726 0.00398 AFIX 43 H23 2 0.855600 -0.111167 0.317444 11.00000 -1.20000 AFIX 0 C24 1 0.760773 -0.128781 0.421820 11.00000 0.01897 0.03138 = 0.03090 0.00383 -0.00108 0.00508 AFIX 43 H24 2 0.865446 -0.107876 0.460824 11.00000 -1.20000 AFIX 0 C25 1 0.613073 -0.157287 0.449595 11.00000 0.02090 0.02675 = 0.02228 0.00344 0.00096 0.00647 AFIX 43 H25 2 0.617141 -0.158851 0.507512 11.00000 -1.20000 AFIX 0 C26 1 0.457300 -0.183898 0.392666 11.00000 0.02002 0.01576 = 0.01827 0.00176 0.00136 0.00270 C31 1 0.264995 -0.089579 0.102583 11.00000 0.01407 0.01590 = 0.01771 0.00374 -0.00016 0.00185 C32 1 0.335468 -0.268185 0.070546 11.00000 0.02195 0.01664 = 0.02067 0.00267 0.00304 0.00617 AFIX 43 H32 2 0.352119 -0.339311 0.087455 11.00000 -1.20000 AFIX 0 C33 1 0.363397 -0.244768 -0.005297 11.00000 0.02163 0.02109 = 0.02061 0.00230 0.00457 0.00660 AFIX 43 H33 2 0.410324 -0.294346 -0.037738 11.00000 -1.20000 AFIX 0 C34 1 0.321896 -0.145799 -0.035495 11.00000 0.01652 0.01978 = 0.01940 0.00555 0.00340 0.00148 C35 1 0.322618 -0.127667 -0.118661 11.00000 0.02683 0.02559 = 0.02165 0.00431 0.00813 0.00353 AFIX 43 H35 2 0.366847 -0.176378 -0.153337 11.00000 -1.20000 AFIX 0 C36 1 0.260688 -0.041144 -0.150048 11.00000 0.03430 0.02729 = 0.01867 0.00887 0.00554 0.00187 AFIX 43 H36 2 0.260997 -0.030593 -0.206363 11.00000 -1.20000 AFIX 0 C37 1 0.196512 0.032294 -0.099145 11.00000 0.02740 0.02132 = 0.02401 0.00943 -0.00026 0.00274 AFIX 43 H37 2 0.149950 0.090527 -0.121849 11.00000 -1.20000 AFIX 0 C38 1 0.200601 0.020501 -0.016728 11.00000 0.02163 0.01772 = 0.02300 0.00517 0.00276 0.00294 AFIX 43 H38 2 0.159749 0.072372 0.017327 11.00000 -1.20000 AFIX 0 C39 1 0.265055 -0.068172 0.018414 11.00000 0.01561 0.01830 = 0.01906 0.00429 0.00158 0.00094 C41 1 0.222363 -0.063246 0.245109 11.00000 0.01412 0.01582 = 0.02032 0.00300 -0.00031 0.00383 C42 1 0.203284 0.007821 0.314962 11.00000 0.02050 0.02168 = 0.01930 0.00179 0.00079 0.00484 AFIX 43 H42 2 0.184441 -0.025936 0.363060 11.00000 -1.20000 AFIX 0 C43 1 0.211229 0.125970 0.315564 11.00000 0.03017 0.02245 = 0.02241 -0.00282 -0.00015 0.01150 AFIX 43 H43 2 0.193348 0.171226 0.362912 11.00000 -1.20000 AFIX 0 C44 1 0.245213 0.178998 0.247338 11.00000 0.03478 0.01608 = 0.02709 0.00037 -0.00376 0.00972 AFIX 43 H44 2 0.256573 0.261040 0.249213 11.00000 -1.20000 AFIX 0 C45 1 0.262373 0.111104 0.176560 11.00000 0.02822 0.01674 = 0.02201 0.00505 0.00080 0.00446 AFIX 43 H45 2 0.286178 0.146955 0.129942 11.00000 -1.20000 AFIX 0 C46 1 0.244786 -0.010072 0.173453 11.00000 0.01856 0.01691 = 0.01794 0.00314 0.00018 0.00437 C51 1 0.320110 -0.466407 0.256885 11.00000 0.02302 0.01010 = 0.02372 0.00138 -0.00127 0.00175 C52 1 0.469244 -0.475744 0.235711 11.00000 0.02564 0.02355 = 0.03491 0.00897 0.00448 0.00411 AFIX 43 H52 2 0.494561 -0.452373 0.185298 11.00000 -1.20000 AFIX 0 C53 1 0.581430 -0.519332 0.288376 11.00000 0.02113 0.02566 = 0.05103 0.00740 0.00109 0.00572 AFIX 43 H53 2 0.682207 -0.526746 0.273243 11.00000 -1.20000 AFIX 0 C54 1 0.546947 -0.551805 0.362427 11.00000 0.03128 0.02185 = 0.04032 0.00629 -0.01238 0.00346 AFIX 43 H54 2 0.623680 -0.581744 0.397978 11.00000 -1.20000 AFIX 0 C55 1 0.400981 -0.540747 0.384763 11.00000 0.04074 0.01841 = 0.02435 0.00558 -0.00471 0.00552 AFIX 43 H55 2 0.378183 -0.561922 0.436145 11.00000 -1.20000 AFIX 0 C56 1 0.286661 -0.498493 0.332001 11.00000 0.03146 0.01660 = 0.02307 0.00344 0.00167 0.00525 AFIX 43 H56 2 0.185872 -0.491616 0.347367 11.00000 -1.20000 AFIX 0 HKLF 4 REM bl4 in P1 REM R1 = 0.0206 for 6484 Fo > 4sig(Fo) and 0.0225 for all 6830 data REM 417 parameters refined using 0 restraints END WGHT 0.0263 1.8182 REM Highest difference peak 3.422, deepest hole -0.375, 1-sigma level 0.097 Q1 1 0.3277 -0.1788 0.2458 11.00000 0.05 3.42 Q2 1 0.3176 -0.2568 0.2376 11.00000 0.05 1.70 Q3 1 0.1468 -0.2009 0.2435 11.00000 0.05 0.65 Q4 1 0.1570 -0.2670 0.1891 11.00000 0.05 0.57 Q5 1 0.1607 -0.3018 0.2411 11.00000 0.05 0.57 Q6 1 0.1019 -0.2788 0.2080 11.00000 0.05 0.50 Q7 1 0.2562 -0.1920 0.2897 11.00000 0.05 0.50 Q8 1 0.2288 -0.1567 0.2071 11.00000 0.05 0.45 Q9 1 0.3793 -0.1977 0.4076 11.00000 0.05 0.42 Q10 1 0.5368 -0.1955 0.2929 11.00000 0.05 0.41 Q11 1 0.3038 -0.1003 -0.0039 11.00000 0.05 0.41 Q12 1 0.2177 0.1445 0.2770 11.00000 0.05 0.40 Q13 1 0.1766 -0.0257 0.2822 11.00000 0.05 0.40 Q14 1 0.0700 -0.2759 0.5398 11.00000 0.05 0.39 Q15 1 0.6790 -0.1197 0.4331 11.00000 0.05 0.39 Q16 1 0.1665 -0.2462 0.4986 11.00000 0.05 0.39 Q17 1 0.2522 -0.1172 0.2455 11.00000 0.05 0.39 Q18 1 0.2631 -0.0410 0.1369 11.00000 0.05 0.38 Q19 1 0.2253 -0.1937 0.6365 11.00000 0.05 0.37 Q20 1 0.3001 -0.0600 0.0635 11.00000 0.05 0.36 ; _shelx_res_checksum 99078 _shelx_hkl_file ; -1 0 0 4.27 0.22 -1 0 0 3.98 0.20 -1 0 0 3.93 0.18 1 0 0 3.95 0.21 1 0 0 4.46 0.22 1 0 0 4.32 0.18 -2 0 0 634.18 15.72 -2 0 0 657.61 15.54 -2 0 0 653.57 15.64 2 0 0 647.18 15.63 2 0 0 644.39 15.53 2 0 0 661.89 15.63 2 0 0 627.59 15.67 -3 0 0 8.36 0.46 -3 0 0 9.18 0.39 -3 0 0 8.24 0.42 -3 0 0 8.62 0.35 3 0 0 7.92 0.45 3 0 0 8.04 0.50 3 0 0 7.80 0.36 3 0 0 8.25 0.36 3 0 0 8.22 0.45 -4 0 0 173.76 4.64 -4 0 0 177.85 4.50 -4 0 0 182.85 4.75 -4 0 0 182.09 4.56 4 0 0 183.58 4.53 4 0 0 180.62 4.73 4 0 0 180.80 4.83 4 0 0 178.15 4.55 4 0 0 175.35 4.71 -5 0 0 72.17 2.01 -5 0 0 71.37 2.28 -5 0 0 70.30 2.18 -5 0 0 74.95 2.08 5 0 0 74.35 2.04 5 0 0 73.25 2.08 5 0 0 71.27 2.38 5 0 0 71.01 2.28 5 0 0 76.05 2.28 -6 0 0 38.27 1.51 -6 0 0 37.95 1.29 -6 0 0 39.77 1.44 6 0 0 38.43 1.48 6 0 0 37.38 1.61 6 0 0 38.65 1.54 6 0 0 37.52 1.41 6 0 0 34.11 1.25 -7 0 0 61.67 2.24 -7 0 0 62.50 2.12 7 0 0 61.28 2.24 7 0 0 59.74 2.17 7 0 0 58.59 2.33 -8 0 0 0.69 0.44 -8 0 0 0.19 0.30 8 0 0 0.79 0.52 8 0 0 0.50 0.38 8 0 0 0.29 0.34 -9 0 0 32.72 1.71 9 0 0 33.66 1.90 -10 0 0 1.56 0.64 10 0 0 1.71 0.69 10 -1 0 22.32 1.65 -10 1 0 25.20 1.60 9 -1 0 1.82 0.62 9 -1 0 2.32 0.60 -9 1 0 2.03 0.58 8 -1 0 80.83 2.99 8 -1 0 78.85 2.80 8 -1 0 81.77 2.80 -8 1 0 78.33 2.81 -8 1 0 80.75 2.64 7 -1 0 1.95 0.47 7 -1 0 2.20 0.48 7 -1 0 2.10 0.47 -7 1 0 1.30 0.34 -7 1 0 1.87 0.44 6 -1 0 47.17 1.82 6 -1 0 43.51 1.42 6 -1 0 45.72 1.71 6 -1 0 45.90 1.44 6 -1 0 45.12 1.65 -6 1 0 45.58 1.42 -6 1 0 44.24 1.55 -6 1 0 45.57 1.44 -6 1 0 44.63 1.68 5 -1 0 3.24 0.39 5 -1 0 2.33 0.37 5 -1 0 2.94 0.30 5 -1 0 3.14 0.47 -5 1 0 2.08 0.31 -5 1 0 1.09 0.27 -5 1 0 2.23 0.27 4 -1 0 123.96 3.51 4 -1 0 123.48 3.45 4 -1 0 126.82 3.38 4 -1 0 125.75 3.25 -4 1 0 126.62 3.24 -4 1 0 123.93 3.32 -4 1 0 128.03 3.43 3 -1 0 84.44 2.39 3 -1 0 85.18 2.22 3 -1 0 83.92 2.37 -3 1 0 86.45 2.33 -3 1 0 86.33 2.20 -3 1 0 81.44 2.24 2 -1 0 239.54 5.93 2 -1 0 238.90 5.91 2 -1 0 242.21 6.02 2 -1 0 241.68 6.01 -2 1 0 243.93 5.97 -2 1 0 244.02 5.89 1 -1 0 578.25 14.39 1 -1 0 588.61 14.19 1 -1 0 600.51 14.45 1 -1 0 547.85 14.25 1 -1 0 580.68 14.21 -1 1 0 632.25 14.22 -1 1 0 572.02 14.39 -1 1 0 600.71 14.28 0 -1 0 25.07 0.70 0 -1 0 25.35 0.70 0 1 0 25.39 0.69 0 1 0 24.08 0.70 -1 -1 0 345.20 8.23 -1 -1 0 328.31 8.24 -1 -1 0 343.36 8.24 1 1 0 344.59 8.25 1 1 0 345.54 8.28 1 1 0 342.55 8.17 1 1 0 326.31 8.22 -2 -1 0 213.06 5.28 -2 -1 0 209.34 5.32 -2 -1 0 214.34 5.21 2 1 0 220.93 5.39 2 1 0 218.09 5.22 2 1 0 200.94 5.36 2 1 0 215.99 5.27 -3 -1 0 182.01 4.51 -3 -1 0 180.48 4.62 -3 -1 0 174.38 4.57 -3 -1 0 171.71 4.41 3 1 0 180.67 4.66 3 1 0 178.27 4.68 3 1 0 177.00 4.54 3 1 0 179.88 4.44 -4 -1 0 5.36 0.42 -4 -1 0 6.53 0.40 -4 -1 0 4.54 0.45 -4 -1 0 5.90 0.31 4 1 0 5.56 0.48 4 1 0 5.60 0.32 4 1 0 5.41 0.37 4 1 0 5.32 0.41 4 1 0 4.99 0.53 -5 -1 0 41.94 1.50 -5 -1 0 45.05 1.42 -5 -1 0 42.66 1.57 -5 -1 0 42.14 1.29 5 1 0 44.54 1.67 5 1 0 42.89 1.32 5 1 0 42.84 1.50 5 1 0 43.34 1.40 5 1 0 43.83 1.63 -6 -1 0 18.42 0.96 -6 -1 0 20.02 0.88 -6 -1 0 19.24 1.05 6 1 0 20.01 1.13 6 1 0 18.49 0.85 6 1 0 20.70 0.99 6 1 0 19.57 1.07 -7 -1 0 2.76 0.53 -7 -1 0 2.87 0.49 7 1 0 2.52 0.46 7 1 0 1.90 0.53 7 1 0 2.89 0.56 -8 -1 0 34.19 1.70 -8 -1 0 37.09 1.62 8 1 0 34.70 1.74 8 1 0 34.73 1.83 -9 -1 0 0.45 0.49 9 1 0 0.15 0.44 9 1 0 0.59 0.51 -10 -1 0 11.92 1.32 10 1 0 13.62 1.48 10 -2 0 1.93 0.67 10 -2 0 0.57 0.53 -10 2 0 1.82 0.62 9 -2 0 33.54 1.84 9 -2 0 33.51 1.73 -9 2 0 32.46 1.68 8 -2 0 0.04 0.33 8 -2 0 0.50 0.38 -8 2 0 0.91 0.38 -8 2 0 0.39 0.28 7 -2 0 33.58 1.52 7 -2 0 33.55 1.59 -7 2 0 33.49 1.33 -7 2 0 34.72 1.49 6 -2 0 8.88 0.52 6 -2 0 8.34 0.67 6 -2 0 8.82 0.74 -6 2 0 8.59 0.49 -6 2 0 8.16 0.55 -6 2 0 8.70 0.64 5 -2 0 68.61 2.16 5 -2 0 75.74 2.11 5 -2 0 74.88 2.39 5 -2 0 76.70 2.38 -5 2 0 73.37 2.28 -5 2 0 76.50 2.08 -5 2 0 73.11 2.15 4 -2 0 100.13 2.76 4 -2 0 104.37 2.96 4 -2 0 105.51 2.97 4 -2 0 101.95 2.75 -4 2 0 104.96 2.88 -4 2 0 103.46 2.77 -4 2 0 102.96 2.71 3 -2 0 8.30 0.39 3 -2 0 8.69 0.49 3 -2 0 8.19 0.46 3 -2 0 7.35 0.35 3 -2 0 7.92 0.39 -3 2 0 7.71 0.35 -3 2 0 7.89 0.43 -3 2 0 6.85 0.35 2 -2 0 129.31 3.38 2 -2 0 134.00 3.46 2 -2 0 130.34 3.26 2 -2 0 133.62 3.37 2 -2 0 134.21 3.34 -2 2 0 132.78 3.37 -2 2 0 130.58 3.31 -2 2 0 134.25 3.27 1 -2 0 91.66 2.31 1 -2 0 95.69 2.35 1 -2 0 89.47 2.26 1 -2 0 85.41 2.35 1 -2 0 92.26 2.31 -1 2 0 90.95 2.24 -1 2 0 90.01 2.31 -1 2 0 88.70 2.32 0 -2 0 246.64 6.07 0 -2 0 243.36 6.07 0 -2 0 243.04 6.00 0 -2 0 253.89 6.11 0 2 0 243.18 6.09 0 2 0 246.00 5.96 0 2 0 249.30 6.06 -1 -2 0 -0.01 0.12 -1 -2 0 0.11 0.12 1 2 0 0.14 0.13 1 2 0 0.11 0.07 1 2 0 0.05 0.10 1 2 0 0.07 0.10 -2 -2 0 67.09 1.90 -2 -2 0 65.10 1.91 -2 -2 0 68.68 1.88 2 2 0 63.90 1.86 2 2 0 67.36 1.77 2 2 0 67.90 1.92 2 2 0 67.66 1.97 -3 -2 0 0.59 0.17 -3 -2 0 0.92 0.21 -3 -2 0 0.77 0.22 -3 -2 0 0.86 0.15 3 2 0 0.52 0.21 3 2 0 0.21 0.14 3 2 0 0.26 0.18 3 2 0 0.19 0.12 -4 -2 0 12.03 0.51 -4 -2 0 12.18 0.61 -4 -2 0 10.92 0.64 -4 -2 0 11.53 0.67 4 2 0 13.03 0.75 4 2 0 12.82 0.74 4 2 0 12.33 0.60 -5 -2 0 28.52 1.23 -5 -2 0 28.98 0.97 -5 -2 0 28.86 1.11 -5 -2 0 28.57 1.20 5 2 0 28.18 1.28 5 2 0 29.12 1.30 5 2 0 28.11 1.10 -6 -2 0 4.05 0.46 -6 -2 0 3.43 0.56 -6 -2 0 3.77 0.53 6 2 0 3.38 0.43 6 2 0 3.84 0.49 6 2 0 3.31 0.54 6 2 0 3.43 0.60 -7 -2 0 38.73 1.71 -7 -2 0 38.25 1.65 7 2 0 38.40 1.78 7 2 0 38.52 1.81 -8 -2 0 4.10 0.66 -8 -2 0 6.72 0.90 8 2 0 4.80 0.84 8 2 0 5.02 0.80 -9 -2 0 24.59 1.60 9 2 0 26.76 1.73 10 -3 0 17.55 1.37 10 -3 0 17.07 1.44 -10 3 0 15.22 1.28 9 -3 0 5.42 0.85 9 -3 0 4.26 0.82 -9 3 0 5.11 0.78 8 -3 0 39.25 1.85 8 -3 0 38.79 1.79 -8 3 0 35.34 1.65 7 -3 0 1.67 0.46 7 -3 0 1.60 0.32 7 -3 0 1.54 0.42 -7 3 0 1.95 0.43 -7 3 0 2.16 0.37 6 -3 0 93.06 2.71 6 -3 0 93.89 2.68 6 -3 0 87.59 2.94 6 -3 0 96.30 3.02 -6 3 0 96.98 2.88 -6 3 0 92.73 2.70 -6 3 0 94.89 2.60 5 -3 0 16.88 0.89 5 -3 0 16.60 0.89 5 -3 0 16.81 0.73 5 -3 0 15.64 0.69 -5 3 0 15.92 0.80 -5 3 0 16.37 0.66 -5 3 0 16.33 0.71 4 -3 0 66.67 1.91 4 -3 0 65.62 1.81 4 -3 0 67.04 2.03 4 -3 0 67.00 1.90 4 -3 0 63.51 2.07 -4 3 0 64.43 1.86 -4 3 0 66.44 1.83 -4 3 0 63.59 1.95 3 -3 0 86.46 2.37 3 -3 0 86.85 2.41 3 -3 0 88.52 2.34 3 -3 0 84.25 2.22 3 -3 0 85.11 2.50 -3 3 0 88.88 2.31 -3 3 0 86.59 2.23 -3 3 0 86.14 2.31 -3 3 0 86.99 2.38 2 -3 0 180.83 4.48 2 -3 0 172.54 4.60 2 -3 0 181.06 4.54 -2 3 0 181.10 4.37 -2 3 0 178.53 4.49 -2 3 0 177.43 4.50 1 -3 0 950.46 23.24 1 -3 0 956.15 23.31 1 -3 0 949.03 23.30 1 -3 0 1000.00 23.67 1 -3 0 993.42 23.67 -1 3 0 977.49 23.43 -1 3 0 922.08 23.24 -1 3 0 989.67 23.57 0 -3 0 166.86 4.05 0 -3 0 149.84 3.97 0 -3 0 147.81 3.87 0 -3 0 154.52 3.98 0 3 0 157.39 3.96 0 3 0 155.02 4.01 0 3 0 153.81 3.81 -1 -3 0 38.78 1.09 -1 -3 0 40.78 1.23 -1 -3 0 38.69 1.25 -1 -3 0 40.04 1.31 1 3 0 40.17 1.30 1 3 0 37.85 1.26 1 3 0 41.10 1.17 1 3 0 40.38 1.09 -2 -3 0 2.21 0.33 -2 -3 0 2.39 0.32 2 3 0 1.67 0.25 2 3 0 1.94 0.18 2 3 0 2.34 0.34 2 3 0 2.10 0.28 -3 -3 0 58.31 1.80 -3 -3 0 56.97 1.62 -3 -3 0 54.05 1.80 3 3 0 56.94 1.59 3 3 0 54.61 1.79 3 3 0 55.81 1.87 3 3 0 55.42 1.74 -4 -3 0 28.13 1.18 -4 -3 0 28.24 1.17 -4 -3 0 27.39 0.96 4 3 0 27.30 1.23 4 3 0 28.91 1.21 4 3 0 28.22 0.99 4 3 0 27.44 1.09 -5 -3 0 22.99 1.15 -5 -3 0 24.34 1.17 5 3 0 24.29 1.24 5 3 0 25.47 1.22 5 3 0 24.86 1.06 5 3 0 26.39 1.01 -6 -3 0 25.37 1.31 -6 -3 0 26.16 1.30 6 3 0 26.14 1.37 6 3 0 28.21 1.44 -7 -3 0 14.17 1.00 -7 -3 0 14.85 1.08 7 3 0 13.56 1.10 7 3 0 12.71 1.07 -8 -3 0 36.76 1.78 -8 -3 0 35.24 1.81 8 3 0 32.46 1.85 8 3 0 36.72 1.93 -9 -3 0 1.06 0.57 -9 -3 0 0.30 0.46 9 3 0 0.38 0.55 9 3 0 0.86 0.59 10 -4 0 8.63 1.13 10 -4 0 10.12 1.18 -10 4 0 11.18 1.17 9 -4 0 21.15 1.44 9 -4 0 18.83 1.36 -9 4 0 19.78 1.27 8 -4 0 17.47 1.21 8 -4 0 19.84 1.27 -8 4 0 18.36 1.13 7 -4 0 23.55 1.27 7 -4 0 21.90 1.00 7 -4 0 21.62 1.22 -7 4 0 20.79 0.96 -7 4 0 22.66 1.15 6 -4 0 2.65 0.48 6 -4 0 2.84 0.38 6 -4 0 1.87 0.40 -6 4 0 2.91 0.37 -6 4 0 2.20 0.30 -6 4 0 2.16 0.40 5 -4 0 98.07 2.73 5 -4 0 93.96 2.73 5 -4 0 94.57 2.97 5 -4 0 95.87 2.60 5 -4 0 97.99 2.92 -5 4 0 97.31 2.82 -5 4 0 95.00 2.68 -5 4 0 97.76 2.65 4 -4 0 16.02 0.85 4 -4 0 16.39 0.59 4 -4 0 17.98 0.72 4 -4 0 17.36 0.75 4 -4 0 16.01 0.78 -4 4 0 16.13 0.75 -4 4 0 18.17 0.61 -4 4 0 16.44 0.68 -4 4 0 17.65 0.69 3 -4 0 135.32 3.67 3 -4 0 133.30 3.43 3 -4 0 139.72 3.81 3 -4 0 139.28 3.61 -3 4 0 142.07 3.45 -3 4 0 138.09 3.60 -3 4 0 139.02 3.64 2 -4 0 111.07 2.88 2 -4 0 111.48 3.00 2 -4 0 110.99 2.89 2 -4 0 104.40 2.93 2 -4 0 103.23 2.78 -2 4 0 108.25 2.88 -2 4 0 107.91 2.73 -2 4 0 109.38 2.91 1 -4 0 100.00 2.75 1 -4 0 100.61 2.50 1 -4 0 99.42 2.71 1 -4 0 99.63 2.73 1 -4 0 103.42 2.68 -1 4 0 100.52 2.50 -1 4 0 102.65 2.69 -1 4 0 102.01 2.63 -1 4 0 94.62 2.74 0 -4 0 228.05 5.75 0 -4 0 227.07 5.67 0 -4 0 216.58 5.53 0 -4 0 220.29 5.67 0 4 0 220.85 5.45 0 4 0 214.99 5.70 0 4 0 227.39 5.65 -1 -4 0 13.86 0.63 -1 -4 0 13.12 0.49 -1 -4 0 12.73 0.69 -1 -4 0 13.29 0.66 1 4 0 13.75 0.67 1 4 0 12.76 0.54 1 4 0 12.85 0.67 -2 -4 0 92.34 2.41 -2 -4 0 92.45 2.69 -2 -4 0 95.57 2.78 2 4 0 92.38 2.42 2 4 0 94.68 2.62 2 4 0 95.27 2.79 2 4 0 92.62 2.70 -3 -4 0 9.06 0.61 -3 -4 0 8.37 0.60 -3 -4 0 8.45 0.49 3 4 0 8.48 0.58 3 4 0 9.34 0.59 3 4 0 9.50 0.43 3 4 0 8.56 0.65 -4 -4 0 101.72 2.76 -4 -4 0 99.80 3.01 -4 -4 0 98.32 3.04 4 4 0 98.03 2.99 4 4 0 99.49 2.70 4 4 0 94.14 2.90 4 4 0 100.10 3.14 -5 -4 0 27.72 1.30 -5 -4 0 25.04 1.25 5 4 0 25.99 1.29 5 4 0 26.75 1.38 5 4 0 25.56 1.16 -6 -4 0 13.98 1.00 -6 -4 0 14.01 0.99 6 4 0 14.04 1.03 6 4 0 13.06 1.05 6 4 0 14.59 0.89 -7 -4 0 56.56 2.27 -7 -4 0 51.14 2.23 7 4 0 55.32 2.33 7 4 0 54.89 2.40 -8 -4 0 5.19 0.83 -8 -4 0 6.51 0.88 8 4 0 5.99 0.94 8 4 0 7.37 1.06 -9 -4 0 21.23 1.59 -9 -4 0 21.48 1.52 9 4 0 22.48 1.67 9 4 0 16.70 1.61 10 -5 0 7.81 1.11 10 -5 0 6.16 1.03 -10 5 0 9.31 1.10 9 -5 0 6.84 0.99 9 -5 0 7.55 1.02 -9 5 0 8.72 0.99 8 -5 0 32.93 1.70 8 -5 0 32.82 1.68 -8 5 0 32.69 1.53 7 -5 0 0.35 0.34 7 -5 0 0.14 0.23 7 -5 0 0.50 0.39 -7 5 0 -0.03 0.11 -7 5 0 1.33 0.36 6 -5 0 65.02 2.02 6 -5 0 60.61 2.19 6 -5 0 62.30 2.03 6 -5 0 62.37 2.31 -6 5 0 62.56 1.91 -6 5 0 65.50 2.13 5 -5 0 7.55 0.53 5 -5 0 7.04 0.62 5 -5 0 6.36 0.61 5 -5 0 7.09 0.48 -5 5 0 7.34 0.47 -5 5 0 6.77 0.45 -5 5 0 6.57 0.52 4 -5 0 132.49 3.53 4 -5 0 127.12 3.30 4 -5 0 136.13 3.81 4 -5 0 125.62 3.57 4 -5 0 130.94 3.61 -4 5 0 128.58 3.58 -4 5 0 135.75 3.33 -4 5 0 134.09 3.52 -4 5 0 129.94 3.50 3 -5 0 35.22 1.13 3 -5 0 33.77 1.15 3 -5 0 34.14 1.24 3 -5 0 34.26 1.32 -3 5 0 34.30 1.18 -3 5 0 34.11 0.99 -3 5 0 34.96 1.18 2 -5 0 185.86 4.66 2 -5 0 168.05 4.47 2 -5 0 182.29 4.68 2 -5 0 175.58 4.75 2 -5 0 181.26 4.75 -2 5 0 178.46 4.64 -2 5 0 181.61 4.50 -2 5 0 184.88 4.73 1 -5 0 413.40 9.98 1 -5 0 417.28 10.32 1 -5 0 425.45 10.25 1 -5 0 403.75 10.32 -1 5 0 415.18 9.98 -1 5 0 409.12 10.34 -1 5 0 414.16 10.25 -1 5 0 411.76 10.18 0 -5 0 20.37 0.92 0 -5 0 19.82 0.86 0 -5 0 18.95 0.84 0 -5 0 20.37 0.74 0 5 0 19.70 0.84 0 5 0 21.14 0.91 0 5 0 19.59 0.65 -1 -5 0 232.57 5.98 -1 -5 0 241.15 6.38 -1 -5 0 244.26 6.23 -1 -5 0 250.55 6.31 1 5 0 243.45 6.07 1 5 0 236.81 6.30 1 5 0 242.27 6.30 -2 -5 0 10.30 0.58 -2 -5 0 9.65 0.69 -2 -5 0 9.79 0.64 -2 -5 0 10.34 0.43 2 5 0 10.93 0.71 2 5 0 8.49 0.61 2 5 0 9.79 0.42 2 5 0 9.94 0.56 -3 -5 0 193.95 5.35 -3 -5 0 189.13 5.16 -3 -5 0 193.47 5.43 3 5 0 204.14 5.51 3 5 0 200.30 5.26 3 5 0 199.84 5.35 3 5 0 197.49 4.99 -4 -5 0 9.71 0.76 -4 -5 0 9.88 0.72 -4 -5 0 9.71 0.59 4 5 0 9.35 0.72 4 5 0 9.58 0.80 4 5 0 9.23 0.70 -5 -5 0 94.59 3.12 -5 -5 0 99.72 3.12 5 5 0 95.29 2.99 5 5 0 88.62 3.02 5 5 0 89.80 3.18 -6 -5 0 12.96 1.03 -6 -5 0 14.19 1.05 6 5 0 11.68 1.01 6 5 0 12.79 1.11 6 5 0 12.66 0.91 -7 -5 0 46.87 2.11 -7 -5 0 43.33 2.05 7 5 0 44.21 2.18 7 5 0 43.03 2.06 -8 -5 0 21.52 1.54 -8 -5 0 23.70 1.57 8 5 0 22.38 1.59 8 5 0 23.47 1.65 10 -6 0 8.36 1.12 10 -6 0 6.37 1.05 -10 6 0 10.36 1.14 9 -6 0 28.72 1.69 9 -6 0 27.55 1.67 -9 6 0 31.51 1.59 8 -6 0 1.64 0.40 8 -6 0 2.51 0.56 8 -6 0 2.09 0.60 -8 6 0 2.77 0.57 7 -6 0 76.80 2.50 7 -6 0 76.75 2.83 7 -6 0 79.76 2.75 7 -6 0 74.56 2.43 -7 6 0 81.69 2.64 6 -6 0 6.11 0.51 6 -6 0 5.13 0.55 6 -6 0 7.15 0.83 6 -6 0 5.17 0.61 -6 6 0 5.38 0.46 -6 6 0 5.91 0.63 -6 6 0 5.57 0.46 5 -6 0 147.64 4.08 5 -6 0 142.72 4.06 5 -6 0 147.96 3.98 -5 6 0 149.37 3.95 -5 6 0 140.12 4.03 -5 6 0 145.77 3.94 4 -6 0 3.85 0.54 4 -6 0 3.30 0.39 4 -6 0 2.73 0.21 4 -6 0 2.81 0.40 4 -6 0 3.47 0.39 -4 6 0 2.81 0.35 -4 6 0 3.98 0.45 3 -6 0 249.52 6.37 3 -6 0 240.92 6.22 3 -6 0 248.28 6.36 3 -6 0 249.23 6.47 3 -6 0 242.55 6.54 -3 6 0 251.02 6.41 -3 6 0 251.68 6.13 -3 6 0 247.75 6.35 2 -6 0 88.02 2.38 2 -6 0 91.15 2.70 2 -6 0 91.15 2.66 2 -6 0 94.88 2.62 2 -6 0 92.86 2.74 -2 6 0 93.70 2.72 -2 6 0 94.23 2.49 -2 6 0 91.73 2.62 1 -6 0 119.86 3.30 1 -6 0 115.93 2.97 1 -6 0 120.42 3.40 1 -6 0 119.17 3.39 -1 6 0 121.41 3.41 -1 6 0 117.71 2.98 -1 6 0 120.50 3.25 0 -6 0 26.56 1.09 0 -6 0 25.60 1.08 0 -6 0 26.75 1.16 0 -6 0 25.72 0.93 0 6 0 25.58 1.05 0 6 0 27.17 1.14 0 6 0 26.28 0.83 -1 -6 0 15.66 0.88 -1 -6 0 15.06 0.60 -1 -6 0 14.74 0.78 -1 -6 0 16.16 0.85 1 6 0 14.89 0.84 1 6 0 16.10 0.85 1 6 0 16.18 0.66 -2 -6 0 106.22 3.25 -2 -6 0 104.56 3.14 -2 -6 0 100.43 3.00 2 6 0 102.64 3.18 2 6 0 105.81 3.16 2 6 0 102.88 2.92 -3 -6 0 4.27 0.57 -3 -6 0 5.06 0.68 3 6 0 4.62 0.61 3 6 0 4.90 0.65 3 6 0 4.69 0.53 -4 -6 0 81.40 2.55 -4 -6 0 81.61 2.78 -4 -6 0 81.46 2.85 4 6 0 78.85 2.88 4 6 0 88.25 2.79 4 6 0 87.05 2.71 -5 -6 0 0.14 0.35 -5 -6 0 0.25 0.33 5 6 0 0.18 0.28 5 6 0 0.10 0.36 5 6 0 -0.15 0.30 -6 -6 0 38.88 1.87 -6 -6 0 35.49 1.78 6 6 0 34.75 1.87 6 6 0 36.04 1.67 6 6 0 35.04 1.73 -7 -6 0 5.59 0.90 -7 -6 0 5.52 0.90 7 6 0 5.68 0.88 7 6 0 7.19 1.06 -8 -6 0 6.95 1.07 -8 -6 0 6.10 1.01 8 6 0 7.35 1.10 8 6 0 7.23 1.10 10 -7 0 5.93 1.04 10 -7 0 7.36 1.05 -10 7 0 7.22 0.96 9 -7 0 13.16 1.29 9 -7 0 11.55 1.28 -9 7 0 13.29 1.06 8 -7 0 26.10 1.58 8 -7 0 23.69 1.39 8 -7 0 22.28 1.21 -8 7 0 25.83 1.34 7 -7 0 0.47 0.29 7 -7 0 0.18 0.30 7 -7 0 0.29 0.31 -7 7 0 0.45 0.32 6 -7 0 131.79 3.81 6 -7 0 142.25 4.29 6 -7 0 134.47 3.97 6 -7 0 132.94 3.93 -6 7 0 136.11 3.79 -6 7 0 137.24 3.79 -6 7 0 136.42 3.94 5 -7 0 -0.01 0.21 5 -7 0 0.47 0.22 5 -7 0 0.05 0.20 5 -7 0 0.11 0.18 -5 7 0 0.17 0.18 -5 7 0 0.53 0.22 -5 7 0 0.04 0.20 4 -7 0 144.66 4.05 4 -7 0 150.15 4.21 4 -7 0 152.17 4.35 4 -7 0 142.18 3.96 -4 7 0 151.01 4.10 -4 7 0 151.92 4.12 3 -7 0 13.53 0.78 3 -7 0 12.16 0.78 3 -7 0 10.71 0.65 3 -7 0 13.51 0.72 3 -7 0 11.83 0.54 -3 7 0 13.63 0.76 -3 7 0 12.62 0.53 -3 7 0 12.59 0.68 2 -7 0 88.70 2.43 2 -7 0 97.57 2.92 2 -7 0 92.17 2.82 2 -7 0 94.28 2.83 2 -7 0 96.98 2.76 -2 7 0 96.55 2.77 -2 7 0 97.21 2.64 -2 7 0 97.25 2.90 1 -7 0 38.37 1.44 1 -7 0 36.38 1.35 1 -7 0 34.76 1.28 1 -7 0 37.69 1.46 1 -7 0 34.86 1.02 -1 7 0 36.04 1.44 -1 7 0 37.31 1.31 -1 7 0 35.55 1.01 0 -7 0 33.35 1.41 0 -7 0 32.09 1.13 0 -7 0 33.40 1.32 0 -7 0 32.69 1.33 0 7 0 34.16 1.32 0 7 0 33.15 1.38 -1 -7 0 77.41 2.47 -1 -7 0 76.13 2.57 -1 -7 0 73.84 2.41 1 7 0 78.45 2.49 1 7 0 75.69 2.17 1 7 0 77.40 2.52 -2 -7 0 6.11 0.67 -2 -7 0 5.79 0.58 -2 -7 0 6.64 0.75 2 7 0 5.82 0.48 2 7 0 4.97 0.60 2 7 0 5.69 0.66 -3 -7 0 77.17 2.65 -3 -7 0 72.16 2.40 -3 -7 0 80.51 2.76 3 7 0 76.18 2.62 3 7 0 78.90 2.73 3 7 0 75.39 2.42 -4 -7 0 -0.29 0.30 -4 -7 0 -0.08 0.33 4 7 0 -0.17 0.24 4 7 0 -0.15 0.32 -5 -7 0 12.55 1.15 -5 -7 0 11.21 1.14 5 7 0 9.70 0.95 5 7 0 10.97 0.91 5 7 0 8.89 1.00 -6 -7 0 6.28 0.93 -6 -7 0 9.01 1.11 6 7 0 8.50 1.13 6 7 0 6.82 0.86 6 7 0 8.93 1.02 -7 -7 0 13.67 1.45 -7 -7 0 14.76 1.46 7 7 0 15.82 1.53 7 7 0 13.14 1.34 10 -8 0 17.24 1.54 -10 8 0 14.71 1.24 9 -8 0 10.45 1.25 -9 8 0 13.91 1.09 8 -8 0 10.69 1.18 8 -8 0 11.65 0.90 -8 8 0 11.05 0.92 7 -8 0 53.62 2.01 7 -8 0 52.62 2.31 -7 8 0 53.46 2.02 6 -8 0 5.03 0.62 6 -8 0 6.48 0.84 6 -8 0 5.60 0.59 -6 8 0 6.24 0.54 -6 8 0 5.68 0.58 5 -8 0 88.08 3.01 5 -8 0 85.38 2.82 5 -8 0 88.98 2.70 -5 8 0 88.24 2.71 -5 8 0 88.22 2.74 4 -8 0 4.79 0.65 4 -8 0 4.11 0.55 4 -8 0 4.62 0.51 -4 8 0 4.76 0.56 -4 8 0 3.68 0.46 3 -8 0 114.45 3.29 3 -8 0 117.69 3.35 3 -8 0 110.30 3.42 3 -8 0 111.32 3.43 -3 8 0 110.43 3.05 -3 8 0 114.50 3.40 -3 8 0 112.98 3.27 2 -8 0 53.19 1.91 2 -8 0 53.26 1.85 2 -8 0 51.15 1.92 2 -8 0 53.58 1.82 -2 8 0 53.20 1.70 -2 8 0 51.78 1.93 -2 8 0 53.94 1.83 1 -8 0 110.90 3.24 1 -8 0 108.29 3.13 1 -8 0 115.48 3.41 1 -8 0 104.60 3.30 -1 8 0 106.78 3.16 -1 8 0 107.29 3.23 -1 8 0 112.85 3.38 0 -8 0 65.94 2.41 0 -8 0 71.78 2.35 0 -8 0 70.83 2.08 0 -8 0 68.80 2.29 0 8 0 69.07 2.28 0 8 0 68.34 2.40 -1 -8 0 22.45 1.23 -1 -8 0 22.38 1.11 -1 -8 0 23.09 1.14 1 8 0 23.17 1.19 1 8 0 22.71 1.15 -2 -8 0 77.57 2.55 -2 -8 0 82.18 2.80 -2 -8 0 76.73 2.65 2 8 0 76.40 2.69 2 8 0 80.17 2.72 -3 -8 0 7.40 0.72 -3 -8 0 5.96 0.75 -3 -8 0 8.80 0.99 3 8 0 8.86 0.89 3 8 0 7.78 0.91 -4 -8 0 62.40 2.52 -4 -8 0 61.85 2.46 4 8 0 59.38 2.48 4 8 0 61.67 2.40 -5 -8 0 0.08 0.43 -5 -8 0 -0.26 0.39 5 8 0 0.07 0.35 5 8 0 0.57 0.47 -6 -8 0 30.93 1.83 -6 -8 0 31.55 1.85 6 8 0 30.95 1.86 6 8 0 26.69 1.58 -7 -8 0 8.28 1.19 -7 -8 0 5.69 1.02 7 8 0 8.58 1.18 9 -9 0 15.99 1.43 -9 9 0 16.98 1.21 8 -9 0 21.29 1.25 8 -9 0 20.83 1.52 -8 9 0 21.34 1.26 7 -9 0 15.70 1.05 7 -9 0 16.13 1.26 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2.14 3 9 0 51.52 2.12 -4 -9 0 11.43 1.19 -4 -9 0 10.09 1.12 4 9 0 8.98 1.09 4 9 0 10.17 1.05 -5 -9 0 22.19 1.53 -5 -9 0 20.88 1.50 5 9 0 22.17 1.42 5 9 0 18.07 1.44 -6 -9 0 0.12 0.52 -6 -9 0 0.03 0.57 6 9 0 0.33 0.54 9 -10 0 5.02 0.95 9 -10 0 4.47 0.73 -9 10 0 6.87 0.89 8 -10 0 8.34 1.15 8 -10 0 7.47 0.89 -8 10 0 6.86 0.84 7 -10 0 39.41 1.80 7 -10 0 38.63 2.02 -7 10 0 38.29 1.71 6 -10 0 30.36 1.65 6 -10 0 25.87 1.28 6 -10 0 26.42 1.44 -6 10 0 27.33 1.32 -6 10 0 28.91 1.39 -6 10 0 28.60 1.28 5 -10 0 64.59 2.49 5 -10 0 73.58 2.68 5 -10 0 66.04 2.34 -5 10 0 65.03 2.40 -5 10 0 71.70 2.39 4 -10 0 2.57 0.57 4 -10 0 3.07 0.58 4 -10 0 2.57 0.48 4 -10 0 2.06 0.46 -4 10 0 2.48 0.46 -4 10 0 3.42 0.57 3 -10 0 41.43 1.72 3 -10 0 39.68 1.72 3 -10 0 39.42 1.78 3 -10 0 40.14 1.63 -3 10 0 40.07 1.76 -3 10 0 44.79 1.68 2 -10 0 0.69 0.37 2 -10 0 1.29 0.39 2 -10 0 1.77 0.46 -2 10 0 1.25 0.43 -2 10 0 2.00 0.45 1 -10 0 39.41 1.68 1 -10 0 35.82 1.56 1 -10 0 33.79 1.67 -1 10 0 36.86 1.69 -1 10 0 37.71 1.59 -1 10 0 38.68 1.54 0 -10 0 30.25 1.42 0 -10 0 29.39 1.55 0 -10 0 30.04 1.45 0 10 0 31.07 1.44 0 10 0 32.82 1.56 -1 -10 0 29.30 1.58 -1 -10 0 32.51 1.48 -1 -10 0 31.40 1.49 1 10 0 29.09 1.48 1 10 0 30.26 1.56 -2 -10 0 37.13 1.73 -2 -10 0 36.60 1.85 -2 -10 0 38.75 1.68 2 10 0 37.23 1.80 2 10 0 40.85 1.86 -3 -10 0 9.42 1.03 -3 -10 0 9.95 1.11 3 10 0 9.97 1.08 3 10 0 10.40 1.06 -4 -10 0 16.15 1.33 -4 -10 0 14.07 1.34 4 10 0 15.51 1.21 4 10 0 16.66 1.33 -5 -10 0 0.33 0.58 -5 -10 0 -0.32 0.42 5 10 0 -0.27 0.45 9 -11 0 20.23 1.67 9 -11 0 21.41 1.40 -9 11 0 19.54 1.35 8 -11 0 18.41 1.30 8 -11 0 18.46 1.52 7 -11 0 26.63 1.71 7 -11 0 25.40 1.51 -7 11 0 27.88 1.45 6 -11 0 42.81 2.07 6 -11 0 38.94 1.89 -6 11 0 41.31 1.79 -6 11 0 42.89 1.80 5 -11 0 18.49 1.11 5 -11 0 20.16 1.29 5 -11 0 19.43 1.32 -5 11 0 17.69 1.15 -5 11 0 18.17 1.09 4 -11 0 67.05 2.53 4 -11 0 70.69 2.50 4 -11 0 72.78 2.73 4 -11 0 74.25 2.68 -4 11 0 72.05 2.65 -4 11 0 72.33 2.51 3 -11 0 1.13 0.44 3 -11 0 1.45 0.44 3 -11 0 1.48 0.45 3 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3.24 0.61 4 -12 0 4.38 0.77 4 -12 0 3.85 0.68 -4 12 0 4.76 0.77 -4 12 0 4.02 0.64 3 -12 0 52.83 2.11 3 -12 0 51.67 2.26 3 -12 0 56.07 2.33 -3 12 0 52.63 2.11 -3 12 0 54.55 2.31 2 -12 0 0.21 0.34 2 -12 0 0.25 0.40 2 -12 0 -0.09 0.35 -2 12 0 0.10 0.35 -2 12 0 0.39 0.40 1 -12 0 63.03 2.38 1 -12 0 65.09 2.53 1 -12 0 61.33 2.58 -1 12 0 62.21 2.55 -1 12 0 62.29 2.39 0 -12 0 6.88 0.94 0 -12 0 5.67 0.77 0 -12 0 5.83 0.79 0 12 0 6.19 0.80 0 12 0 5.25 0.82 -1 -12 0 49.58 2.09 -1 -12 0 46.90 2.04 -1 -12 0 48.11 2.27 1 12 0 52.39 2.29 1 12 0 48.68 2.13 -2 -12 0 21.48 1.33 -2 -12 0 19.72 1.49 -2 -12 0 21.75 1.38 2 12 0 19.39 1.41 2 12 0 20.93 1.43 -3 -12 0 19.16 1.39 -3 -12 0 18.51 1.50 3 12 0 17.44 1.41 3 12 0 21.37 1.50 7 -13 0 23.71 1.68 7 -13 0 21.58 1.54 6 -13 0 14.97 1.42 -6 13 0 15.20 1.21 5 -13 0 14.77 1.16 5 -13 0 15.49 1.23 5 -13 0 14.88 1.42 -5 13 0 16.79 1.26 4 -13 0 19.57 1.38 4 -13 0 22.14 1.48 -4 13 0 23.08 1.46 3 -13 0 2.80 0.69 3 -13 0 1.69 0.60 -3 13 0 2.67 0.67 2 -13 0 31.20 1.72 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0.72 0 14 -1 22.39 1.57 0 -14 1 22.58 1.49 0 -14 1 24.48 1.66 -1 14 -1 -0.28 0.42 1 -14 1 -0.41 0.43 1 -14 1 0.03 0.43 -2 14 -1 34.33 1.92 2 -14 1 32.62 1.90 2 -14 1 39.16 1.97 -3 14 -1 6.51 0.94 3 -14 1 6.75 0.97 3 -14 1 7.09 1.02 -4 14 -1 10.07 1.16 4 -14 1 14.23 1.38 4 -14 1 10.28 1.15 -5 14 -1 18.31 1.42 5 -14 1 17.65 1.44 -6 14 -1 7.10 0.98 6 -14 1 7.81 1.11 6 -14 1 8.28 1.15 2 13 -1 6.80 1.00 2 13 -1 8.24 1.04 -2 -13 1 7.37 0.96 -2 -13 1 8.83 1.15 1 13 -1 31.38 1.82 1 13 -1 32.66 1.74 -1 -13 1 31.95 1.72 -1 -13 1 31.79 1.86 0 13 -1 3.99 0.76 0 -13 1 5.20 0.80 0 -13 1 4.46 0.80 -1 13 -1 30.85 1.76 1 -13 1 31.55 1.71 1 -13 1 31.15 1.78 -2 13 -1 4.14 0.78 2 -13 1 4.44 0.75 2 -13 1 4.42 0.79 -3 13 -1 26.02 1.58 3 -13 1 23.26 1.52 3 -13 1 25.79 1.58 -4 13 -1 6.71 0.97 4 -13 1 7.13 0.93 4 -13 1 6.32 0.93 -5 13 -1 22.88 1.47 5 -13 1 22.01 1.52 5 -13 1 22.79 1.48 -6 13 -1 23.68 1.49 6 -13 1 25.84 1.66 6 -13 1 24.90 1.64 7 -13 1 10.76 1.29 7 -13 1 11.33 1.24 4 12 -1 19.09 1.45 4 12 -1 16.88 1.48 -4 -12 1 20.41 1.62 3 12 -1 26.51 1.70 3 12 -1 26.96 1.67 -3 -12 1 31.96 1.89 2 12 -1 25.25 1.54 2 12 -1 25.62 1.57 -2 -12 1 24.40 1.42 -2 -12 1 23.12 1.60 1 12 -1 7.96 1.01 1 12 -1 9.98 1.04 -1 -12 1 9.67 1.15 -1 -12 1 10.59 1.06 0 12 -1 38.41 1.79 0 12 -1 42.79 1.98 0 -12 1 37.94 1.84 0 -12 1 37.78 1.92 -1 12 -1 1.50 0.53 1 -12 1 1.63 0.57 1 -12 1 1.89 0.54 -2 12 -1 73.25 2.80 2 -12 1 68.01 2.72 2 -12 1 73.67 2.78 -3 12 -1 1.01 0.47 3 -12 1 0.61 0.45 3 -12 1 0.57 0.44 -4 12 -1 38.02 1.88 4 -12 1 42.27 1.86 4 -12 1 39.81 1.88 4 -12 1 40.91 1.97 -5 12 -1 8.32 0.93 5 -12 1 10.55 1.15 5 -12 1 9.65 1.12 -6 12 -1 29.51 1.55 6 -12 1 28.32 1.67 6 -12 1 30.77 1.79 7 -12 1 27.66 1.79 7 -12 1 27.77 1.64 8 -12 1 8.58 1.07 8 -12 1 8.49 1.23 5 11 -1 1.67 0.65 5 11 -1 1.47 0.65 -5 -11 1 2.54 0.77 -5 -11 1 2.17 0.91 4 11 -1 25.42 1.68 4 11 -1 26.01 1.61 -4 -11 1 26.09 1.67 -4 -11 1 28.25 1.78 3 11 -1 14.67 1.19 3 11 -1 13.43 1.18 -3 -11 1 14.87 1.46 -3 -11 1 13.75 1.13 2 11 -1 37.61 1.87 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26.65 1.53 8 3 -9 27.00 1.58 8 3 -9 25.96 1.75 -8 -3 9 26.96 1.56 -8 -3 9 26.47 1.44 -8 -3 9 30.76 1.47 7 3 -9 -0.13 0.34 7 3 -9 -0.47 0.38 7 3 -9 0.34 0.35 -7 -3 9 0.38 0.35 -7 -3 9 0.24 0.35 -7 -3 9 0.65 0.36 6 3 -9 71.24 2.79 6 3 -9 73.78 2.50 6 3 -9 75.65 2.60 6 3 -9 67.69 2.58 -6 -3 9 70.10 2.35 -6 -3 9 76.58 2.49 -6 -3 9 70.03 2.53 5 3 -9 2.14 0.44 5 3 -9 1.47 0.47 5 3 -9 3.08 0.57 5 3 -9 2.63 0.47 -5 -3 9 2.33 0.38 -5 -3 9 2.16 0.41 -5 -3 9 1.85 0.41 4 3 -9 52.18 1.90 4 3 -9 55.11 2.14 4 3 -9 54.20 1.95 4 3 -9 52.29 2.02 -4 -3 9 54.37 1.88 -4 -3 9 55.70 1.71 -4 -3 9 54.78 1.91 3 3 -9 24.19 0.89 3 3 -9 22.55 1.15 3 3 -9 21.52 1.04 3 3 -9 23.85 1.23 -3 -3 9 24.13 1.13 -3 -3 9 23.18 1.04 -3 -3 9 25.55 1.05 2 3 -9 23.89 1.16 2 3 -9 21.30 0.88 2 3 -9 24.06 1.05 2 3 -9 24.80 1.19 -2 -3 9 24.72 0.97 -2 -3 9 24.31 0.77 -2 -3 9 23.55 1.01 -2 -3 9 23.71 1.13 1 3 -9 75.95 2.54 1 3 -9 79.72 2.30 1 3 -9 79.81 2.54 1 3 -9 75.35 2.39 -1 -3 9 78.24 2.54 -1 -3 9 76.16 2.32 -1 -3 9 78.57 2.21 -1 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45.68 1.73 2 2 -9 44.97 1.70 -2 -2 9 47.53 1.51 -2 -2 9 46.50 1.70 -2 -2 9 45.96 1.55 -2 -2 9 47.69 1.35 1 2 -9 26.11 0.82 1 2 -9 25.02 1.01 1 2 -9 26.30 0.98 1 2 -9 26.16 1.07 1 2 -9 24.45 1.14 1 2 -9 26.60 1.20 -1 -2 9 26.24 0.82 -1 -2 9 27.09 0.93 -1 -2 9 26.59 1.01 -1 -2 9 25.44 1.16 0 2 -9 91.37 2.61 0 2 -9 89.22 2.67 0 2 -9 89.73 2.38 0 2 -9 89.57 2.77 0 2 -9 91.09 2.86 0 -2 9 89.60 2.39 0 -2 9 89.84 2.53 0 -2 9 88.54 2.74 0 -2 9 91.19 2.87 -1 2 -9 3.19 0.39 -1 2 -9 3.43 0.46 -1 2 -9 3.72 0.38 -1 2 -9 3.27 0.41 1 -2 9 4.22 0.34 1 -2 9 4.28 0.51 1 -2 9 4.14 0.59 1 -2 9 4.10 0.23 -2 2 -9 144.70 4.13 -2 2 -9 138.20 3.92 -2 2 -9 142.68 4.02 -2 2 -9 141.24 4.04 2 -2 9 141.69 4.03 2 -2 9 146.73 3.80 2 -2 9 143.53 4.25 2 -2 9 149.20 4.12 -3 2 -9 0.03 0.20 -3 2 -9 0.18 0.23 -3 2 -9 -0.05 0.08 3 -2 9 -0.03 0.21 3 -2 9 0.20 0.23 3 -2 9 0.13 0.20 -4 2 -9 79.73 2.71 -4 2 -9 82.81 2.68 -4 2 -9 83.97 2.63 4 -2 9 83.08 2.70 4 -2 9 84.14 2.75 4 -2 9 81.83 2.76 -5 2 -9 16.89 1.01 -5 2 -9 17.13 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1.47 5 0 -19 1.51 0.55 5 0 -19 1.95 0.74 5 0 -19 0.79 0.55 -5 0 19 2.13 0.59 -5 0 19 2.08 0.60 -5 0 19 2.28 0.75 4 0 -19 21.22 1.33 4 0 -19 20.00 1.59 4 0 -19 21.46 1.49 -4 0 19 20.24 1.47 -4 0 19 20.85 1.36 -4 0 19 21.18 1.61 3 0 -19 0.14 0.35 3 0 -19 -0.40 0.36 3 0 -19 0.15 0.52 -3 0 19 0.65 0.44 -3 0 19 -0.05 0.43 -3 0 19 -0.07 0.35 -3 0 19 0.22 0.54 2 0 -19 29.78 1.89 2 0 -19 29.24 1.67 2 0 -19 29.65 1.57 -2 0 19 29.23 1.68 -2 0 19 27.90 1.84 -2 0 19 29.26 1.59 1 0 -19 6.96 1.09 1 0 -19 8.17 0.96 1 0 -19 8.57 0.92 1 0 -19 5.94 0.88 -1 0 19 6.65 0.92 -1 0 19 8.04 0.93 -1 0 19 9.37 1.04 -1 0 19 6.23 1.05 0 0 -19 24.75 1.44 0 0 -19 23.74 1.49 0 0 -19 27.08 1.60 0 0 19 25.70 1.52 0 0 19 25.55 1.54 0 0 19 26.01 1.60 -1 0 -19 7.87 1.03 -1 0 -19 7.03 0.91 1 0 19 9.52 1.13 1 0 19 6.53 0.91 1 0 19 9.06 1.10 -2 0 -19 15.22 1.23 -2 0 -19 15.25 1.45 2 0 19 15.68 1.47 2 0 19 10.58 1.19 2 0 19 11.32 1.23 6 -1 -19 4.44 0.90 6 -1 -19 4.97 0.99 6 -1 -19 4.01 0.75 -6 1 19 4.51 0.83 -6 1 19 3.49 0.72 -6 1 19 4.23 0.95 5 -1 -19 24.19 1.75 5 -1 -19 24.48 1.61 5 -1 -19 24.19 1.47 -5 1 19 21.71 1.42 -5 1 19 22.14 1.46 -5 1 19 22.93 1.69 4 -1 -19 0.98 0.47 4 -1 -19 0.01 0.51 -4 1 19 0.72 0.60 -4 1 19 0.36 0.43 -4 1 19 0.73 0.52 3 -1 -19 39.26 1.80 -3 1 19 41.69 2.20 -3 1 19 40.20 1.99 -3 1 19 39.80 1.82 2 -1 -19 0.07 0.50 2 -1 -19 0.04 0.33 -2 1 19 0.25 0.50 -2 1 19 0.25 0.40 -2 1 19 0.16 0.46 1 -1 -19 40.26 1.94 1 -1 -19 39.51 1.86 1 -1 -19 43.53 2.02 -1 1 19 43.56 1.94 -1 1 19 39.50 1.96 -1 1 19 40.18 1.93 0 -1 -19 7.26 0.92 0 -1 -19 6.67 0.93 0 -1 -19 6.17 0.90 0 1 19 6.46 0.92 0 1 19 6.63 0.89 0 1 19 6.53 0.92 -1 -1 -19 27.02 1.65 -1 -1 -19 27.61 1.61 1 1 19 26.97 1.68 1 1 19 26.47 1.61 1 1 19 27.61 1.65 6 -2 -19 9.06 1.06 6 -2 -19 10.78 1.36 -6 2 19 11.24 1.18 -6 2 19 10.27 1.14 -6 2 19 8.85 1.21 5 -2 -19 11.36 1.36 5 -2 -19 13.72 1.14 5 -2 -19 12.03 1.19 -5 2 19 13.16 1.45 -5 2 19 9.31 1.05 -5 2 19 10.96 1.11 4 -2 -19 20.76 1.64 4 -2 -19 21.84 2.21 -4 2 19 19.51 1.55 -4 2 19 20.24 1.30 -4 2 19 19.10 1.88 3 -2 -19 2.64 0.72 3 -2 -19 3.62 0.83 -3 2 19 2.60 0.72 -3 2 19 2.86 0.77 -3 2 19 3.13 0.88 1 -2 -19 0.37 0.40 1 -2 -19 0.42 0.37 -1 2 19 0.03 0.39 -1 2 19 -0.24 0.36 0 -2 -19 35.16 1.87 0 -2 -19 37.96 1.88 0 2 19 38.43 1.93 0 2 19 38.69 1.94 -1 -2 -19 5.82 0.88 -1 -2 -19 7.70 1.06 1 2 19 4.32 0.81 1 2 19 4.55 0.81 5 -3 -19 15.06 1.22 5 -3 -19 16.59 1.25 5 -3 -19 13.33 1.48 -5 3 19 14.45 1.20 -5 3 19 15.43 1.25 -5 3 19 16.08 1.42 4 -3 -19 6.06 0.84 4 -3 -19 7.58 1.14 4 -3 -19 4.79 0.76 -4 3 19 5.20 0.96 -4 3 19 5.18 0.80 -4 3 19 6.40 0.86 1 -3 -19 40.87 1.93 1 -3 -19 39.95 1.94 -1 3 19 37.81 1.95 -1 3 19 39.09 1.93 0 -3 -19 0.58 0.46 0 -3 -19 0.65 0.46 0 3 19 0.74 0.52 0 3 19 1.17 0.58 5 -4 -19 14.77 1.36 5 -4 -19 13.63 1.18 5 -4 -19 13.91 1.51 -5 4 19 13.01 1.29 -5 4 19 15.35 1.37 -5 4 19 15.01 1.26 4 -4 -19 22.70 1.44 4 -4 -19 24.75 1.47 -4 4 19 23.54 1.45 -4 4 19 22.24 1.43 1 -4 -19 -0.07 0.35 -1 4 19 -0.34 0.37 2 6 -20 14.53 1.26 2 6 -20 9.14 1.29 -2 -6 20 15.30 1.41 -2 -6 20 14.54 1.54 -2 -6 20 11.01 1.52 1 6 -20 2.81 0.65 1 6 -20 2.26 0.75 1 6 -20 2.69 0.75 -1 -6 20 3.56 0.77 -1 -6 20 2.70 0.92 -1 -6 20 3.26 0.78 0 6 -20 16.91 1.27 0 6 -20 16.02 1.64 0 6 -20 16.07 1.36 0 -6 20 17.05 1.47 0 -6 20 15.91 1.78 3 5 -20 5.90 0.90 3 5 -20 5.34 1.04 3 5 -20 5.88 1.07 -3 -5 20 4.95 1.06 -3 -5 20 5.63 0.91 2 5 -20 13.12 1.28 2 5 -20 11.69 1.40 2 5 -20 15.98 1.76 -2 -5 20 13.41 1.27 -2 -5 20 15.16 1.72 1 5 -20 18.11 1.54 1 5 -20 17.08 1.20 1 5 -20 16.73 1.34 -1 -5 20 16.79 1.86 -1 -5 20 17.31 1.68 0 5 -20 4.34 0.91 0 5 -20 4.27 0.74 0 5 -20 4.50 0.83 0 -5 20 6.00 1.06 0 -5 20 4.92 1.05 -1 5 -20 15.05 1.53 -1 5 -20 15.49 1.20 -1 5 -20 15.39 1.33 1 -5 20 11.89 1.57 1 -5 20 13.28 1.48 1 -5 20 12.00 1.28 4 4 -20 1.73 0.70 4 4 -20 1.79 0.61 4 4 -20 2.07 0.80 -4 -4 20 1.25 0.58 -4 -4 20 3.02 0.93 3 4 -20 18.91 1.60 3 4 -20 14.26 1.60 3 4 -20 18.58 1.35 -3 -4 20 18.28 1.85 -3 -4 20 20.83 1.40 -3 -4 20 17.81 1.55 2 4 -20 12.29 1.47 2 4 -20 11.82 1.38 2 4 -20 11.07 1.17 -2 -4 20 12.04 1.17 -2 -4 20 12.81 1.57 -2 -4 20 11.86 1.38 1 4 -20 9.04 1.14 1 4 -20 10.29 1.01 1 4 -20 10.22 1.10 -1 -4 20 8.16 1.16 -1 -4 20 9.98 1.44 0 4 -20 13.21 1.25 0 4 -20 12.45 1.35 0 4 -20 14.23 1.25 0 -4 20 14.93 1.50 0 -4 20 13.84 1.40 0 -4 20 14.81 1.65 -1 4 -20 5.81 1.02 -1 4 -20 5.73 0.85 -1 4 -20 4.46 0.82 1 -4 20 4.50 0.89 1 -4 20 5.67 1.08 1 -4 20 5.01 0.86 4 3 -20 23.42 1.81 4 3 -20 24.49 1.77 4 3 -20 20.64 1.40 -4 -3 20 20.14 1.43 -4 -3 20 22.80 1.82 3 3 -20 6.64 1.18 3 3 -20 9.46 1.11 3 3 -20 10.40 1.27 -3 -3 20 8.23 1.14 -3 -3 20 9.67 1.35 -3 -3 20 7.80 1.00 2 3 -20 15.12 1.25 2 3 -20 17.51 1.44 2 3 -20 16.36 1.69 -2 -3 20 15.11 1.53 -2 -3 20 15.99 1.74 -2 -3 20 15.30 1.15 1 3 -20 12.65 1.25 1 3 -20 13.40 1.05 1 3 -20 14.73 1.46 -1 -3 20 12.44 1.49 -1 -3 20 12.53 1.39 0 3 -20 13.20 1.28 0 3 -20 14.07 1.13 0 3 -20 11.82 1.30 0 -3 20 11.68 1.27 0 -3 20 12.47 1.49 0 -3 20 10.67 1.16 -1 3 -20 20.49 1.40 -1 3 -20 25.73 1.68 -1 3 -20 21.92 1.50 1 -3 20 19.56 1.53 1 -3 20 22.41 1.81 1 -3 20 21.40 1.53 5 2 -20 35.49 2.13 5 2 -20 32.86 2.16 -5 -2 20 33.52 1.83 -5 -2 20 32.78 2.15 4 2 -20 -0.01 0.46 4 2 -20 -0.22 0.53 4 2 -20 -0.22 0.37 -4 -2 20 0.52 0.58 -4 -2 20 0.14 0.44 -4 -2 20 0.01 0.58 3 2 -20 27.04 1.92 3 2 -20 27.77 1.59 3 2 -20 26.49 1.78 -3 -2 20 25.96 1.74 -3 -2 20 26.81 1.56 -3 -2 20 26.01 1.90 2 2 -20 4.90 0.86 2 2 -20 6.07 1.11 2 2 -20 4.65 0.80 -2 -2 20 4.19 0.83 -2 -2 20 4.30 0.97 1 2 -20 23.46 1.49 1 2 -20 23.98 1.62 1 2 -20 27.14 1.48 -1 -2 20 24.67 1.57 -1 -2 20 22.08 1.58 -1 -2 20 23.17 1.80 0 2 -20 18.74 1.29 0 2 -20 16.48 1.37 0 2 -20 18.62 1.36 0 -2 20 16.78 1.35 0 -2 20 14.64 1.63 0 -2 20 17.33 1.40 -1 2 -20 6.52 0.92 -1 2 -20 5.76 0.95 -1 2 -20 6.71 0.98 1 -2 20 6.52 1.01 1 -2 20 6.88 1.02 5 1 -20 3.81 0.88 5 1 -20 3.04 0.87 5 1 -20 3.49 0.73 -5 -1 20 3.60 0.88 -5 -1 20 4.29 0.80 4 1 -20 20.86 1.40 4 1 -20 19.96 1.54 4 1 -20 22.81 1.78 -4 -1 20 20.94 1.69 -4 -1 20 19.86 1.58 -4 -1 20 21.75 1.43 3 1 -20 0.57 0.43 3 1 -20 1.33 0.71 3 1 -20 0.35 0.46 -3 -1 20 0.85 0.49 -3 -1 20 0.48 0.58 -3 -1 20 0.34 0.54 2 1 -20 16.17 1.22 2 1 -20 19.65 1.43 2 1 -20 19.64 1.63 -2 -1 20 14.88 1.66 -2 -1 20 17.35 1.30 -2 -1 20 17.35 1.40 1 1 -20 5.71 0.91 1 1 -20 7.13 0.93 1 1 -20 5.11 0.76 1 1 -20 5.85 1.06 -1 -1 20 6.22 0.89 -1 -1 20 4.91 1.06 -1 -1 20 3.38 0.76 0 1 -20 11.71 1.14 0 1 -20 10.87 1.15 0 1 -20 8.80 1.09 0 -1 20 10.17 1.13 0 -1 20 11.19 1.24 -1 1 -20 4.94 0.80 -1 1 -20 6.08 0.96 -1 1 -20 5.90 0.91 1 -1 20 7.29 1.01 1 -1 20 6.22 0.98 5 0 -20 19.62 1.41 5 0 -20 25.10 1.85 5 0 -20 20.27 1.58 -5 0 20 20.48 1.69 -5 0 20 24.98 1.53 4 0 -20 0.32 0.57 4 0 -20 -0.21 0.41 4 0 -20 -0.14 0.46 -4 0 20 0.08 0.42 -4 0 20 0.05 0.56 -4 0 20 -0.39 0.43 3 0 -20 16.19 1.86 3 0 -20 14.81 1.60 3 0 -20 13.32 1.12 3 0 -20 12.29 1.28 -3 0 20 10.67 1.27 -3 0 20 11.53 1.23 -3 0 20 14.88 1.60 -3 0 20 13.20 1.07 2 0 -20 1.73 0.54 2 0 -20 1.44 0.64 2 0 -20 0.31 0.42 -2 0 20 0.49 0.51 -2 0 20 0.42 0.48 -2 0 20 1.50 0.71 1 0 -20 19.31 1.35 1 0 -20 19.43 1.28 1 0 -20 19.71 1.38 -1 0 20 18.95 1.40 -1 0 20 18.16 1.27 -1 0 20 18.25 1.34 0 0 -20 4.83 0.79 0 0 -20 5.06 0.86 0 0 -20 4.20 0.79 0 0 20 4.66 0.86 0 0 20 4.31 0.83 0 0 20 5.47 0.84 5 -1 -20 3.32 0.76 5 -1 -20 3.12 0.84 5 -1 -20 3.59 0.71 -5 1 20 3.07 0.72 -5 1 20 3.79 0.96 4 -1 -20 16.74 1.37 4 -1 -20 16.70 1.24 4 -1 -20 18.17 1.59 -4 1 20 15.09 1.31 -4 1 20 14.31 1.58 -4 1 20 17.10 1.27 3 -1 -20 0.02 0.40 3 -1 -20 -0.02 0.51 -3 1 20 0.03 0.54 -3 1 20 -0.35 0.41 2 -1 -20 22.71 1.42 2 -1 -20 20.05 1.40 -2 1 20 22.72 1.46 -2 1 20 22.05 1.48 1 -1 -20 2.58 0.63 1 -1 -20 2.06 0.62 1 -1 -20 2.21 0.57 -1 1 20 3.28 0.74 -1 1 20 3.25 0.68 -1 1 20 3.16 0.72 0 -1 -20 19.14 1.38 0 -1 -20 19.77 1.44 0 -1 -20 20.39 1.42 0 1 20 24.03 1.55 0 1 20 18.73 1.41 4 -2 -20 0.27 0.58 4 -2 -20 1.45 0.53 -4 2 20 0.34 0.58 -4 2 20 1.20 0.51 1 -2 -20 23.31 1.49 1 -2 -20 23.47 1.48 -1 2 20 26.65 1.57 -1 2 20 23.70 1.51 2 3 -21 18.30 1.37 2 3 -21 17.44 1.83 2 3 -21 18.83 1.54 -2 -3 21 16.53 1.80 -2 -3 21 18.48 1.54 2 2 -21 21.87 1.80 2 2 -21 18.39 1.50 2 2 -21 18.26 1.39 -2 -2 21 18.69 1.94 -2 -2 21 20.47 1.57 1 2 -21 15.48 1.27 1 2 -21 13.30 1.39 -1 -2 21 14.75 1.71 -1 -2 21 14.93 1.50 -1 -2 21 16.68 1.36 3 1 -21 13.99 1.58 3 1 -21 12.48 1.35 3 1 -21 11.80 1.19 -3 -1 21 13.13 1.28 -3 -1 21 12.85 1.35 2 1 -21 7.22 0.96 2 1 -21 8.15 1.09 2 1 -21 7.48 1.23 -2 -1 21 6.37 1.18 -2 -1 21 6.12 0.95 -2 -1 21 6.09 1.01 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 54351 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 _atom_site_refinement_flags_adp O1 O -0.0321(2) -0.26881(17) 0.16377(12) 0.0204(4) Uani 1 1 d . . Ir1 Ir 0.22151(2) -0.23387(2) 0.23239(2) 0.01461(4) Uani 1 1 d . . N1 N 0.1667(3) -0.2602(2) 0.34472(14) 0.0168(4) Uani 1 1 d . . N2 N 0.2843(3) -0.1932(2) 0.12346(14) 0.0167(4) Uani 1 1 d . . N3 N 0.2028(3) -0.4202(2) 0.20415(14) 0.0181(5) Uani 1 1 d . . C1 C 0.0805(4) -0.6236(3) 0.1285(2) 0.0301(7) Uani 1 1 d . . H1A H 0.1953 -0.6303 0.1330 0.045 Uiso 1 1 calc R U H1B H 0.0149 -0.6578 0.0716 0.045 Uiso 1 1 calc R U H1C H 0.0302 -0.6660 0.1690 0.045 Uiso 1 1 calc R U C2 C 0.0824(4) -0.4954(2) 0.14679(18) 0.0217(6) Uani 1 1 d . . C3 C -0.0549(4) -0.4643(3) 0.09866(19) 0.0257(6) Uani 1 1 d . . H3 H -0.1195 -0.5215 0.0516 0.031 Uiso 1 1 calc R U C4 C -0.1073(4) -0.3627(3) 0.11072(17) 0.0219(6) Uani 1 1 d . . C5 C -0.2717(4) -0.3585(3) 0.0575(2) 0.0318(7) Uani 1 1 d . . H5A H -0.3433 -0.3372 0.0940 0.048 Uiso 1 1 calc R U H5B H -0.3274 -0.4360 0.0232 0.048 Uiso 1 1 calc R U H5C H -0.2511 -0.2996 0.0209 0.048 Uiso 1 1 calc R U C11 C 0.0099(4) -0.3174(3) 0.35104(18) 0.0220(6) Uani 1 1 d . . H11 H -0.0766 -0.3425 0.3017 0.026 Uiso 1 1 calc R U C12 C -0.0263(4) -0.3395(3) 0.42532(18) 0.0253(6) Uani 1 1 d . . H12 H -0.1328 -0.3874 0.4270 0.030 Uiso 1 1 calc R U C13 C 0.0957(4) -0.2908(3) 0.50051(18) 0.0225(6) Uani 1 1 d . . C14 C 0.0585(4) -0.3012(3) 0.57993(19) 0.0298(7) Uani 1 1 d . . H14 H -0.0462 -0.3497 0.5834 0.036 Uiso 1 1 calc R U C15 C 0.1714(4) -0.2424(3) 0.65179(19) 0.0330(7) Uani 1 1 d . . H15 H 0.1463 -0.2517 0.7049 0.040 Uiso 1 1 calc R U C16 C 0.3251(4) -0.1682(3) 0.64687(19) 0.0287(7) Uani 1 1 d . . H16 H 0.4011 -0.1244 0.6968 0.034 Uiso 1 1 calc R U C17 C 0.3661(4) -0.1583(3) 0.57079(18) 0.0240(6) Uani 1 1 d . . H17 H 0.4699 -0.1072 0.5687 0.029 Uiso 1 1 calc R U C18 C 0.2561(4) -0.2232(2) 0.49523(17) 0.0189(5) Uani 1 1 d . . C19 C 0.2931(3) -0.2209(2) 0.41339(16) 0.0170(5) Uani 1 1 d . . C21 C 0.4498(3) -0.1887(2) 0.30501(17) 0.0174(5) Uani 1 1 d . . C22 C 0.6024(4) -0.1619(3) 0.27956(18) 0.0221(6) Uani 1 1 d . . H22 H 0.6010 -0.1652 0.2215 0.026 Uiso 1 1 calc R U C23 C 0.7547(4) -0.1310(3) 0.3366(2) 0.0266(6) Uani 1 1 d . . H23 H 0.8556 -0.1112 0.3174 0.032 Uiso 1 1 calc R U C24 C 0.7608(4) -0.1288(3) 0.4218(2) 0.0284(7) Uani 1 1 d . . H24 H 0.8654 -0.1079 0.4608 0.034 Uiso 1 1 calc R U C25 C 0.6131(4) -0.1573(3) 0.44959(18) 0.0239(6) Uani 1 1 d . . H25 H 0.6171 -0.1589 0.5075 0.029 Uiso 1 1 calc R U C26 C 0.4573(3) -0.1839(2) 0.39267(17) 0.0188(5) Uani 1 1 d . . C31 C 0.2650(3) -0.0896(2) 0.10258(16) 0.0167(5) Uani 1 1 d . . C32 C 0.3355(3) -0.2682(2) 0.07055(17) 0.0198(5) Uani 1 1 d . . H32 H 0.3521 -0.3393 0.0875 0.024 Uiso 1 1 calc R U C33 C 0.3634(4) -0.2448(3) -0.00530(17) 0.0211(6) Uani 1 1 d . . H33 H 0.4103 -0.2943 -0.0377 0.025 Uiso 1 1 calc R U C34 C 0.3219(3) -0.1458(2) -0.03550(17) 0.0190(5) Uani 1 1 d . . C35 C 0.3226(4) -0.1277(3) -0.11866(18) 0.0249(6) Uani 1 1 d . . H35 H 0.3668 -0.1764 -0.1533 0.030 Uiso 1 1 calc R U C36 C 0.2607(4) -0.0411(3) -0.15005(18) 0.0275(7) Uani 1 1 d . . H36 H 0.2610 -0.0306 -0.2064 0.033 Uiso 1 1 calc R U C37 C 0.1965(4) 0.0323(3) -0.09914(18) 0.0252(6) Uani 1 1 d . . H37 H 0.1499 0.0905 -0.1218 0.030 Uiso 1 1 calc R U C38 C 0.2006(4) 0.0205(3) -0.01673(18) 0.0213(6) Uani 1 1 d . . H38 H 0.1597 0.0724 0.0173 0.026 Uiso 1 1 calc R U C39 C 0.2651(3) -0.0682(2) 0.01841(17) 0.0185(5) Uani 1 1 d . . C41 C 0.2224(3) -0.0632(2) 0.24511(17) 0.0173(5) Uani 1 1 d . . C42 C 0.2033(4) 0.0078(3) 0.31496(17) 0.0212(6) Uani 1 1 d . . H42 H 0.1844 -0.0259 0.3631 0.025 Uiso 1 1 calc R U C43 C 0.2112(4) 0.1260(3) 0.31556(18) 0.0256(6) Uani 1 1 d . . H43 H 0.1933 0.1712 0.3629 0.031 Uiso 1 1 calc R U C44 C 0.2452(4) 0.1790(3) 0.24734(19) 0.0272(6) Uani 1 1 d . . H44 H 0.2566 0.2610 0.2492 0.033 Uiso 1 1 calc R U C45 C 0.2624(4) 0.1111(3) 0.17656(18) 0.0231(6) Uani 1 1 d . . H45 H 0.2862 0.1470 0.1299 0.028 Uiso 1 1 calc R U C46 C 0.2448(3) -0.0101(2) 0.17345(17) 0.0184(5) Uani 1 1 d . . C51 C 0.3201(4) -0.4664(2) 0.25689(18) 0.0204(6) Uani 1 1 d . . C52 C 0.4692(4) -0.4757(3) 0.2357(2) 0.0284(7) Uani 1 1 d . . H52 H 0.4946 -0.4524 0.1853 0.034 Uiso 1 1 calc R U C53 C 0.5814(4) -0.5193(3) 0.2884(2) 0.0335(7) Uani 1 1 d . . H53 H 0.6822 -0.5267 0.2732 0.040 Uiso 1 1 calc R U C54 C 0.5469(4) -0.5518(3) 0.3624(2) 0.0344(8) Uani 1 1 d . . H54 H 0.6237 -0.5817 0.3980 0.041 Uiso 1 1 calc R U C55 C 0.4010(4) -0.5407(3) 0.38476(19) 0.0297(7) Uani 1 1 d . . H55 H 0.3782 -0.5619 0.4361 0.036 Uiso 1 1 calc R U C56 C 0.2867(4) -0.4985(3) 0.33200(18) 0.0245(6) Uani 1 1 d . . H56 H 0.1859 -0.4916 0.3474 0.029 Uiso 1 1 calc R U 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 O1 0.0198(10) 0.0195(10) 0.0196(9) 0.0015(8) -0.0001(8) 0.0050(8) Ir1 0.01588(6) 0.01274(6) 0.01409(5) 0.00301(4) 0.00156(4) 0.00258(4) N1 0.0173(11) 0.0160(11) 0.0167(10) 0.0029(9) 0.0033(9) 0.0038(9) N2 0.0175(11) 0.0149(11) 0.0162(10) 0.0034(9) 0.0017(9) 0.0028(9) N3 0.0192(12) 0.0148(11) 0.0192(11) 0.0031(9) 0.0023(9) 0.0038(9) C1 0.0323(17) 0.0176(15) 0.0332(17) 0.0006(12) -0.0047(13) 0.0040(13) C2 0.0259(15) 0.0164(13) 0.0216(13) 0.0047(11) 0.0027(11) 0.0043(11) C3 0.0265(15) 0.0180(14) 0.0240(14) -0.0024(11) -0.0075(12) 0.0026(12) C4 0.0212(14) 0.0214(14) 0.0194(13) 0.0050(11) 0.0007(11) 0.0008(11) C5 0.0262(16) 0.0297(17) 0.0323(17) 0.0013(13) -0.0071(13) 0.0062(13) C11 0.0164(13) 0.0243(15) 0.0223(14) 0.0035(11) 0.0019(11) 0.0019(11) C12 0.0227(15) 0.0269(16) 0.0254(14) 0.0052(12) 0.0067(12) 0.0033(12) C13 0.0251(15) 0.0238(15) 0.0215(14) 0.0062(11) 0.0070(11) 0.0091(12) C14 0.0301(17) 0.0368(18) 0.0262(15) 0.0089(13) 0.0123(13) 0.0095(14) C15 0.0388(19) 0.045(2) 0.0201(14) 0.0077(14) 0.0112(13) 0.0161(16) C16 0.0319(17) 0.0349(18) 0.0189(14) -0.0005(12) 0.0020(12) 0.0130(14) C17 0.0245(15) 0.0250(15) 0.0225(14) 0.0021(12) 0.0029(11) 0.0092(12) C18 0.0227(14) 0.0174(13) 0.0171(12) 0.0034(10) 0.0023(10) 0.0078(11) C19 0.0196(13) 0.0133(12) 0.0172(12) 0.0023(10) 0.0010(10) 0.0049(10) C21 0.0178(13) 0.0125(12) 0.0215(13) 0.0034(10) 0.0015(10) 0.0050(10) C22 0.0235(15) 0.0200(14) 0.0234(14) 0.0068(11) 0.0061(11) 0.0051(12) C23 0.0189(14) 0.0266(16) 0.0345(16) 0.0084(13) 0.0073(12) 0.0040(12) C24 0.0190(15) 0.0314(17) 0.0309(16) 0.0038(13) -0.0011(12) 0.0051(13) C25 0.0209(14) 0.0268(15) 0.0223(14) 0.0034(12) 0.0010(11) 0.0065(12) C26 0.0200(14) 0.0158(13) 0.0183(13) 0.0018(10) 0.0014(10) 0.0027(11) C31 0.0141(12) 0.0159(13) 0.0177(12) 0.0037(10) -0.0002(10) 0.0019(10) C32 0.0220(14) 0.0166(13) 0.0207(13) 0.0027(11) 0.0030(11) 0.0062(11) C33 0.0216(14) 0.0211(14) 0.0206(13) 0.0023(11) 0.0046(11) 0.0066(11) C34 0.0165(13) 0.0198(14) 0.0194(13) 0.0055(11) 0.0034(10) 0.0015(11) C35 0.0268(15) 0.0256(15) 0.0217(14) 0.0043(12) 0.0081(12) 0.0035(12) C36 0.0343(17) 0.0273(16) 0.0187(14) 0.0089(12) 0.0055(12) 0.0019(13) C37 0.0274(15) 0.0213(15) 0.0240(14) 0.0094(12) -0.0003(12) 0.0027(12) C38 0.0216(14) 0.0177(13) 0.0230(14) 0.0052(11) 0.0028(11) 0.0029(11) C39 0.0156(13) 0.0183(13) 0.0191(13) 0.0043(10) 0.0016(10) 0.0009(11) C41 0.0141(12) 0.0158(13) 0.0203(13) 0.0030(10) -0.0003(10) 0.0038(10) C42 0.0205(14) 0.0217(14) 0.0193(13) 0.0018(11) 0.0008(11) 0.0048(11) C43 0.0302(16) 0.0224(15) 0.0224(14) -0.0028(11) -0.0001(12) 0.0115(13) C44 0.0348(17) 0.0161(14) 0.0271(15) 0.0004(12) -0.0038(13) 0.0097(13) C45 0.0282(15) 0.0167(14) 0.0220(14) 0.0050(11) 0.0008(11) 0.0045(12) C46 0.0186(13) 0.0169(13) 0.0179(12) 0.0031(10) 0.0002(10) 0.0044(11) C51 0.0230(14) 0.0101(12) 0.0237(14) 0.0014(10) -0.0013(11) 0.0018(11) C52 0.0256(16) 0.0236(15) 0.0349(17) 0.0090(13) 0.0045(13) 0.0041(13) C53 0.0211(16) 0.0257(16) 0.051(2) 0.0074(15) 0.0011(14) 0.0057(13) C54 0.0313(18) 0.0219(16) 0.0403(18) 0.0063(14) -0.0124(14) 0.0035(13) C55 0.0407(19) 0.0184(15) 0.0244(15) 0.0056(12) -0.0047(13) 0.0055(13) C56 0.0315(16) 0.0166(14) 0.0231(14) 0.0034(11) 0.0017(12) 0.0053(12) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C4 O1 Ir1 123.44(18) C21 Ir1 C41 89.17(11) C21 Ir1 N1 79.72(10) C41 Ir1 N1 96.18(10) C21 Ir1 N2 98.21(10) C41 Ir1 N2 79.60(10) N1 Ir1 N2 175.37(9) C21 Ir1 O1 173.53(9) C41 Ir1 O1 86.13(9) N1 Ir1 O1 96.37(8) N2 Ir1 O1 85.31(8) C21 Ir1 N3 96.47(10) C41 Ir1 N3 173.31(9) N1 Ir1 N3 88.40(9) N2 Ir1 N3 95.97(9) O1 Ir1 N3 88.53(8) C19 N1 C11 121.1(2) C19 N1 Ir1 117.14(18) C11 N1 Ir1 121.78(18) C31 N2 C32 120.2(2) C31 N2 Ir1 116.75(18) C32 N2 Ir1 122.97(18) C2 N3 C51 118.0(2) C2 N3 Ir1 124.09(19) C51 N3 Ir1 117.63(17) N3 C2 C3 123.9(3) N3 C2 C1 121.1(3) C3 C2 C1 115.0(3) C4 C3 C2 129.1(3) O1 C4 C3 127.1(3) O1 C4 C5 114.3(3) C3 C4 C5 118.5(3) C12 C11 N1 122.2(3) C11 C12 C13 119.5(3) C14 C13 C12 121.6(3) C14 C13 C18 119.7(3) C12 C13 C18 118.6(3) C15 C14 C13 120.8(3) C14 C15 C16 119.8(3) C17 C16 C15 120.6(3) C16 C17 C18 121.1(3) C17 C18 C13 117.6(3) C17 C18 C19 124.3(3) C13 C18 C19 118.0(2) N1 C19 C18 119.1(2) N1 C19 C26 112.9(2) C18 C19 C26 128.0(2) C22 C21 C26 117.3(2) C22 C21 Ir1 127.3(2) C26 C21 Ir1 115.4(2) C23 C22 C21 122.0(3) C22 C23 C24 120.3(3) C25 C24 C23 119.7(3) C24 C25 C26 120.6(3) C25 C26 C21 120.1(3) C25 C26 C19 125.8(2) C21 C26 C19 113.8(2) N2 C31 C39 119.7(2) N2 C31 C46 112.6(2) C39 C31 C46 127.7(2) C33 C32 N2 122.6(3) C32 C33 C34 119.4(3) C35 C34 C33 121.9(3) C35 C34 C39 119.6(3) C33 C34 C39 118.3(2) C36 C35 C34 121.0(3) C35 C36 C37 120.1(3) C38 C37 C36 120.5(3) C37 C38 C39 121.1(3) C38 C39 C34 117.6(2) C38 C39 C31 124.0(3) C34 C39 C31 118.2(2) C42 C41 C46 117.3(3) C42 C41 Ir1 128.0(2) C46 C41 Ir1 114.69(19) C43 C42 C41 121.6(3) C42 C43 C44 120.5(3) C45 C44 C43 119.5(3) C44 C45 C46 120.4(3) C45 C46 C41 120.4(3) C45 C46 C31 124.8(3) C41 C46 C31 114.4(2) C52 C51 C56 119.2(3) C52 C51 N3 121.3(3) C56 C51 N3 119.5(3) C51 C52 C53 120.1(3) C54 C53 C52 120.4(3) C55 C54 C53 120.0(3) C54 C55 C56 120.2(3) C51 C56 C55 120.2(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance O1 C4 1.280(3) O1 Ir1 2.145(2) Ir1 C21 1.984(3) Ir1 C41 2.006(3) Ir1 N1 2.029(2) Ir1 N2 2.040(2) Ir1 N3 2.163(2) N1 C19 1.351(3) N1 C11 1.366(4) N2 C31 1.350(3) N2 C32 1.369(3) N3 C2 1.318(4) N3 C51 1.442(4) C1 C2 1.510(4) C2 C3 1.425(4) C3 C4 1.383(4) C4 C5 1.511(4) C11 C12 1.354(4) C12 C13 1.416(4) C13 C14 1.413(4) C13 C18 1.425(4) C14 C15 1.367(5) C15 C16 1.407(5) C16 C17 1.371(4) C17 C18 1.418(4) C18 C19 1.440(4) C19 C26 1.468(4) C21 C22 1.405(4) C21 C26 1.426(4) C22 C23 1.384(4) C23 C24 1.391(4) C24 C25 1.388(4) C25 C26 1.408(4) C31 C39 1.437(4) C31 C46 1.474(4) C32 C33 1.360(4) C33 C34 1.417(4) C34 C35 1.411(4) C34 C39 1.428(4) C35 C36 1.366(4) C36 C37 1.405(4) C37 C38 1.375(4) C38 C39 1.423(4) C41 C42 1.402(4) C41 C46 1.422(4) C42 C43 1.384(4) C43 C44 1.392(4) C44 C45 1.388(4) C45 C46 1.402(4) C51 C52 1.392(4) C51 C56 1.393(4) C52 C53 1.394(5) C53 C54 1.381(5) C54 C55 1.380(5) C55 C56 1.397(4)