#------------------------------------------------------------------------------ #$Date: 2019-11-26 03:22:58 +0200 (Tue, 26 Nov 2019) $ #$Revision: 242503 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/13/25/4132533.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_4132533 loop_ _publ_author_name 'Chan, Alan Kwun-Wa' 'Ng, Maggie' 'Low, Kam-Hung' 'Yam, Vivian Wing-Wah' _publ_section_title ; Versatile Control of Directed Supramolecular Assembly via Subtle Changes of the Rhodium(I) Pincer Building Blocks. ; _journal_issue 26 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 8321 _journal_page_last 8329 _journal_paper_doi 10.1021/jacs.8b04687 _journal_volume 140 _journal_year 2018 _chemical_formula_moiety 'C23 H14 F3 N3 O Rh, C F3 O3 S' _chemical_formula_sum 'C24 H14 F6 N3 O4 Rh S' _chemical_formula_weight 657.35 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 90 _cell_angle_beta 101.468(2) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 17.5481(8) _cell_length_b 20.1172(10) _cell_length_c 13.4385(6) _cell_measurement_reflns_used 423 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 40 _cell_measurement_theta_min 3 _cell_volume 4649.3(4) _computing_cell_refinement 'SAINT v8.34A (Bruker-AXS, 2007)' _computing_data_collection 'APEX3 v2015.5-2 (Bruker-AXS, 2015)' _computing_data_reduction 'SAINT v8.34A (Bruker-AXS, 2007)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT-2014 (Sheldrick, 2014)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 1024 _diffrn_measured_fraction_theta_full 0.983 _diffrn_measured_fraction_theta_max 0.983 _diffrn_measurement_device_type ; 'Bruker D8 VENTURE KAPPA goniometer PHOTON II CMOS' ; _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34138 _diffrn_reflns_av_R_equivalents 0.0772 _diffrn_reflns_av_unetI/netI 0.0796 _diffrn_reflns_Laue_measured_fraction_full 0.983 _diffrn_reflns_Laue_measured_fraction_max 0.983 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 15097 _diffrn_reflns_point_group_measured_fraction_full 0.983 _diffrn_reflns_point_group_measured_fraction_max 0.983 _diffrn_reflns_theta_full 52.953 _diffrn_reflns_theta_max 52.953 _diffrn_reflns_theta_min 2.941 _diffrn_source 'Excillum MetalJet D2' _exptl_absorpt_coefficient_mu 5.099 _exptl_absorpt_correction_T_max 0.4065 _exptl_absorpt_correction_T_min 0.2194 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS 2014/5 (Sheldrick, 2014)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.878 _exptl_crystal_description needle _exptl_crystal_F_000 2608 _exptl_crystal_size_max 0.040 _exptl_crystal_size_mid 0.010 _exptl_crystal_size_min 0.005 _refine_diff_density_max 1.090 _refine_diff_density_min -0.818 _refine_diff_density_rms 0.104 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 377 _refine_ls_number_reflns 4028 _refine_ls_number_restraints 31 _refine_ls_restrained_S_all 1.037 _refine_ls_R_factor_all 0.0681 _refine_ls_R_factor_gt 0.0493 _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^)+(0.0392P)^2^+2.2457P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0964 _refine_ls_wR_factor_ref 0.1024 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2998 _reflns_number_total 4028 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ja8b04687_si_002.cif _cod_data_source_block ga_CHEM0301. _cod_original_sg_symbol_H-M 'C 2/c' _cod_database_code 4132533 _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 0.822 _shelx_estimated_absorpt_t_max 0.975 _shelx_res_file ; ga_CHEM0301.res created by SHELXL-2014/7 TITL ga_CHEM0301.res in C2/c CELL 1.34138 17.5481 20.1172 13.4385 90.000 101.468 90.000 ZERR 8.00 0.0008 0.0010 0.0006 0.000 0.002 0.000 LATT 7 SYMM -x, y, -z+1/2 SFAC C H N O F S RH UNIT 192 112 24 32 48 8 8 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -173.130 SIZE 0.005 0.010 0.040 ACTA L.S. 40 FMAP 2 PLAN -5 0 0.00 HTAB BOND $H CONF WGHT 0.039200 2.245700 FVAR 0.09342 0.39402 RH1 7 0.539785 0.382884 0.378732 11.00000 0.02298 0.04286 = 0.02252 -0.01083 0.00663 -0.00244 F1 5 0.499038 0.922744 0.496036 11.00000 0.05398 0.04494 = 0.03276 -0.00500 0.00529 0.01971 F2 5 0.579824 0.935127 0.396250 11.00000 0.02910 0.05233 = 0.06684 -0.00238 0.00818 0.00312 F3 5 0.456359 0.931530 0.335645 11.00000 0.03114 0.05133 = 0.03648 0.01292 -0.00284 0.01001 O1 4 0.554532 0.234454 0.399341 11.00000 0.04659 0.04269 = 0.05612 -0.01917 0.02152 -0.00961 N1 3 0.655600 0.405969 0.407421 11.00000 0.02518 0.03726 = 0.02111 -0.01082 0.00606 -0.00277 N2 3 0.535468 0.481115 0.379492 11.00000 0.02011 0.04460 = 0.01596 -0.01046 0.00386 0.00369 N3 3 0.422187 0.397869 0.357273 11.00000 0.02695 0.05555 = 0.01703 -0.01438 0.00642 -0.00461 C1 1 0.716717 0.363381 0.427517 11.00000 0.03249 0.03708 = 0.02561 -0.00915 0.00562 0.00293 AFIX 43 H1 2 0.706998 0.316894 0.424978 11.00000 -1.20000 AFIX 0 C2 1 0.792659 0.385631 0.451562 11.00000 0.02434 0.04083 = 0.03071 -0.00765 0.00105 0.00754 AFIX 43 H2 2 0.834114 0.354566 0.466840 11.00000 -1.20000 AFIX 0 C3 1 0.808313 0.452444 0.453419 11.00000 0.02013 0.04041 = 0.03266 -0.01314 0.00095 0.00185 AFIX 43 H3 2 0.860376 0.468157 0.469161 11.00000 -1.20000 AFIX 0 C4 1 0.746728 0.496465 0.431897 11.00000 0.02146 0.03580 = 0.02465 -0.00913 0.00057 0.00119 AFIX 43 H4 2 0.756092 0.542977 0.431919 11.00000 -1.20000 AFIX 0 C5 1 0.671646 0.472475 0.410403 11.00000 0.02037 0.03795 = 0.01599 -0.00925 0.00095 0.00342 C6 1 0.602385 0.516306 0.393305 11.00000 0.01526 0.04556 = 0.01289 -0.01164 -0.00092 0.00022 C7 1 0.600596 0.584344 0.394135 11.00000 0.02044 0.03815 = 0.01907 -0.01045 0.00043 0.00544 AFIX 43 H7 2 0.647714 0.608765 0.401353 11.00000 -1.20000 AFIX 0 C8 1 0.529548 0.618250 0.384383 11.00000 0.02403 0.04557 = 0.01254 -0.00799 -0.00258 0.00600 C9 1 0.461085 0.579931 0.372671 11.00000 0.01732 0.05825 = 0.01114 -0.00983 -0.00401 0.00710 AFIX 43 H9 2 0.412060 0.601136 0.367264 11.00000 -1.20000 AFIX 0 C10 1 0.465518 0.511543 0.369090 11.00000 0.01827 0.04990 = 0.01543 -0.01452 0.00062 -0.00110 C11 1 0.400523 0.463251 0.355588 11.00000 0.02338 0.05484 = 0.01224 -0.01592 0.00143 -0.00235 C12 1 0.323421 0.482003 0.342278 11.00000 0.02393 0.06222 = 0.02018 -0.01263 0.00342 0.00026 AFIX 43 H12 2 0.309541 0.527689 0.340810 11.00000 -1.20000 AFIX 0 C13 1 0.266288 0.432909 0.331034 11.00000 0.01845 0.07805 = 0.02201 -0.01324 -0.00051 -0.00081 AFIX 43 H13 2 0.212996 0.444962 0.321738 11.00000 -1.20000 AFIX 0 C14 1 0.287129 0.367465 0.333417 11.00000 0.02998 0.06594 = 0.02629 -0.01503 0.00786 -0.01007 AFIX 43 H14 2 0.248841 0.333492 0.326654 11.00000 -1.20000 AFIX 0 C15 1 0.365512 0.351588 0.345940 11.00000 0.03525 0.05608 = 0.01918 -0.01097 0.00851 -0.00308 AFIX 43 H15 2 0.379849 0.306030 0.346549 11.00000 -1.20000 AFIX 0 C16 1 0.525912 0.691678 0.387797 11.00000 0.02087 0.04412 = 0.01250 -0.00896 -0.00379 0.00672 C17 1 0.455710 0.725602 0.350114 11.00000 0.02185 0.04826 = 0.02049 -0.01053 -0.00405 0.00684 AFIX 43 H17 2 0.410264 0.701059 0.322033 11.00000 -1.20000 AFIX 0 C18 1 0.452471 0.793432 0.353629 11.00000 0.01665 0.04804 = 0.02323 -0.00838 -0.00322 0.00957 AFIX 43 H18 2 0.404894 0.815523 0.327254 11.00000 -1.20000 AFIX 0 C19 1 0.517959 0.830534 0.395338 11.00000 0.02194 0.04113 = 0.02071 -0.00509 0.00018 0.00763 C20 1 0.587692 0.798288 0.433253 11.00000 0.01666 0.04562 = 0.02253 -0.00374 -0.00147 0.00212 AFIX 43 H20 2 0.632625 0.823197 0.462255 11.00000 -1.20000 AFIX 0 C21 1 0.591312 0.729973 0.428553 11.00000 0.02437 0.04484 = 0.01760 -0.00725 -0.00161 0.00693 AFIX 43 H21 2 0.639400 0.708301 0.453599 11.00000 -1.20000 AFIX 0 C22 1 0.513220 0.904093 0.404852 11.00000 0.02574 0.05329 = 0.02884 0.00331 0.00118 0.00694 C23 1 0.546852 0.290933 0.388340 11.00000 0.02777 0.05087 = 0.03193 -0.01867 0.01552 -0.00908 EADP S1 S1B EADP C24 C24B EADP F4 F4B EADP F5 F5B EADP F6 F6B EADP O2 O2B EADP O3 O3B EADP O4 O4B SADI 0.001 S1 O2 S1 O3 S1 O4 S1B O2B S1B O3B S1B O4B SADI 0.001 C24 F4 C24 F5 C24 F6 C24B F4B C24B F5B C24B F6B SADI 0.001 S1 C24 S1B C24B PART 1 S1 6 0.264516 0.185363 0.272406 21.00000 0.02306 0.01791 = 0.04489 0.00570 -0.00847 -0.00443 O2 4 0.202434 0.138107 0.251869 21.00000 0.02044 0.02490 = 0.08453 -0.01332 -0.01456 -0.00113 O3 4 0.272103 0.233994 0.197294 21.00000 0.07671 0.02546 = 0.07253 0.02069 0.01693 0.00009 O4 4 0.275881 0.213535 0.372027 21.00000 0.03090 0.05876 = 0.04256 -0.00414 -0.00001 -0.00270 C24 1 0.351507 0.134857 0.276842 21.00000 0.02790 0.03452 = 0.03188 0.00402 -0.00719 -0.00679 F4 5 0.421501 0.163165 0.298985 21.00000 0.02591 0.08249 = 0.06034 -0.02139 0.00718 -0.01717 F5 5 0.349555 0.101354 0.190816 21.00000 0.04371 0.05321 = 0.04411 -0.00727 0.00362 -0.00563 F6 5 0.359477 0.090907 0.352410 21.00000 0.04328 0.04928 = 0.08462 0.03841 0.01773 0.02126 PART 2 S1B 6 0.270669 0.170103 0.261387 -21.00000 0.02306 0.01791 = 0.04489 0.00570 -0.00847 -0.00443 O2B 4 0.213490 0.125015 0.208766 -21.00000 0.02044 0.02490 = 0.08453 -0.01332 -0.01456 -0.00113 O3B 4 0.275098 0.228452 0.201923 -21.00000 0.07671 0.02546 = 0.07253 0.02069 0.01693 0.00009 O4B 4 0.266849 0.178612 0.365983 -21.00000 0.03090 0.05876 = 0.04256 -0.00414 -0.00001 -0.00270 C24B 1 0.362266 0.126385 0.264773 -21.00000 0.02790 0.03452 = 0.03188 0.00402 -0.00719 -0.00679 F4B 5 0.417919 0.167675 0.309918 -21.00000 0.02591 0.08249 = 0.06034 -0.02139 0.00718 -0.01717 F5B 5 0.374805 0.114098 0.171905 -21.00000 0.04371 0.05321 = 0.04411 -0.00727 0.00362 -0.00563 F6B 5 0.362361 0.068344 0.312603 -21.00000 0.04328 0.04928 = 0.08462 0.03841 0.01773 0.02126 PART 0 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM ga_CHEM0301.res in C2/c REM R1 = 0.0493 for 2998 Fo > 4sig(Fo) and 0.0681 for all 4028 data REM 377 parameters refined using 31 restraints END WGHT 0.0392 2.2190 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, y, -z+1/2 HTAB C1 O3_$1 HTAB C1 O3B_$1 EQIV $2 x+1/2, y+1/2, z HTAB C4 F6_$2 HTAB C7 O2_$2 HTAB C7 O4B_$2 EQIV $3 -x+1/2, y+1/2, -z+1/2 HTAB C9 O2_$3 HTAB C9 O2B_$3 HTAB C12 O2_$3 HTAB C12 O2B_$3 HTAB C14 O4 REM Highest difference peak 1.090, deepest hole -0.818, 1-sigma level 0.104 Q1 1 0.5423 0.3842 0.2994 11.00000 0.05 1.09 Q2 1 0.5412 0.3822 0.4612 11.00000 0.05 1.07 Q3 1 0.4893 0.4178 0.4237 11.00000 0.05 0.81 Q4 1 0.5134 0.4135 0.3481 11.00000 0.05 0.77 Q5 1 0.5884 0.4239 0.3357 11.00000 0.05 0.73 ; _shelx_res_checksum 28496 _shelx_hkl_file ; 2 0 0 1422.06 110.59 4 0 0 1408.56 119.49 -4 0 0 1470.85 118.39 -6 0 0 200.18 17.70 -6 0 0 239.28 18.20 6 0 0 244.28 17.90 -6 0 0 243.48 20.70 8 0 0 63.99 5.70 -8 0 0 64.89 6.30 8 0 0 59.39 6.80 -8 0 0 62.69 9.60 -10 0 0 485.55 42.80 10 0 0 503.05 37.20 10 0 0 477.35 38.40 -12 0 0 386.96 30.90 -12 0 0 346.47 36.60 12 0 0 423.16 30.20 -14 0 0 180.88 15.40 -14 0 0 132.49 22.00 -16 0 0 283.67 25.00 -18 0 0 59.49 10.70 -18 0 0 28.00 5.90 -20 0 0 2.10 3.20 -1 1 0 764.62 64.59 -3 -1 0 109.49 9.50 3 -1 0 124.29 10.60 3 -1 0 114.99 9.40 -3 -1 0 126.29 11.20 3 1 0 124.69 9.50 -3 1 0 128.89 10.70 3 1 0 132.99 10.90 5 -1 0 44.30 4.10 -5 -1 0 40.90 4.10 -5 -1 0 45.50 6.50 5 1 0 48.20 4.20 -5 1 0 45.80 6.50 5 1 0 46.40 5.90 -7 -1 0 71.19 7.40 -7 -1 0 87.79 11.20 7 -1 0 92.99 7.50 -7 1 0 93.99 8.00 7 1 0 96.39 7.60 -7 1 0 87.29 11.60 9 -1 0 167.48 16.50 -9 -1 0 187.28 15.50 -9 -1 0 188.68 19.70 9 -1 0 190.88 15.00 -9 1 0 187.38 15.70 9 1 0 194.08 16.00 -9 1 0 191.58 19.60 9 1 0 200.48 15.20 11 -1 0 134.59 10.30 -11 -1 0 131.19 11.10 -11 -1 0 121.79 16.90 -11 1 0 129.59 11.20 11 1 0 145.69 10.60 11 1 0 57.69 11.30 -11 1 0 105.99 17.20 -13 -1 0 394.96 30.90 13 -1 0 443.96 30.00 -13 -1 0 334.07 37.60 -13 1 0 393.96 31.00 -13 1 0 333.27 36.90 -15 -1 0 356.26 29.30 -15 1 0 346.07 29.40 -17 -1 0 61.49 9.90 -17 1 0 71.19 10.40 -17 1 0 41.00 7.00 -19 -1 0 12.10 8.90 -19 -1 0 7.00 4.70 -19 1 0 5.00 4.40 -19 1 0 26.60 14.80 0 -2 0 186.48 13.50 0 2 0 170.98 13.40 -2 -2 0 27.70 4.70 -2 -2 0 26.80 2.60 2 2 0 30.40 2.70 -2 2 0 24.50 3.40 2 2 0 27.50 4.60 4 -2 0 92.09 7.60 -4 -2 0 85.49 7.70 4 -2 0 97.89 9.10 -4 -2 0 89.39 10.30 -4 2 0 100.99 9.40 4 2 0 102.59 7.80 4 2 0 99.59 10.00 6 -2 0 291.47 22.30 -6 -2 0 256.27 22.40 -6 -2 0 280.97 25.70 6 2 0 317.57 22.50 -6 2 0 309.47 25.00 -6 2 0 299.67 22.70 -8 -2 0 0.20 4.60 8 -2 0 0.80 1.00 -8 2 0 0.50 3.50 -8 2 0 1.00 1.40 10 -2 0 4.10 1.60 -10 -2 0 3.80 2.00 -10 -2 0 5.20 6.30 -10 2 0 6.00 5.40 10 2 0 4.40 1.70 -10 2 0 3.70 2.10 12 -2 0 4.00 1.70 -12 -2 0 1.30 7.50 -12 -2 0 1.90 2.10 -12 2 0 5.80 6.90 12 2 0 4.70 2.00 -12 2 0 2.50 2.60 -14 -2 0 27.90 15.40 -14 -2 0 45.30 7.10 -14 2 0 32.50 13.30 -14 2 0 47.00 7.80 14 2 0 49.60 5.90 -16 -2 0 2.60 5.00 -16 2 0 24.70 7.70 -16 2 0 -0.70 2.60 -18 -2 0 29.00 8.80 -18 -2 0 10.10 4.20 -18 2 0 4.70 3.40 -18 2 0 39.50 10.30 -20 -2 0 1.20 3.00 -20 2 0 0.50 2.60 1 -3 0 5.70 1.10 -1 -3 0 4.90 3.10 -1 -3 0 6.90 1.30 1 3 0 7.20 3.30 1 3 0 6.30 1.40 -3 -3 0 287.07 22.50 -3 -3 0 273.37 24.40 -3 3 0 297.17 23.70 3 3 0 306.37 24.70 3 3 0 325.87 22.60 5 -3 0 46.20 4.60 5 -3 0 47.70 5.90 -5 -3 0 43.90 7.60 -5 -3 0 41.80 4.40 -5 3 0 48.30 6.40 -5 3 0 48.50 4.70 5 3 0 54.09 4.60 -7 -3 0 8.60 4.70 7 -3 0 7.50 1.70 7 -3 0 2.80 3.00 -7 3 0 8.70 2.40 7 3 0 10.10 2.30 -9 -3 0 143.59 18.70 9 -3 0 159.38 13.40 9 3 0 175.48 14.60 9 3 0 175.28 13.80 -9 3 0 178.78 14.90 -9 3 0 167.28 17.60 -11 -3 0 61.09 13.30 -11 -3 0 75.89 7.30 11 -3 0 76.79 6.40 -11 3 0 75.69 8.10 11 3 0 78.59 6.90 -11 3 0 82.79 14.10 11 3 0 21.50 7.70 -13 -3 0 257.17 21.20 -13 3 0 224.08 27.40 -13 3 0 247.48 24.20 13 3 0 266.67 20.60 -15 -3 0 6.90 3.70 -15 3 0 23.40 6.50 -15 3 0 8.90 3.10 -17 -3 0 75.99 10.70 -17 3 0 63.19 7.90 -17 3 0 102.09 12.40 -19 -3 0 36.00 14.00 -19 -3 0 25.30 8.50 -19 3 0 7.20 3.50 -19 3 0 27.00 14.20 0 -4 0 1883.31 147.09 0 4 0 1822.12 146.19 2 -4 0 200.68 18.20 -2 -4 0 256.57 18.50 -2 -4 0 248.38 20.70 2 4 0 266.27 18.50 2 4 0 236.88 20.70 -4 -4 0 96.69 8.70 -4 -4 0 94.69 11.40 4 4 0 119.39 8.80 4 4 0 109.59 11.70 -4 4 0 105.69 10.20 -6 -4 0 106.29 12.90 6 -4 0 112.49 9.50 -6 4 0 118.49 12.10 6 4 0 128.59 9.90 -6 4 0 119.49 10.10 8 -4 0 0.40 1.00 -8 -4 0 0.80 4.90 -8 4 0 0.30 1.60 8 4 0 1.30 1.30 -8 4 0 0.50 3.80 -10 -4 0 77.19 14.30 10 -4 0 102.59 8.70 10 4 0 86.69 8.60 10 4 0 102.89 8.70 -10 4 0 91.59 12.60 -10 4 0 91.59 9.50 -12 -4 0 348.97 27.20 -12 -4 0 287.47 34.20 12 4 0 367.96 26.90 -12 4 0 336.47 27.70 -12 4 0 328.97 32.90 -14 -4 0 -0.80 2.60 -14 4 0 4.50 3.70 -14 4 0 -0.10 8.00 14 4 0 1.30 2.30 -14 4 0 3.30 2.80 -16 -4 0 85.89 10.60 -16 4 0 119.49 15.50 -16 4 0 82.09 8.80 -18 -4 0 25.50 8.40 -18 4 0 7.40 3.20 -18 4 0 37.90 11.00 -20 -4 0 1.40 3.20 -20 4 0 2.00 2.80 -1 -5 0 128.79 9.20 1 -5 0 113.89 9.00 -1 5 0 94.89 9.00 1 5 0 107.09 11.40 1 5 0 118.49 9.20 3 -5 0 87.29 8.20 -3 -5 0 105.29 11.50 -3 -5 0 106.79 8.60 3 5 0 100.99 11.60 3 5 0 114.89 8.70 -5 5 0 37.70 4.40 5 5 0 42.20 4.20 -5 5 0 36.80 5.70 -7 -5 0 543.65 49.90 7 -5 0 553.64 45.20 -7 5 0 600.14 45.20 7 5 0 698.03 46.00 -7 5 0 623.84 48.60 9 -5 0 17.30 2.60 -9 -5 0 15.80 6.90 -9 5 0 16.60 3.90 9 5 0 20.90 3.20 -9 5 0 14.90 2.60 -9 5 0 19.20 5.90 11 -5 0 297.77 23.70 -11 -5 0 273.17 31.60 -11 5 0 310.97 25.40 11 5 0 337.77 24.70 -11 5 0 307.97 29.50 -11 5 0 298.27 23.60 -13 -5 0 6.70 9.30 -13 -5 0 5.70 3.00 13 5 0 7.40 2.70 -13 5 0 8.40 4.30 -13 5 0 7.30 2.90 -13 5 0 7.60 7.90 -15 -5 0 172.48 16.70 -15 5 0 228.18 23.30 -15 5 0 161.78 15.30 -17 -5 0 17.70 6.80 -17 5 0 4.30 2.80 -17 5 0 31.30 8.90 -19 -5 0 6.50 3.90 -19 5 0 -1.40 6.10 -19 5 0 3.50 2.40 0 -6 0 287.97 20.60 0 6 0 247.38 20.60 0 6 0 267.87 22.90 -2 -6 0 829.42 60.79 -2 -6 0 931.51 63.99 2 6 0 687.63 63.09 2 6 0 808.72 60.79 -4 -6 0 19.10 5.90 4 -6 0 18.30 2.40 -4 6 0 20.60 3.00 -4 6 0 19.80 4.20 4 6 0 22.90 3.00 -6 -6 0 38.40 8.40 -6 6 0 39.90 5.00 6 6 0 49.90 4.80 8 -6 0 31.50 3.60 -8 -6 0 32.90 9.30 -8 6 0 27.90 3.40 8 6 0 40.50 4.40 -8 6 0 37.20 6.90 -8 6 0 32.10 4.90 10 -6 0 23.30 3.30 -10 -6 0 24.00 10.30 -10 6 0 27.40 7.40 -10 6 0 24.70 5.10 -12 -6 0 34.10 5.60 12 6 0 36.70 4.80 -12 6 0 34.30 9.30 -12 6 0 28.80 4.10 -12 6 0 26.20 7.00 -14 -6 0 -1.40 2.30 -14 6 0 14.20 6.40 -14 6 0 0.80 2.30 -16 -6 0 1.90 3.30 -16 6 0 22.30 8.10 -16 6 0 3.00 4.10 18 -6 0 1.20 3.60 -18 6 0 3.20 6.30 -18 6 0 2.20 2.90 1 -7 0 802.12 55.39 1 7 0 775.72 55.59 -1 7 0 646.14 55.29 1 7 0 739.13 59.59 3 -7 0 37.90 3.80 -3 -7 0 43.20 8.40 -3 7 0 37.40 4.40 3 7 0 39.50 4.30 -5 -7 0 230.68 23.10 5 7 0 268.77 19.50 -5 7 0 239.38 21.30 -5 7 0 233.38 19.50 -7 -7 0 39.30 8.40 7 7 0 48.70 5.10 -7 7 0 45.30 7.30 -7 7 0 35.80 3.80 -9 -7 0 4.90 6.90 9 -7 0 2.50 1.40 -9 7 0 3.30 2.70 -9 7 0 4.10 1.60 -9 7 0 5.80 4.40 9 7 0 5.50 2.10 -11 -7 0 63.29 15.00 11 -7 0 63.79 6.50 11 7 0 73.59 7.70 -11 7 0 73.89 8.90 -11 7 0 77.09 12.20 -11 7 0 63.79 6.40 -13 -7 0 40.20 6.30 -13 7 0 51.69 13.00 -13 7 0 57.39 9.20 -13 7 0 45.80 6.90 13 7 0 32.40 5.90 -15 -7 0 -0.30 2.50 -15 7 0 17.00 7.60 -17 7 0 8.20 6.40 -19 -7 0 15.20 5.70 0 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9 0 128.39 12.30 -9 -9 0 109.29 17.20 9 9 0 124.39 11.10 -9 9 0 95.19 9.20 -9 9 0 119.79 11.80 -9 9 0 125.09 14.60 -11 -9 0 133.09 20.30 -11 9 0 143.19 16.90 11 9 0 134.29 15.90 -11 9 0 143.79 14.00 -11 9 0 111.09 10.70 -13 -9 0 74.39 8.40 -13 9 0 81.89 11.60 -15 9 0 213.68 21.00 17 -9 0 34.00 4.90 -17 9 0 22.80 10.50 0 -10 0 380.06 25.90 0 10 0 306.87 26.80 0 10 0 343.07 27.00 2 -10 0 294.07 19.30 -2 -10 0 244.18 19.10 2 10 0 231.88 20.10 2 10 0 245.58 20.30 -2 10 0 242.48 20.40 -4 -10 0 31.60 3.20 4 10 0 34.30 5.40 4 10 0 37.20 4.70 -4 10 0 39.50 5.30 6 10 0 5.70 3.20 -6 10 0 9.30 3.80 -6 10 0 8.90 4.30 6 10 0 7.00 2.80 -8 -10 0 4.70 6.50 -8 10 0 4.70 4.40 8 10 0 2.90 2.30 8 10 0 6.10 3.40 -8 10 0 8.70 4.70 -10 -10 0 77.89 17.10 -10 10 0 95.99 13.00 10 10 0 78.29 9.20 -10 10 0 87.49 10.40 -12 10 0 23.70 8.20 -12 10 0 43.50 8.80 16 -10 0 23.10 4.40 -16 10 0 19.50 9.80 18 -10 0 1.20 2.00 1 -11 0 30.50 3.10 -1 -11 0 27.70 3.00 -1 11 0 29.60 4.70 1 11 0 24.50 4.00 1 11 0 28.50 4.40 -3 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31.90 3 -13 0 320.97 21.60 -3 -13 0 261.37 21.20 3 13 0 241.78 22.60 3 13 0 283.07 22.70 3 13 0 270.27 24.20 -3 13 0 286.87 23.50 5 -13 0 67.89 6.10 5 13 0 52.49 7.00 -5 13 0 63.89 10.10 5 13 0 51.39 8.30 -5 13 0 66.79 9.20 -7 13 0 15.50 7.00 7 13 0 6.30 4.70 -7 13 0 27.20 6.20 7 13 0 10.80 4.40 -9 13 0 100.79 13.20 -9 13 0 152.18 15.40 11 -13 0 99.29 9.10 -11 13 0 91.09 12.80 13 -13 0 60.29 6.50 -13 13 0 52.99 10.30 15 -13 0 32.40 5.00 -15 13 0 24.30 9.10 17 -13 0 6.60 2.50 -17 13 0 -1.70 5.60 0 -14 0 56.59 5.40 0 14 0 56.49 7.50 -2 -14 0 2.70 1.50 2 -14 0 2.80 1.70 2 14 0 3.20 2.80 -2 14 0 3.20 3.10 2 14 0 1.60 2.00 2 14 0 4.40 4.10 4 -14 0 20.60 3.30 -4 -14 0 14.50 2.60 4 14 0 16.70 6.00 4 14 0 14.10 3.90 -4 14 0 22.20 6.40 6 -14 0 0.80 1.90 6 14 0 1.60 2.20 6 14 0 1.20 2.90 -6 14 0 4.20 3.90 8 -14 0 0.60 2.00 -8 14 0 3.70 4.00 10 -14 0 12.40 3.50 -10 14 0 9.80 6.00 12 -14 0 9.60 3.20 -12 14 0 8.70 5.70 14 -14 0 35.30 5.00 -14 14 0 31.20 9.30 16 -14 0 15.80 3.50 -16 14 0 6.70 6.30 1 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38.70 8.70 -4 20 0 39.20 9.20 -4 20 0 38.80 12.40 6 -20 0 3.70 2.50 -6 20 0 4.50 5.00 8 -20 0 0.40 2.30 -8 20 0 2.90 6.20 10 -20 0 10.30 3.40 -10 20 0 8.40 5.50 1 21 0 17.30 9.40 -1 21 0 28.40 9.40 -1 21 0 19.40 10.70 3 -21 0 23.00 4.10 -3 21 0 30.70 7.90 -3 21 0 20.70 10.90 3 21 0 27.90 8.30 5 -21 0 3.20 2.40 -5 21 0 5.10 4.90 -5 21 0 3.80 7.30 7 -21 0 0.80 2.60 -7 21 0 7.00 11.70 -7 21 0 2.50 4.90 9 -21 0 40.10 5.30 -9 21 0 38.90 12.30 -9 21 0 37.70 9.00 0 22 0 9.50 7.90 2 -22 0 89.39 10.00 2 22 0 82.39 18.50 -2 22 0 98.49 14.60 -2 22 0 61.89 19.70 4 -22 0 -0.70 2.00 -4 22 0 -2.90 8.50 6 -22 0 0.80 2.10 -6 22 0 -2.30 6.90 -6 22 0 5.50 4.50 -8 22 0 9.00 8.30 1 23 0 4.40 4.70 -1 23 0 -0.20 5.40 -3 23 0 -0.60 6.20 5 -23 0 1.40 2.30 -5 23 0 -0.20 6.50 -5 23 0 24.70 6.70 -18 0 1 2.50 3.40 -18 0 1 25.30 10.60 -16 0 1 2.80 3.00 -16 0 1 26.60 9.90 14 0 -1 -2.10 1.90 -14 0 1 -3.50 8.30 -12 0 1 1.20 2.30 -12 0 1 -2.30 6.70 12 0 -1 0.20 1.50 10 0 -1 0.30 1.30 -10 0 1 1.50 5.00 -10 0 1 0.40 1.60 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15.60 11 7 3 87.89 9.90 13 -7 3 6.00 2.60 -13 7 -3 1.80 5.10 -15 -7 -3 116.19 13.70 15 -7 3 134.19 11.40 -15 7 -3 143.79 15.30 -17 -7 -3 20.10 7.70 -17 7 -3 66.49 15.20 -18 -8 3 6.70 4.20 -18 8 3 6.10 2.80 -16 -8 3 15.30 5.20 -16 8 3 -3.20 5.40 -16 8 3 2.40 2.50 -14 8 3 1.50 4.70 -14 8 3 2.50 2.30 12 -8 -3 19.40 4.00 -12 -8 3 22.20 3.40 -12 -8 3 49.99 11.50 12 8 -3 26.30 5.00 -12 8 3 29.20 8.40 -12 8 3 22.40 3.90 -10 -8 3 70.39 6.40 10 -8 -3 60.99 7.20 -10 8 3 64.29 6.50 -10 8 3 63.99 9.90 10 8 -3 78.19 7.90 -10 8 3 78.39 9.40 -8 -8 3 46.50 4.80 -8 8 3 45.50 4.80 -8 8 3 51.29 7.00 8 8 -3 55.39 6.00 -8 8 3 51.89 6.90 -6 -8 3 6.10 1.90 6 8 -3 8.40 2.30 -6 8 3 8.80 3.80 -6 8 3 6.40 1.90 -4 -8 3 0.10 1.10 -4 8 3 1.30 2.30 -4 8 3 1.20 1.50 -4 8 3 0.40 1.00 4 8 -3 0.60 1.30 -4 8 3 0.20 2.30 -2 -8 3 23.50 2.80 -2 8 3 22.50 2.60 2 8 -3 27.70 3.30 -2 8 3 25.30 4.90 -2 8 3 22.70 5.20 -2 8 3 25.10 4.30 0 -8 3 24.20 2.80 0 8 3 22.50 2.50 0 8 3 24.30 4.80 0 8 3 28.10 5.70 0 8 -3 24.60 3.00 0 8 3 24.80 4.20 2 -8 3 66.39 5.40 2 -8 3 58.69 5.80 -2 8 -3 57.09 6.00 2 8 3 64.69 7.60 -2 8 -3 51.49 5.30 2 8 3 60.59 5.10 2 8 3 61.19 6.90 4 -8 3 2.60 3.70 -4 -8 -3 2.10 4.30 4 -8 3 0.50 1.00 4 -8 3 1.80 1.30 4 8 3 1.70 1.00 4 8 3 1.10 1.70 -4 8 -3 0.50 1.50 -4 8 -3 1.40 2.80 4 8 3 0.70 2.60 6 -8 3 7.50 2.50 6 -8 3 25.80 7.50 -6 -8 -3 6.60 6.10 6 8 3 7.10 1.80 -6 8 -3 5.90 3.40 -6 8 -3 7.10 5.00 6 8 3 5.10 3.40 6 8 3 5.70 2.50 -8 -8 -3 31.80 10.60 8 -8 3 35.50 4.50 8 8 3 29.20 6.10 -8 8 -3 32.80 5.50 -8 8 -3 37.40 8.90 8 8 3 27.20 5.00 -10 -8 -3 -0.40 7.10 10 8 3 -0.20 2.30 10 8 3 -1.00 2.20 -10 8 -3 -1.40 2.60 12 -8 3 0.50 2.10 -12 8 -3 -0.80 3.10 -14 -8 -3 2.00 4.40 14 -8 3 8.60 3.70 -14 8 -3 21.50 7.20 16 -8 3 4.30 2.30 -16 -8 -3 -0.60 3.30 -16 8 -3 34.10 9.90 -18 8 -3 25.60 10.30 -19 -9 3 -0.80 3.20 -17 -9 3 4.40 3.80 -17 9 3 2.60 2.30 -15 -9 3 42.60 8.10 -15 9 3 12.70 10.20 -15 9 3 23.60 4.40 -13 9 3 17.80 7.70 -13 9 3 16.20 3.80 -11 -9 3 12.50 2.80 11 -9 -3 14.50 3.50 11 9 -3 18.70 4.10 -11 9 3 16.30 3.20 -11 9 3 22.40 7.00 -9 -9 3 25.90 3.60 -9 9 3 37.00 7.50 -9 9 3 34.50 9.00 9 9 -3 30.10 4.60 -9 9 3 26.00 3.90 -7 -9 3 27.60 3.60 7 9 -3 32.20 4.50 -7 9 3 34.70 5.10 -7 9 3 35.30 6.00 -7 9 3 27.10 3.60 -5 -9 3 1.40 1.40 5 9 -3 1.70 1.60 -5 9 3 1.70 1.40 -5 9 3 2.80 2.60 -5 9 3 2.00 2.80 -5 9 3 2.70 2.00 -3 -9 3 90.09 7.60 -3 9 3 84.99 7.40 -3 9 3 94.49 9.30 3 9 -3 104.79 8.50 -3 9 3 84.29 10.00 -1 -9 3 183.38 14.50 1 9 -3 184.48 15.00 -1 9 3 195.98 17.90 -1 9 3 191.18 17.50 -1 9 3 196.28 16.00 -1 9 3 167.58 14.20 1 -9 3 230.38 16.80 1 9 3 217.38 18.10 -1 9 -3 188.58 16.90 -1 9 -3 216.78 17.30 1 9 3 209.78 16.40 1 9 3 230.08 19.70 3 -9 3 20.80 3.50 3 -9 3 29.40 3.10 -3 -9 -3 27.60 6.70 -3 9 -3 25.30 4.00 3 9 3 25.80 4.60 3 9 3 27.40 5.90 3 9 3 27.50 2.80 -5 -9 -3 103.59 14.30 5 -9 3 111.29 9.20 5 -9 3 125.09 9.60 5 9 3 91.49 10.40 -5 9 -3 122.09 14.50 5 9 3 107.29 12.70 -5 9 -3 113.39 10.70 5 9 3 119.09 9.10 -7 -9 -3 40.20 10.80 7 -9 3 50.39 5.20 7 9 3 39.80 5.90 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7.10 0 10 -3 83.99 7.90 0 10 3 88.19 7.10 2 -10 3 29.90 3.30 -2 10 -3 30.70 4.50 2 10 3 30.10 5.80 2 10 3 29.70 5.00 2 10 3 31.20 3.00 4 -10 3 263.97 20.00 -4 -10 -3 255.77 25.40 -4 10 -3 246.68 21.10 4 10 3 253.97 22.70 4 10 3 261.07 19.60 -6 -10 -3 345.87 34.90 6 -10 3 421.16 29.00 -6 10 -3 408.96 35.30 6 10 3 321.37 30.00 -6 10 -3 370.46 30.10 6 10 3 373.86 31.30 -8 -10 -3 22.10 10.20 8 10 3 20.10 5.80 -8 10 -3 17.60 5.30 -8 10 -3 35.00 8.70 8 10 3 18.30 4.30 10 -10 3 3.60 2.50 10 10 3 2.70 2.70 -10 10 -3 2.60 3.40 10 10 3 1.60 2.40 12 -10 3 107.59 9.90 -12 10 -3 106.49 12.50 14 -10 3 142.99 12.70 -14 10 -3 151.58 16.50 -16 -10 -3 53.99 7.80 16 -10 3 63.59 6.50 -16 10 -3 53.29 14.50 -17 -11 3 9.60 5.20 -15 -11 3 39.20 5.70 -15 11 3 11.00 6.30 -13 11 3 4.00 2.00 -13 11 3 3.60 5.50 -11 11 3 95.59 9.20 -11 11 3 118.79 13.30 -9 -11 3 234.68 20.00 -9 11 3 260.87 23.20 9 11 -3 327.07 24.10 -9 11 3 231.18 20.10 -7 -11 3 161.68 13.90 -7 11 3 164.28 14.10 7 11 -3 179.88 15.40 -7 11 3 188.68 16.10 -7 11 3 179.08 16.70 -5 -11 3 10.20 2.40 -5 11 3 10.00 2.30 -5 11 3 15.50 5.50 -5 11 3 18.80 3.80 5 11 -3 10.40 3.00 -3 -11 3 6.60 2.10 -3 11 3 11.20 5.30 3 11 -3 5.60 2.30 -3 11 3 6.40 1.80 -1 -11 3 83.79 7.20 1 11 -3 76.89 7.80 -1 11 3 76.19 6.80 -1 11 3 85.89 9.10 -1 11 3 90.29 11.10 1 -11 3 457.25 32.90 -1 -11 -3 433.96 32.30 1 11 3 456.55 36.30 1 11 3 464.05 32.50 -1 11 -3 350.06 33.10 1 11 3 445.26 34.50 -1 11 -3 423.56 33.60 3 -11 3 280.97 22.30 -3 11 -3 312.47 26.50 3 11 3 275.37 25.30 3 11 3 307.57 22.00 3 11 3 267.77 23.80 5 -11 3 165.28 13.30 -5 -11 -3 164.38 19.10 5 11 3 154.38 16.00 5 11 3 158.18 12.80 -5 11 -3 161.28 14.80 -5 11 -3 172.58 19.40 -7 -11 -3 4.00 6.10 7 11 3 -0.20 3.20 -7 11 -3 5.60 5.20 -7 11 -3 0.10 2.70 7 11 3 1.60 2.30 9 -11 3 2.00 2.30 -9 11 -3 1.70 3.30 9 11 3 0.30 2.20 9 11 3 2.50 3.00 -11 11 -3 44.30 11.40 13 -11 3 50.79 6.40 -13 11 -3 52.69 10.10 -15 -11 -3 99.09 12.20 15 -11 3 79.39 8.40 -15 11 -3 82.39 12.20 -18 -12 3 6.50 3.90 -16 -12 3 4.60 3.00 -14 -12 3 33.30 5.50 -14 12 3 9.80 6.40 -12 12 3 0.70 5.10 -10 12 3 216.08 18.50 -10 12 3 256.57 22.40 -8 -12 3 51.69 5.40 -8 12 3 59.79 9.30 8 12 -3 63.69 7.20 -8 12 3 48.00 5.20 -6 -12 3 128.49 11.80 -6 12 3 177.98 17.00 6 12 -3 142.09 13.20 -6 12 3 132.79 11.60 -6 12 3 155.08 14.90 -4 -12 3 2.80 1.80 4 12 -3 3.30 2.10 -4 12 3 3.30 1.50 -4 12 3 5.80 3.50 -2 -12 3 31.90 3.80 -2 12 3 32.60 6.20 -2 12 3 39.00 8.40 -2 12 3 27.30 3.20 2 12 -3 32.70 4.50 0 -12 -3 105.99 8.00 0 -12 3 102.09 8.50 0 12 3 99.99 10.50 0 12 -3 80.09 8.90 0 12 3 103.19 8.10 0 12 -3 91.69 9.20 0 12 3 106.69 12.60 2 -12 3 26.10 3.60 2 12 3 27.20 7.30 2 12 3 29.00 3.00 2 12 3 25.30 6.00 4 -12 3 67.69 6.70 -4 12 -3 79.79 12.80 4 12 3 65.29 9.90 4 12 3 71.39 6.10 -4 12 -3 70.99 8.50 -6 -12 -3 141.19 17.70 6 12 3 117.39 13.70 -6 12 -3 126.09 12.90 -6 12 -3 138.59 17.40 8 -12 3 6.20 2.60 -8 -12 -3 37.80 9.50 8 12 3 5.50 3.80 -8 12 -3 5.90 3.70 -8 12 -3 39.50 7.20 -10 12 -3 5.40 6.20 10 12 3 7.40 4.00 12 -12 3 9.60 3.60 -12 12 -3 8.70 5.10 14 -12 3 28.70 5.00 -14 12 -3 27.40 9.30 16 -12 3 27.30 4.60 -16 12 -3 29.30 9.90 -17 -13 3 2.70 2.80 -15 -13 3 5.00 3.20 -13 -13 3 12.10 4.60 -13 13 3 -1.40 5.10 -11 13 3 5.60 5.00 -9 -13 3 68.29 6.90 -9 13 3 89.69 11.60 -7 -13 3 13.50 3.00 -7 13 3 24.30 8.40 7 13 -3 15.10 4.00 -5 -13 3 0.10 1.60 -5 13 3 0.50 1.20 -5 13 3 24.30 4.20 -5 13 3 2.30 3.80 5 13 -3 -0.60 1.70 -3 -13 3 0.30 1.60 3 13 -3 0.70 2.00 -3 13 3 12.20 8.00 -3 13 3 1.50 3.30 -3 13 3 -0.20 1.10 -1 -13 3 0.00 1.60 1 13 -3 -0.20 1.80 -1 13 3 3.10 4.70 1 13 -3 1.10 1.90 -1 13 3 -0.40 1.10 -1 13 3 1.20 3.20 -1 -13 -3 6.40 2.30 1 -13 3 7.40 2.20 1 13 3 8.70 2.00 1 13 3 7.20 3.60 1 13 3 7.10 4.90 -1 13 -3 11.00 4.30 3 -13 3 37.20 4.60 -3 13 -3 41.00 6.60 3 13 3 34.50 8.30 3 13 3 40.30 4.10 3 13 3 34.60 6.70 5 -13 3 95.29 8.80 -5 13 -3 111.29 15.30 5 13 3 86.49 11.80 -5 13 -3 95.39 11.00 7 -13 3 25.10 4.70 -7 13 -3 33.10 7.60 -7 13 -3 72.09 9.80 9 13 3 40.90 7.00 -9 13 -3 39.60 7.60 11 -13 3 28.00 4.60 -11 13 -3 21.50 8.10 13 -13 3 1.00 2.50 -13 13 -3 0.90 4.30 15 -13 3 20.60 4.30 -15 13 -3 19.80 9.10 -16 -14 3 -0.10 2.70 -14 -14 3 4.10 3.00 -14 14 3 -2.30 5.80 -12 14 3 34.50 10.20 -10 -14 3 9.50 3.50 -10 14 3 6.50 5.00 -8 -14 3 30.10 3.90 -8 14 3 41.50 9.00 -6 -14 3 66.89 6.60 6 14 -3 63.99 8.00 -6 14 3 79.69 10.80 -4 -14 3 0.20 1.60 4 14 -3 0.20 2.00 -4 14 3 2.80 6.70 -4 14 3 15.10 8.70 -2 -14 3 36.20 4.50 2 -14 -3 40.70 4.00 2 14 -3 28.90 5.00 -2 14 3 45.70 10.40 -2 14 3 38.40 7.60 0 -14 3 104.39 9.80 0 14 -3 104.89 10.90 0 14 3 117.39 14.80 0 14 3 115.19 12.30 0 14 3 133.59 9.50 2 -14 3 91.39 10.00 -2 14 -3 111.79 11.40 2 14 3 113.39 14.20 2 14 3 124.69 9.20 2 14 3 112.39 12.50 4 -14 3 2.10 2.10 4 14 3 1.40 4.20 -4 14 -3 4.60 3.60 6 -14 3 2.00 2.20 -6 14 -3 3.60 3.90 6 14 3 2.20 3.70 -8 14 -3 34.00 7.90 8 14 3 31.00 6.70 10 -14 3 9.30 3.00 -10 14 -3 9.50 7.00 12 -14 3 59.99 7.10 -12 14 -3 59.59 10.50 14 -14 3 48.80 6.00 -14 14 -3 42.20 10.10 15 -15 -3 2.70 2.30 -15 -15 3 0.00 2.50 -13 -15 3 39.20 5.30 -13 15 3 31.00 10.60 -11 -15 3 37.90 6.10 -11 15 3 34.30 9.30 -9 15 3 97.99 12.90 -7 15 3 35.40 8.70 -5 -15 3 9.00 2.70 -5 15 3 15.10 7.30 -5 15 3 25.30 9.90 5 15 -3 5.00 3.10 3 -15 -3 7.50 2.30 -3 -15 3 5.90 2.20 -3 15 3 16.80 9.40 -3 15 3 7.70 4.50 1 -15 -3 43.50 4.30 -1 15 3 41.60 8.00 -1 15 3 40.80 4.10 1 15 -3 28.80 5.10 -1 15 3 48.00 10.70 1 -15 3 80.29 7.80 1 15 3 92.09 7.20 1 15 3 81.49 12.70 -1 15 -3 75.39 9.10 1 15 3 82.39 10.90 3 -15 3 222.78 17.70 -3 15 -3 217.28 19.60 3 15 3 216.18 21.80 5 -15 3 2.50 2.30 -5 15 -3 3.60 3.90 5 15 3 1.60 4.00 7 -15 3 5.00 2.60 7 15 3 4.90 3.70 -7 15 -3 4.80 3.90 9 -15 3 0.40 2.30 11 -15 3 2.30 2.50 -11 15 -3 1.50 4.20 13 -15 3 94.89 10.90 -13 15 -3 78.69 15.90 14 -16 -3 7.50 3.10 -14 16 3 -0.20 6.30 -14 16 3 -0.10 6.50 -12 16 3 18.30 9.40 -10 16 3 8.80 6.00 -8 16 3 1.70 4.60 6 -16 -3 81.69 7.10 -6 -16 3 60.29 6.60 -6 16 3 76.39 13.90 -6 16 3 65.49 10.70 -4 -16 3 3.10 2.10 4 -16 -3 3.60 1.80 -4 16 3 5.80 6.10 4 16 -3 0.60 3.70 -4 16 3 5.30 5.00 -2 -16 3 1.70 2.00 2 -16 -3 1.70 1.60 -2 16 3 2.70 4.10 -2 16 3 3.40 5.90 2 16 -3 1.40 2.00 0 -16 3 60.69 6.30 0 16 -3 53.69 7.40 0 16 3 59.99 9.30 0 16 3 61.29 11.90 2 -16 3 16.30 3.70 2 16 3 15.30 8.30 2 16 3 17.10 6.50 4 -16 3 72.59 7.40 -4 16 -3 70.99 9.80 4 16 3 71.09 11.10 6 -16 3 35.10 5.00 6 16 3 35.40 8.20 8 -16 3 6.10 2.90 8 16 3 15.60 5.50 -8 16 -3 11.30 9.20 10 -16 3 -0.40 2.30 -10 16 -3 1.60 4.30 12 -16 3 4.70 3.40 13 -17 -3 -0.30 2.40 -13 17 3 -3.60 6.90 11 -17 -3 1.50 2.20 -11 17 3 5.30 8.00 -11 17 3 -1.10 5.00 9 -17 -3 15.20 4.00 -9 17 3 9.60 6.20 -9 17 3 23.00 11.60 7 -17 -3 15.40 3.40 -7 17 3 14.30 11.60 -7 17 3 16.90 7.80 -5 -17 3 8.10 2.50 5 -17 -3 11.70 3.10 -5 17 3 15.60 10.20 -5 17 3 12.00 7.30 -3 -17 3 5.90 2.40 3 -17 -3 7.40 2.60 -3 17 3 8.10 6.60 3 17 -3 2.20 4.40 -3 17 3 8.40 5.30 -1 -17 3 0.40 1.90 1 -17 -3 -0.10 2.10 -1 17 3 1.70 3.80 -1 17 3 0.10 5.40 1 -17 3 8.90 3.00 1 17 3 11.10 5.00 -1 17 -3 11.30 4.90 1 17 3 7.80 5.90 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1.70 2 6 4 13.80 4.30 -2 6 -4 14.70 2.30 -4 -6 -4 71.09 10.60 4 -6 4 87.09 8.90 4 -6 4 91.39 7.30 4 6 4 81.29 6.80 -4 6 -4 84.89 7.80 4 6 4 83.69 9.40 -4 6 -4 83.29 10.90 6 -6 4 92.09 7.70 6 -6 4 97.39 9.90 -6 -6 -4 66.39 11.80 6 6 4 85.99 7.10 -6 6 -4 81.09 8.20 6 6 4 80.39 9.60 -6 6 -4 81.99 11.70 8 -6 4 97.29 10.40 -8 -6 -4 106.69 16.50 8 -6 4 154.88 13.70 -8 6 -4 123.69 16.20 8 6 4 127.09 12.80 -8 6 -4 119.49 11.60 -10 -6 -4 44.70 15.00 10 -6 4 57.09 6.10 -10 6 -4 50.59 7.30 10 6 4 50.69 7.60 -10 6 -4 55.59 13.50 12 -6 4 38.20 11.40 12 -6 4 8.70 3.40 12 6 4 8.70 4.50 -12 6 -4 3.70 3.40 14 -6 4 0.00 1.70 -16 -6 -4 1.30 4.20 -16 6 -4 26.10 7.90 -18 -6 -4 7.30 4.80 -18 6 -4 27.70 10.30 -19 -7 4 2.40 3.20 -19 7 4 5.40 2.60 -17 -7 4 13.00 4.60 -17 7 4 10.30 4.20 -17 7 4 -1.80 5.80 -15 -7 4 47.80 7.30 -15 7 4 24.20 8.60 -15 7 4 31.20 5.20 -13 -7 4 94.79 9.30 13 -7 -4 70.39 8.40 -13 -7 4 75.69 7.20 -13 7 4 67.79 7.60 -13 7 4 75.09 11.50 -11 -7 4 80.59 7.60 -11 -7 4 97.89 9.30 11 -7 -4 69.39 8.40 -11 7 4 88.69 11.10 11 7 -4 85.89 9.00 -11 7 4 71.79 7.70 9 -7 -4 26.10 4.20 -9 -7 4 27.70 3.70 -9 7 4 25.70 3.90 -9 7 4 31.20 5.90 -9 7 4 14.30 6.80 -7 -7 4 4.30 2.10 -7 -7 4 4.00 1.60 -7 7 4 8.10 4.60 7 7 -4 4.50 2.00 -7 7 4 5.00 1.80 -5 -7 4 3.40 1.50 -5 -7 4 3.30 1.40 5 7 -4 5.10 1.80 -5 7 4 6.50 3.70 -5 7 4 3.50 1.40 -3 -7 4 25.40 3.10 -3 7 4 25.00 3.00 -3 7 4 27.50 4.60 3 7 -4 30.40 3.50 -3 7 4 28.50 5.90 -1 -7 4 389.16 30.40 -1 -7 4 386.66 31.30 -1 7 4 395.36 33.60 1 7 -4 423.16 30.80 -1 7 4 421.96 32.30 -1 7 4 443.46 31.90 -1 7 4 371.66 30.30 1 -7 4 37.60 5.50 -1 -7 -4 28.30 5.60 1 7 4 36.50 5.50 1 7 4 32.10 6.00 -1 7 -4 28.90 3.60 1 7 4 29.50 4.70 1 7 4 29.20 3.10 -1 7 -4 31.70 3.20 3 -7 4 0.70 0.60 3 -7 4 14.40 4.80 -3 -7 -4 1.80 4.20 3 -7 4 0.60 1.30 3 7 4 0.30 2.60 3 7 4 1.10 1.00 -3 7 -4 -0.20 2.50 -3 7 -4 1.20 1.40 -5 -7 -4 17.70 7.00 5 -7 4 20.90 3.30 5 7 4 23.90 2.60 5 7 4 20.40 5.70 -5 7 -4 20.10 6.40 -7 -7 -4 45.50 11.20 7 -7 4 61.79 6.20 7 7 4 56.29 8.00 -7 7 -4 66.29 11.00 -7 7 -4 60.39 7.20 7 7 4 58.09 5.30 -9 -7 -4 75.39 15.70 9 -7 4 106.99 9.40 -9 7 -4 104.19 11.30 9 7 4 95.59 11.40 -9 7 -4 108.29 15.40 11 -7 4 144.29 11.80 -11 7 -4 120.49 13.20 11 7 4 123.19 16.60 13 7 4 12.20 4.00 -13 7 -4 0.90 3.60 15 -7 4 9.70 3.20 -15 -7 -4 -0.80 4.20 -15 7 -4 14.90 7.30 -17 -7 -4 -0.60 3.40 -17 7 -4 24.30 9.10 -18 -8 4 3.90 5.00 -18 8 4 7.50 3.60 -16 -8 4 43.20 7.00 -16 8 4 30.50 5.00 -16 8 4 19.70 7.60 -14 -8 4 242.18 23.00 -14 8 4 196.08 18.40 -14 8 4 254.67 29.90 -12 -8 4 78.99 7.20 -12 -8 4 104.99 9.80 12 -8 -4 58.39 8.80 -12 8 4 77.59 10.90 -12 8 4 72.19 7.60 -10 -8 4 177.38 14.40 10 -8 -4 159.38 15.50 -10 -8 4 189.18 15.60 10 8 -4 206.08 16.20 -10 8 4 162.38 14.50 -10 8 4 184.08 17.10 -8 -8 4 2.80 1.70 -8 -8 4 1.70 2.20 8 8 -4 1.60 1.90 -8 8 4 3.10 3.00 -8 8 4 1.90 1.70 -6 -8 4 41.50 4.40 -6 -8 4 45.60 4.50 -6 8 4 38.90 4.40 6 8 -4 47.70 5.20 -6 8 4 43.90 6.40 -4 -8 4 80.49 6.70 -4 -8 4 75.29 6.80 -4 8 4 79.29 8.60 4 8 -4 91.29 7.60 -4 8 4 82.49 10.20 -4 8 4 73.99 6.80 -2 -8 4 142.49 12.10 -2 8 4 169.48 13.50 -2 8 4 154.18 15.10 2 8 -4 161.88 12.60 -2 8 4 150.28 13.60 -2 8 4 138.59 11.90 0 -8 4 440.86 34.60 0 8 4 478.25 37.50 0 8 4 439.26 34.50 0 8 -4 437.76 34.80 0 8 4 515.65 37.60 0 8 4 453.25 36.00 2 -8 4 416.46 30.10 -2 -8 -4 370.16 33.30 -2 8 -4 323.77 29.70 2 8 4 410.66 31.50 2 8 4 403.06 29.70 2 8 4 442.66 33.20 -2 8 -4 399.66 30.50 4 -8 4 306.07 22.70 -4 -8 -4 244.48 26.70 4 -8 4 333.07 25.30 4 8 4 283.17 25.00 -4 8 -4 284.77 23.30 4 8 4 297.07 22.20 -4 8 -4 299.17 27.70 6 -8 4 0.70 1.50 6 -8 4 31.70 6.70 -6 8 -4 -0.50 3.90 6 8 4 0.10 2.70 -8 -8 -4 21.60 10.00 8 -8 4 25.80 4.40 -8 8 -4 23.30 5.10 -8 8 -4 28.30 8.70 8 8 4 21.90 6.30 10 -8 4 93.09 8.20 -10 -8 -4 50.19 14.90 -10 8 -4 84.19 13.90 -10 8 -4 78.09 9.50 10 8 4 74.69 9.80 12 -8 4 158.08 12.10 12 8 4 114.59 12.90 -12 8 -4 126.99 14.80 14 -8 4 57.89 6.50 -14 8 -4 59.59 10.40 -16 -8 -4 19.70 8.90 -16 8 -4 52.89 12.70 -19 -9 4 -0.20 3.20 -17 -9 4 113.19 10.20 -17 9 4 82.39 13.50 -17 9 4 90.19 9.00 -15 -9 4 62.49 7.20 -15 9 4 30.20 9.70 -13 -9 4 291.17 21.10 -13 9 4 208.28 19.60 -13 9 4 247.58 23.50 -11 -9 4 128.09 10.40 11 -9 -4 109.69 11.50 -11 9 4 112.69 10.70 -11 9 4 131.69 14.50 11 9 -4 133.69 12.20 -9 -9 4 173.08 14.50 -9 -9 4 191.28 15.40 -9 9 4 184.58 17.50 -9 9 4 163.48 14.60 9 9 -4 197.78 16.10 -7 -9 4 25.20 3.50 -7 -9 4 22.20 3.20 7 9 -4 26.00 4.10 -7 9 4 22.20 3.50 -7 9 4 28.00 6.60 -5 -9 4 85.79 7.10 5 9 -4 91.69 8.20 -5 9 4 79.09 7.30 -5 9 4 85.49 9.40 -3 -9 4 522.65 40.90 -3 9 4 508.05 40.70 -3 9 4 527.05 42.40 -3 9 4 538.95 44.10 -3 9 4 596.04 42.30 3 9 -4 576.84 41.60 1 9 -4 1604.74 119.09 1 -9 4 132.39 10.40 1 9 4 126.79 10.00 1 9 4 125.49 11.90 1 9 4 139.19 13.30 -1 9 -4 113.39 10.30 -1 9 -4 115.79 10.70 3 -9 4 182.28 14.40 -3 -9 -4 166.98 18.40 3 9 4 184.78 17.40 3 9 4 187.18 14.00 -3 9 -4 174.88 15.10 5 -9 4 11.70 3.10 -5 -9 -4 10.70 6.60 -5 9 -4 12.10 6.10 5 9 4 12.60 2.20 -5 9 -4 9.30 3.50 5 9 4 9.90 5.10 7 -9 4 0.70 2.20 -7 -9 -4 0.30 6.30 7 9 4 0.70 3.50 -7 9 -4 -0.50 2.60 -7 9 -4 4.00 5.10 9 -9 4 286.67 20.70 -9 -9 -4 209.38 27.70 9 9 4 243.38 22.50 -9 9 -4 245.98 21.80 -9 9 -4 263.87 27.60 11 -9 4 71.59 6.90 -11 9 -4 45.00 8.90 11 9 4 54.49 7.80 13 -9 4 196.48 17.90 -13 9 -4 182.18 18.40 -15 -9 -4 72.99 10.70 15 -9 4 88.39 8.40 -15 9 -4 102.99 13.10 -17 -9 -4 44.40 8.10 -17 9 -4 38.00 10.80 -16 -10 4 49.00 6.40 -16 10 4 21.20 10.50 -14 -10 4 33.70 6.10 -14 10 4 9.00 9.60 -14 10 4 21.80 4.00 -12 -10 4 42.00 6.00 -12 -10 4 30.20 4.20 -12 10 4 32.00 9.50 -12 10 4 27.30 4.50 10 -10 -4 60.59 7.60 -10 -10 4 82.69 8.30 -10 -10 4 70.19 6.80 10 10 -4 78.89 8.40 -10 10 4 75.69 10.50 -10 10 4 64.79 6.80 -8 -10 4 10.60 3.00 -8 -10 4 13.50 3.70 -8 10 4 9.50 3.10 8 10 -4 13.00 3.50 -8 10 4 18.00 7.10 -6 -10 4 16.50 2.80 -6 -10 4 16.70 2.90 6 10 -4 18.70 3.60 -6 10 4 23.30 6.10 -6 10 4 17.30 2.90 -4 -10 4 38.40 4.10 4 10 -4 43.00 4.90 -4 10 4 33.20 4.90 -4 10 4 36.50 5.40 -4 10 4 40.30 6.50 -4 10 4 35.70 3.90 -4 10 4 45.10 8.50 -2 -10 4 99.89 8.60 2 10 -4 108.69 9.20 -2 10 4 105.39 12.40 -2 10 4 98.99 10.50 -2 10 4 98.49 8.40 0 -10 4 350.36 27.00 0 10 4 362.76 28.70 0 10 4 349.17 26.80 0 10 -4 323.67 27.30 0 10 4 383.96 30.70 2 -10 4 114.39 9.50 2 10 4 119.79 12.60 2 10 4 114.29 11.30 2 10 4 111.39 9.20 -2 10 -4 109.79 10.30 4 -10 4 30.60 4.10 -4 -10 -4 31.20 8.70 -4 10 -4 30.70 8.40 4 10 4 28.20 7.00 -4 10 -4 27.60 5.10 4 10 4 33.60 3.40 -6 -10 -4 3.10 5.90 6 -10 4 3.10 1.90 6 10 4 2.60 3.50 -6 10 -4 3.40 5.10 -6 10 -4 1.80 2.60 6 10 4 5.20 2.10 8 -10 4 15.30 4.10 -8 10 -4 8.40 4.00 -8 10 -4 27.80 8.40 8 10 4 15.90 5.60 10 -10 4 22.20 4.40 10 10 4 18.50 5.50 -10 10 -4 10.60 5.60 12 -10 4 78.39 8.60 14 -10 4 48.90 6.30 -14 10 -4 59.29 10.50 16 -10 4 12.30 3.30 -16 -10 -4 8.90 3.70 -16 10 -4 15.70 8.20 -17 -11 4 1.70 3.90 -17 11 4 -3.60 6.20 -15 -11 4 14.70 5.20 -15 11 4 11.30 3.10 -15 11 4 -3.40 6.50 -15 11 4 -2.80 5.90 -13 -11 4 42.80 6.10 -13 11 4 32.90 4.60 -13 11 4 26.60 10.00 -11 -11 4 3.80 2.10 11 -11 -4 6.30 2.40 -11 -11 4 11.40 4.60 -11 11 4 3.80 4.70 -11 11 4 4.90 2.30 -9 -11 4 20.70 4.30 -9 -11 4 16.80 3.10 9 11 -4 20.40 4.20 -9 11 4 15.90 3.60 -9 11 4 24.10 7.40 -7 -11 4 8.20 2.60 7 11 -4 9.20 2.90 -7 11 4 9.60 2.60 -7 11 4 14.50 6.40 -5 -11 4 28.80 3.90 -5 11 4 43.20 9.30 -5 11 4 40.80 7.80 5 11 -4 30.80 4.60 -5 11 4 30.90 3.80 -3 -11 4 10.70 2.50 -3 11 4 10.10 2.20 3 11 -4 10.50 2.80 -3 11 4 13.40 5.00 -3 11 4 16.70 7.20 -1 -11 4 43.60 4.40 1 11 -4 37.30 4.70 -1 11 4 45.00 6.90 -1 11 4 48.80 8.80 1 11 -4 39.50 5.00 1 -11 4 64.59 5.90 1 11 4 65.79 8.00 1 11 4 67.79 10.00 -1 11 -4 46.50 5.90 -1 11 -4 61.39 6.70 1 11 4 66.69 5.60 3 -11 4 11.40 2.90 3 11 4 9.70 6.30 -3 11 -4 10.30 4.00 3 11 4 11.60 2.10 5 -11 4 33.60 4.80 -5 -11 -4 44.00 10.40 -5 11 -4 40.40 9.90 5 11 4 42.70 4.10 5 11 4 32.00 7.60 -5 11 -4 37.20 6.40 -7 -11 -4 14.00 7.50 7 -11 4 11.80 3.90 -7 11 -4 26.30 8.40 7 11 4 11.60 5.80 9 -11 4 8.90 3.10 9 11 4 8.00 5.30 -9 11 -4 5.40 3.60 11 -11 4 33.40 5.00 -11 11 -4 32.60 8.10 11 11 4 29.60 5.80 13 -11 4 13.20 4.30 -13 11 -4 22.80 8.30 15 -11 4 0.80 2.20 -15 11 -4 2.20 6.90 -16 -12 4 24.50 7.10 -16 12 4 10.60 6.00 -14 -12 4 65.79 7.40 -14 12 4 51.49 13.60 -14 12 4 50.19 10.60 -12 -12 4 87.19 8.80 -12 12 4 61.29 6.70 -12 12 4 68.69 11.30 -10 -12 4 58.39 6.20 -10 -12 4 52.39 5.50 -10 12 4 57.39 10.70 -10 12 4 46.90 6.00 -8 -12 4 8.40 2.90 -8 -12 4 7.40 3.00 8 12 -4 6.90 2.70 -8 12 4 6.90 2.80 -8 12 4 11.90 7.00 -6 -12 4 0.80 2.00 -6 12 4 0.10 1.70 -6 12 4 3.30 4.30 6 12 -4 0.30 1.90 -6 12 4 2.10 3.80 -4 -12 4 160.68 13.50 4 12 -4 170.48 14.60 -4 12 4 171.68 16.20 -4 12 4 160.58 13.20 -4 12 4 170.28 17.80 -2 -12 4 57.89 6.10 -2 12 4 65.99 8.70 -2 12 4 67.69 10.90 -2 12 4 61.29 5.60 0 -12 4 176.88 13.80 0 -12 -4 176.88 13.10 0 12 -4 146.39 14.20 0 12 4 177.68 16.00 0 12 4 175.28 13.30 0 12 4 181.98 18.20 0 12 -4 149.59 14.10 2 -12 4 152.88 12.80 -2 12 -4 149.69 13.80 2 12 4 161.38 12.30 2 12 4 155.68 14.90 2 12 4 155.78 16.80 4 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239.88 22.70 1 -13 4 170.78 14.30 1 13 4 189.88 13.90 1 13 4 178.58 18.90 -1 13 -4 162.68 15.80 1 13 4 175.28 16.70 3 13 4 19.30 2.80 3 13 4 15.80 7.60 -3 13 -4 19.80 5.30 5 -13 4 8.80 2.90 -5 13 -4 33.00 8.70 -5 13 -4 16.30 5.80 5 13 4 8.00 4.90 5 13 4 12.30 3.00 7 -13 4 106.89 10.00 -7 13 -4 108.29 12.10 7 13 4 104.29 13.20 9 -13 4 80.29 7.90 9 13 4 74.69 9.90 -9 13 -4 63.79 10.00 11 -13 4 109.09 10.30 -11 13 -4 107.29 13.20 13 -13 4 27.40 4.90 -13 13 -4 25.00 8.40 15 -13 4 37.50 5.10 -15 13 -4 32.20 9.50 -16 -14 4 9.30 3.70 -16 14 4 -2.90 5.60 -16 14 4 -0.30 5.80 -14 -14 4 -1.30 2.40 -12 14 4 -2.00 5.60 -12 14 4 6.00 7.30 -10 -14 4 1.90 2.80 -10 14 4 3.00 4.90 -10 14 4 15.80 10.50 -8 -14 4 1.80 1.90 -8 14 4 17.50 10.60 -8 14 4 3.40 4.60 -6 -14 4 33.30 4.90 -6 14 4 49.30 9.10 -6 14 4 39.00 4.50 -6 14 4 51.99 12.00 6 14 -4 35.50 5.70 -4 -14 4 2.00 2.00 -4 14 4 1.50 1.50 4 14 -4 0.30 2.00 -4 14 4 5.10 5.90 -4 14 4 3.70 4.20 -2 -14 4 46.00 5.40 -2 14 4 50.29 9.20 -2 14 4 53.49 11.30 -2 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12.40 -2 10 13 65.59 7.30 0 -10 13 28.70 8.80 0 10 13 20.40 4.90 0 10 13 17.80 10.80 2 -10 13 -1.50 3.30 2 10 13 0.70 2.40 2 10 13 0.60 4.70 4 -10 13 2.60 3.40 4 10 13 11.70 3.70 4 10 13 6.30 5.10 -9 -11 13 5.00 3.00 -9 11 13 4.60 2.80 -7 -11 13 35.30 6.00 -7 11 13 45.20 11.00 -7 11 13 34.90 5.30 -5 11 13 63.59 14.90 -3 -11 13 100.89 11.70 -3 11 13 115.09 11.30 -3 11 13 76.09 18.20 -1 -11 13 12.40 6.00 -1 11 13 17.30 5.70 -1 11 13 15.90 9.90 1 -11 13 -2.10 3.40 1 11 13 0.20 2.50 1 11 13 0.30 5.20 3 -11 13 0.90 3.40 3 11 13 5.10 2.50 3 11 13 5.90 5.00 -8 -12 13 6.60 3.40 -8 12 13 5.10 3.00 -8 12 13 44.50 8.60 -6 -12 13 3.00 3.00 -6 12 13 17.00 10.10 -6 12 13 3.60 2.70 -4 -12 13 21.80 5.50 -4 12 13 21.60 4.60 -4 12 13 27.20 10.80 -2 -12 13 9.40 3.80 -2 12 13 15.50 9.90 -2 12 13 16.00 4.30 0 -12 13 19.40 6.10 0 12 13 21.40 9.40 0 12 13 24.90 4.50 2 -12 13 6.20 4.00 2 12 13 19.30 3.80 2 12 13 16.80 8.60 -7 -13 13 3.00 2.90 -7 13 13 27.10 11.80 -7 13 13 4.30 2.80 -5 -13 13 -1.20 2.70 -5 13 13 -0.50 2.40 -5 13 13 3.40 6.10 -3 -13 13 0.30 3.10 -3 13 13 0.30 2.30 -3 13 13 1.90 5.90 -1 -13 13 8.00 3.50 -1 13 13 14.50 3.80 -1 13 13 7.40 6.00 -12 0 14 23.10 5.70 -12 0 14 32.60 4.80 -10 0 14 168.28 15.90 -10 0 14 163.28 14.60 -8 0 14 99.49 9.70 -8 0 14 100.39 9.30 -6 0 14 90.49 8.50 -6 0 14 85.09 8.60 -4 0 14 44.40 5.40 -4 0 14 46.10 5.80 -2 0 14 2.80 3.70 -2 0 14 0.00 1.90 -2 0 14 2.20 2.30 0 0 14 15.00 3.60 0 0 14 12.60 6.20 2 0 14 81.59 9.10 2 0 14 58.69 10.60 4 0 14 90.59 13.30 6 0 14 115.29 14.80 -13 -1 14 3.50 2.30 -13 -1 14 1.00 3.40 -13 1 14 1.00 3.40 -11 -1 14 44.70 5.60 -11 -1 14 44.20 6.70 -11 1 14 53.89 6.20 -11 1 14 44.40 6.40 -9 -1 14 27.60 5.30 -9 -1 14 31.30 5.00 -9 1 14 28.60 5.20 -9 1 14 33.80 5.00 -7 -1 14 31.80 4.90 -7 -1 14 27.20 5.00 -7 1 14 26.80 5.20 -7 1 14 32.00 4.70 -5 -1 14 41.50 5.40 -5 -1 14 38.80 5.50 -5 1 14 44.10 5.90 -5 1 14 43.30 5.30 -3 -1 14 1.10 2.10 -3 -1 14 3.80 3.40 -3 -1 14 0.90 2.20 -3 1 14 1.00 1.90 -3 1 14 2.70 3.40 -3 1 14 1.90 2.30 -1 -1 14 -0.90 3.60 -1 -1 14 -1.60 1.90 -1 -1 14 -0.70 1.80 -1 1 14 0.10 2.10 -1 1 14 0.20 3.40 1 -1 14 9.70 6.70 1 -1 14 12.40 3.30 1 1 14 14.50 3.60 1 1 14 12.00 6.50 3 -1 14 25.30 11.30 3 1 14 31.30 5.00 3 1 14 31.40 14.30 5 -1 14 41.60 9.80 5 1 14 45.30 10.40 -12 -2 14 -2.20 2.70 -12 -2 14 0.70 2.40 -12 2 14 -0.40 3.10 -10 -2 14 2.90 4.50 -10 -2 14 2.90 3.20 -10 2 14 1.60 4.40 -8 -2 14 2.10 2.60 -8 -2 14 0.20 2.60 -8 2 14 2.10 2.10 -8 2 14 1.50 3.00 -6 -2 14 5.20 2.80 -6 -2 14 4.10 2.60 -6 2 14 4.20 2.20 -6 2 14 4.20 2.70 -4 -2 14 17.60 4.00 -4 -2 14 15.80 3.80 -4 2 14 23.50 6.20 -4 2 14 17.90 4.40 -4 2 14 19.30 3.50 -2 -2 14 -1.40 1.80 -2 -2 14 0.80 3.60 -2 -2 14 -1.40 2.10 -2 2 14 0.00 2.10 -2 2 14 0.00 3.30 0 -2 14 -0.70 1.80 0 2 14 0.30 3.40 0 2 14 0.50 2.00 2 -2 14 -0.80 6.10 2 2 14 0.50 3.80 2 2 14 0.90 4.30 4 -2 14 1.60 5.30 4 2 14 -0.80 4.40 4 2 14 1.00 2.00 6 -2 14 7.20 7.00 6 2 14 0.70 4.90 -13 -3 14 2.60 2.20 -13 -3 14 -1.50 4.50 -13 3 14 0.80 3.20 -11 -3 14 27.10 5.10 -11 -3 14 30.50 4.70 -11 3 14 28.80 5.70 -9 -3 14 63.89 7.10 -9 -3 14 52.69 9.30 -9 3 14 64.39 7.80 -9 3 14 65.59 8.10 -7 -3 14 60.09 6.90 -7 -3 14 68.79 7.30 -7 3 14 63.59 7.40 -7 3 14 72.19 6.90 -5 -3 14 21.70 4.60 -5 -3 14 18.00 4.10 -5 3 14 26.30 3.80 -5 3 14 28.20 7.30 -5 3 14 21.40 4.80 -3 -3 14 7.90 2.90 -3 -3 14 10.90 3.30 -3 3 14 12.00 3.70 -3 3 14 14.50 6.40 -1 -3 14 -1.10 4.90 -1 -3 14 1.60 2.20 -1 3 14 2.80 3.90 -1 3 14 3.90 2.50 1 -3 14 0.20 5.50 1 3 14 5.70 4.90 1 3 14 4.20 2.30 3 -3 14 63.89 12.60 3 3 14 51.79 11.60 3 3 14 70.49 6.90 5 -3 14 37.20 10.60 5 3 14 21.30 8.70 -12 -4 14 11.60 3.90 -12 -4 14 3.60 3.00 -12 4 14 6.40 3.60 -10 -4 14 68.89 7.60 -10 -4 14 87.29 8.10 -10 4 14 61.99 8.40 -8 -4 14 83.39 7.90 -8 -4 14 52.19 8.60 -8 4 14 76.69 8.00 -6 -4 14 69.49 7.60 -6 -4 14 81.29 8.10 -6 4 14 87.79 8.70 -4 -4 14 20.00 4.70 -4 4 14 24.90 6.80 -4 4 14 22.80 4.90 -2 -4 14 0.30 2.60 -2 4 14 3.10 4.20 -2 4 14 1.50 2.30 0 -4 14 17.30 7.70 0 -4 14 21.80 4.40 0 4 14 31.80 8.80 0 4 14 33.70 4.50 2 -4 14 42.00 15.00 2 4 14 35.50 5.00 4 -4 14 97.99 15.70 4 4 14 83.39 8.00 4 4 14 69.79 12.20 -11 -5 14 26.20 4.50 -11 -5 14 32.10 5.10 -11 5 14 27.70 5.20 -9 -5 14 32.50 7.70 -9 5 14 25.30 7.80 -7 -5 14 19.70 4.60 -7 5 14 16.50 4.50 -5 -5 14 46.40 6.30 -5 5 14 51.59 9.00 -5 5 14 49.30 6.50 -3 -5 14 1.70 2.50 -3 5 14 2.70 4.20 -3 5 14 1.60 2.70 -1 -5 14 -0.60 2.40 -1 5 14 2.60 2.40 -1 5 14 2.70 4.50 1 -5 14 3.60 11.60 1 -5 14 1.60 2.80 1 5 14 10.50 3.90 1 5 14 6.90 5.40 3 -5 14 37.70 15.50 3 5 14 15.40 7.40 3 5 14 17.80 4.00 5 5 14 83.69 12.90 -12 -6 14 2.40 3.30 -12 6 14 1.80 4.50 -10 -6 14 8.30 3.20 -10 6 14 5.70 3.50 -8 -6 14 3.30 3.50 -8 6 14 4.90 4.90 -6 -6 14 14.50 4.80 -6 6 14 27.40 8.20 -6 6 14 17.10 4.90 -4 -6 14 24.90 5.20 -4 6 14 25.90 8.00 -4 6 14 24.70 5.10 -2 -6 14 5.20 3.10 -2 6 14 5.00 4.80 -2 6 14 5.40 2.70 0 -6 14 -3.00 4.40 0 6 14 -0.80 3.10 0 6 14 1.10 5.70 2 -6 14 49.80 20.00 2 -6 14 -2.80 3.20 2 6 14 5.90 2.60 2 6 14 5.20 5.00 4 -6 14 113.69 22.90 -11 -7 14 3.80 2.70 -11 7 14 3.50 3.20 -9 -7 14 39.10 5.70 -9 7 14 33.40 5.40 -5 -7 14 17.10 5.00 -5 7 14 19.90 9.80 -5 7 14 21.70 4.90 -3 -7 14 2.50 2.80 -3 7 14 3.80 2.90 -3 7 14 2.60 7.00 -1 -7 14 -1.30 3.70 -1 7 14 -0.90 3.80 -1 7 14 1.20 5.40 1 -7 14 -6.80 14.80 1 -7 14 3.60 2.90 1 7 14 9.70 6.10 1 7 14 10.10 3.80 3 -7 14 74.39 20.30 3 7 14 20.50 4.40 3 7 14 17.50 8.50 -10 -8 14 30.80 5.10 -10 8 14 25.40 5.00 -8 -8 14 93.49 9.30 -8 8 14 88.19 9.00 -6 -8 14 26.90 6.30 -6 8 14 54.59 9.20 -6 8 14 38.80 7.00 -4 -8 14 26.50 6.70 -4 8 14 35.30 11.00 -2 -8 14 -0.60 3.20 -2 8 14 0.10 3.90 -2 8 14 1.10 5.80 0 -8 14 1.80 2.90 0 8 14 5.70 2.70 0 8 14 5.40 5.00 2 8 14 52.39 5.90 2 8 14 51.39 10.40 -9 -9 14 68.29 7.50 -9 9 14 63.99 7.20 -7 -9 14 76.29 8.60 -7 9 14 80.19 8.50 -7 9 14 101.09 13.40 -5 -9 14 89.89 9.60 -5 9 14 97.19 13.90 -5 9 14 87.99 9.10 -3 -9 14 12.70 4.60 -3 9 14 15.20 3.90 -3 9 14 16.80 8.70 -1 -9 14 -1.00 3.00 -1 9 14 0.10 2.30 -1 9 14 1.10 5.10 1 -9 14 15.50 5.10 1 9 14 28.50 4.50 1 9 14 26.80 9.00 -8 -10 14 2.60 2.70 -8 10 14 2.90 2.60 -6 -10 14 5.40 3.40 -6 10 14 27.90 8.40 -6 10 14 4.30 2.80 -4 -10 14 38.40 6.50 -4 10 14 46.10 10.90 -4 10 14 45.10 5.90 -2 -10 14 0.10 3.00 -2 10 14 2.70 2.60 -2 10 14 3.80 5.40 0 -10 14 -1.30 3.00 0 10 14 1.30 2.30 0 10 14 1.50 4.80 -5 -11 14 0.10 2.70 -5 11 14 16.20 9.10 -5 11 14 0.50 2.50 -3 -11 14 3.90 3.50 -3 11 14 6.20 5.70 -3 11 14 4.50 2.50 -1 -11 14 -0.20 3.60 -1 11 14 1.10 2.20 -1 11 14 3.50 5.20 -10 0 15 2.20 2.20 -10 0 15 -0.70 2.50 -8 0 15 -1.00 2.40 -8 0 15 1.10 2.10 -6 0 15 -1.00 2.10 -6 0 15 -0.50 2.00 -4 0 15 -1.20 2.50 -4 0 15 -0.30 2.00 -2 0 15 -0.70 1.90 0 0 15 -1.40 1.80 0 0 15 -0.50 3.70 -9 -1 15 88.49 8.60 -9 -1 15 83.49 8.80 -9 1 15 98.69 8.50 -9 1 15 86.69 9.00 -7 -1 15 19.60 4.40 -7 -1 15 23.30 4.20 -7 1 15 21.80 4.60 -7 1 15 24.80 4.00 -5 -1 15 1.70 2.30 -5 -1 15 3.40 2.20 -5 1 15 3.50 3.00 -5 1 15 4.20 2.10 -3 -1 15 43.60 5.50 -3 -1 15 50.99 5.90 -3 1 15 54.29 11.10 -3 1 15 64.19 7.80 -1 -1 15 4.50 2.30 -1 -1 15 16.30 6.70 -1 1 15 11.50 6.40 -1 1 15 5.00 2.40 1 -1 15 35.40 9.40 1 1 15 45.70 5.10 1 1 15 40.40 8.90 3 -1 15 1.20 5.40 3 1 15 2.70 4.90 -10 -2 15 104.29 10.10 -10 -2 15 107.89 9.80 -10 2 15 104.09 10.30 -8 -2 15 39.20 5.80 -8 -2 15 50.19 5.90 -8 2 15 45.00 6.20 -8 2 15 53.09 5.50 -6 -2 15 19.90 4.30 -6 2 15 23.60 4.70 -6 2 15 30.80 3.90 -4 -2 15 1.20 2.10 -4 -2 15 2.50 2.20 -4 2 15 2.10 2.40 -2 -2 15 4.10 3.60 -2 2 15 14.90 5.90 -2 2 15 8.90 3.60 0 -2 15 6.00 5.40 0 2 15 19.30 6.90 0 2 15 17.70 3.70 2 -2 15 33.00 10.90 2 2 15 50.59 9.30 -9 -3 15 25.40 4.90 -9 -3 15 29.20 4.70 -9 3 15 26.90 5.20 -7 -3 15 3.30 2.60 -7 -3 15 0.60 2.50 -7 3 15 3.40 2.80 -5 -3 15 4.00 2.30 -5 3 15 8.20 3.10 -3 -3 15 3.30 2.20 -3 3 15 16.70 5.70 -3 3 15 5.40 2.70 -1 3 15 1.50 3.40 -1 3 15 1.00 2.30 1 -3 15 2.90 6.90 1 3 15 20.50 7.20 1 3 15 25.10 4.00 -10 -4 15 20.20 4.40 -10 4 15 21.00 4.60 -8 -4 15 5.30 2.70 -8 4 15 4.80 2.80 -6 -4 15 9.80 3.10 -6 4 15 8.40 3.20 -4 -4 15 -0.90 2.30 -4 4 15 -0.70 2.30 -2 -4 15 -1.20 2.00 -2 4 15 -0.20 2.20 -2 4 15 1.50 3.30 0 4 15 -0.50 2.10 0 4 15 -0.60 3.50 2 4 15 -0.20 2.00 2 4 15 -1.10 3.60 -9 -5 15 19.20 4.40 -9 5 15 16.90 4.60 -7 -5 15 13.50 4.20 -7 5 15 13.10 4.40 -5 -5 15 -0.20 2.40 -5 5 15 -0.60 2.20 -3 -5 15 -1.20 2.30 -3 5 15 2.50 3.20 -3 5 15 0.30 2.30 -1 -5 15 -1.60 2.10 -1 5 15 1.90 3.70 -1 5 15 2.30 2.40 1 5 15 20.70 7.50 1 5 15 27.70 4.30 -8 -6 15 18.50 4.50 -8 6 15 20.20 4.30 -6 -6 15 2.50 2.70 -6 6 15 2.70 2.70 -4 -6 15 2.00 2.60 -4 6 15 2.90 2.40 -2 -6 15 16.60 4.30 -2 6 15 23.70 4.30 -2 6 15 25.90 7.70 0 6 15 42.00 5.40 0 6 15 40.90 9.10 -7 -7 15 11.10 3.80 -7 7 15 13.20 4.30 -5 -7 15 -0.60 2.60 -5 7 15 -0.80 2.40 -3 7 15 0.60 2.20 -3 7 15 10.90 6.60 -1 -7 15 21.80 6.30 -1 7 15 48.00 5.40 -1 7 15 42.90 9.10 -4 -8 15 2.80 2.90 -4 8 15 7.10 3.50 -4 8 15 36.80 12.20 -2 8 15 2.20 4.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 39120 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Rh1 Rh 0.53978(2) 0.38288(2) 0.37873(2) 0.02916(14) Uani 1 1 d . . . . . F1 F 0.49904(17) 0.92274(13) 0.49604(18) 0.0444(7) Uani 1 1 d . . . . . F2 F 0.57982(16) 0.93513(15) 0.3962(2) 0.0496(8) Uani 1 1 d . . . . . F3 F 0.45636(16) 0.93153(13) 0.33564(19) 0.0410(7) Uani 1 1 d . . . . . O1 O 0.5545(2) 0.23445(19) 0.3993(3) 0.0469(10) Uani 1 1 d . . . . . N1 N 0.6556(2) 0.40597(19) 0.4074(2) 0.0277(9) Uani 1 1 d . . . . . N2 N 0.5355(2) 0.48112(19) 0.3795(2) 0.0269(9) Uani 1 1 d . . . . . N3 N 0.4222(2) 0.3979(2) 0.3573(2) 0.0329(10) Uani 1 1 d . . . . . C1 C 0.7167(3) 0.3634(2) 0.4275(3) 0.0318(11) Uani 1 1 d . . . . . H1 H 0.7070 0.3169 0.4250 0.038 Uiso 1 1 calc R U . . . C2 C 0.7927(3) 0.3856(2) 0.4516(3) 0.0326(12) Uani 1 1 d . . . . . H2 H 0.8341 0.3546 0.4668 0.039 Uiso 1 1 calc R U . . . C3 C 0.8083(3) 0.4524(2) 0.4534(3) 0.0317(11) Uani 1 1 d . . . . . H3 H 0.8604 0.4682 0.4692 0.038 Uiso 1 1 calc R U . . . C4 C 0.7467(3) 0.4965(2) 0.4319(3) 0.0279(11) Uani 1 1 d . . . . . H4 H 0.7561 0.5430 0.4319 0.033 Uiso 1 1 calc R U . . . C5 C 0.6716(3) 0.4725(2) 0.4104(3) 0.0251(10) Uani 1 1 d . . . . . C6 C 0.6024(3) 0.5163(2) 0.3933(3) 0.0251(11) Uani 1 1 d . . . . . C7 C 0.6006(3) 0.5843(2) 0.3941(3) 0.0264(11) Uani 1 1 d . . . . . H7 H 0.6477 0.6088 0.4014 0.032 Uiso 1 1 calc R U . . . C8 C 0.5295(3) 0.6182(2) 0.3844(3) 0.0282(11) Uani 1 1 d . . . . . C9 C 0.4611(3) 0.5799(3) 0.3727(3) 0.0298(11) Uani 1 1 d . . . . . H9 H 0.4121 0.6011 0.3673 0.036 Uiso 1 1 calc R U . . . C10 C 0.4655(3) 0.5115(2) 0.3691(3) 0.0282(11) Uani 1 1 d . . . . . C11 C 0.4005(3) 0.4633(3) 0.3556(3) 0.0304(12) Uani 1 1 d . . . . . C12 C 0.3234(3) 0.4820(3) 0.3423(3) 0.0356(12) Uani 1 1 d . . . . . H12 H 0.3095 0.5277 0.3408 0.043 Uiso 1 1 calc R U . . . C13 C 0.2663(3) 0.4329(3) 0.3310(3) 0.0401(14) Uani 1 1 d . . . . . H13 H 0.2130 0.4450 0.3217 0.048 Uiso 1 1 calc R U . . . C14 C 0.2871(3) 0.3675(3) 0.3334(3) 0.0404(14) Uani 1 1 d . . . . . H14 H 0.2488 0.3335 0.3267 0.049 Uiso 1 1 calc R U . . . C15 C 0.3655(3) 0.3516(3) 0.3459(3) 0.0364(13) Uani 1 1 d . . . . . H15 H 0.3798 0.3060 0.3465 0.044 Uiso 1 1 calc R U . . . C16 C 0.5259(3) 0.6917(2) 0.3878(3) 0.0268(11) Uani 1 1 d . . . . . C17 C 0.4557(3) 0.7256(2) 0.3501(3) 0.0313(11) Uani 1 1 d . . . . . H17 H 0.4103 0.7011 0.3220 0.038 Uiso 1 1 calc R U . . . C18 C 0.4525(3) 0.7934(2) 0.3536(3) 0.0303(11) Uani 1 1 d . . . . . H18 H 0.4049 0.8155 0.3273 0.036 Uiso 1 1 calc R U . . . C19 C 0.5180(3) 0.8305(2) 0.3953(3) 0.0285(11) Uani 1 1 d . . . . . C20 C 0.5877(3) 0.7983(2) 0.4333(3) 0.0290(11) Uani 1 1 d . . . . . H20 H 0.6326 0.8232 0.4623 0.035 Uiso 1 1 calc R U . . . C21 C 0.5913(3) 0.7300(2) 0.4286(3) 0.0297(11) Uani 1 1 d . . . . . H21 H 0.6394 0.7083 0.4536 0.036 Uiso 1 1 calc R U . . . C22 C 0.5132(3) 0.9041(3) 0.4049(3) 0.0365(12) Uani 1 1 d . . . . . C23 C 0.5469(3) 0.2909(3) 0.3883(3) 0.0355(13) Uani 1 1 d . . . . . S1 S 0.2645(6) 0.1854(4) 0.2724(7) 0.0307(9) Uani 0.394(7) 1 d D . P A 1 O2 O 0.2024(7) 0.1381(6) 0.2519(12) 0.047(2) Uani 0.394(7) 1 d D . P A 1 O3 O 0.272(5) 0.2340(12) 0.197(2) 0.0579(18) Uani 0.394(7) 1 d D . P A 1 O4 O 0.2759(9) 0.2135(6) 0.3720(7) 0.0451(19) Uani 0.394(7) 1 d D . P A 1 C24 C 0.3515(8) 0.1349(6) 0.2768(9) 0.0332(16) Uani 0.394(7) 1 d D . P A 1 F4 F 0.4215(12) 0.163(2) 0.299(5) 0.056(3) Uani 0.394(7) 1 d D . P A 1 F5 F 0.3496(8) 0.1014(8) 0.1908(10) 0.0477(17) Uani 0.394(7) 1 d D . P A 1 F6 F 0.3595(10) 0.0909(6) 0.3524(9) 0.058(2) Uani 0.394(7) 1 d D . P A 1 S1B S 0.2707(4) 0.1701(3) 0.2614(4) 0.0307(9) Uani 0.606(7) 1 d D . P A 2 O2B O 0.2135(4) 0.1250(4) 0.2088(7) 0.047(2) Uani 0.606(7) 1 d D . P A 2 O3B O 0.275(3) 0.2285(7) 0.2019(15) 0.0579(18) Uani 0.606(7) 1 d D . P A 2 O4B O 0.2668(5) 0.1786(4) 0.3660(5) 0.0451(19) Uani 0.606(7) 1 d D . P A 2 C24B C 0.3623(5) 0.1264(4) 0.2648(6) 0.0332(16) Uani 0.606(7) 1 d D . P A 2 F4B F 0.4179(8) 0.1677(13) 0.310(3) 0.056(3) Uani 0.606(7) 1 d D . P A 2 F5B F 0.3748(5) 0.1141(5) 0.1719(6) 0.0477(17) Uani 0.606(7) 1 d D . P A 2 F6B F 0.3624(6) 0.0683(4) 0.3126(7) 0.058(2) Uani 0.606(7) 1 d D . P A 2 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 Rh1 0.0230(2) 0.0429(2) 0.0225(2) -0.01083(16) 0.00663(15) -0.00244(18) F1 0.054(2) 0.0449(17) 0.0328(15) -0.0050(13) 0.0053(14) 0.0197(15) F2 0.0291(18) 0.052(2) 0.067(2) -0.0024(15) 0.0082(15) 0.0031(15) F3 0.0311(17) 0.0513(18) 0.0365(15) 0.0129(13) -0.0028(13) 0.0100(14) O1 0.047(3) 0.043(2) 0.056(2) -0.0192(19) 0.0215(19) -0.010(2) N1 0.025(2) 0.037(2) 0.0211(19) -0.0108(17) 0.0061(17) -0.0028(19) N2 0.020(2) 0.045(2) 0.0160(18) -0.0105(17) 0.0039(16) 0.0037(19) N3 0.027(2) 0.056(3) 0.0170(19) -0.0144(18) 0.0064(17) -0.005(2) C1 0.032(3) 0.037(3) 0.026(2) -0.009(2) 0.006(2) 0.003(2) C2 0.024(3) 0.041(3) 0.031(3) -0.008(2) 0.001(2) 0.008(2) C3 0.020(3) 0.040(3) 0.033(3) -0.013(2) 0.001(2) 0.002(2) C4 0.021(3) 0.036(3) 0.025(2) -0.009(2) 0.001(2) 0.001(2) C5 0.020(3) 0.038(3) 0.016(2) -0.009(2) 0.001(2) 0.003(2) C6 0.015(3) 0.046(3) 0.013(2) -0.0116(19) -0.0009(19) 0.000(2) C7 0.020(3) 0.038(3) 0.019(2) -0.010(2) 0.0004(19) 0.005(2) C8 0.024(3) 0.046(3) 0.013(2) -0.008(2) -0.0026(19) 0.006(2) C9 0.017(3) 0.058(3) 0.011(2) -0.010(2) -0.0040(19) 0.007(2) C10 0.018(3) 0.050(3) 0.015(2) -0.015(2) 0.0006(19) -0.001(2) C11 0.023(3) 0.055(3) 0.012(2) -0.016(2) 0.001(2) -0.002(3) C12 0.024(3) 0.062(4) 0.020(2) -0.013(2) 0.003(2) 0.000(3) C13 0.018(3) 0.078(4) 0.022(2) -0.013(3) -0.001(2) -0.001(3) C14 0.030(3) 0.066(4) 0.026(3) -0.015(3) 0.008(2) -0.010(3) C15 0.035(3) 0.056(3) 0.019(2) -0.011(2) 0.009(2) -0.003(3) C16 0.021(3) 0.044(3) 0.013(2) -0.009(2) -0.0038(19) 0.007(2) C17 0.022(3) 0.048(3) 0.020(2) -0.011(2) -0.004(2) 0.007(2) C18 0.017(3) 0.048(3) 0.023(2) -0.008(2) -0.003(2) 0.010(2) C19 0.022(3) 0.041(3) 0.021(2) -0.005(2) 0.000(2) 0.008(2) C20 0.017(3) 0.046(3) 0.023(2) -0.004(2) -0.001(2) 0.002(2) C21 0.024(3) 0.045(3) 0.018(2) -0.007(2) -0.002(2) 0.007(2) C22 0.026(3) 0.053(3) 0.029(3) 0.003(2) 0.001(2) 0.007(3) C23 0.028(3) 0.051(4) 0.032(3) -0.019(2) 0.016(2) -0.009(3) S1 0.0231(12) 0.018(3) 0.0449(14) 0.0057(13) -0.0085(9) -0.0044(16) O2 0.020(3) 0.025(4) 0.085(7) -0.013(3) -0.015(3) -0.001(3) O3 0.077(5) 0.025(3) 0.073(3) 0.021(2) 0.017(3) 0.000(4) O4 0.031(3) 0.059(6) 0.043(2) -0.004(4) 0.000(2) -0.003(5) C24 0.028(4) 0.035(4) 0.032(3) 0.004(3) -0.007(3) -0.007(3) F4 0.026(2) 0.082(4) 0.060(7) -0.021(3) 0.007(2) -0.017(2) F5 0.044(6) 0.053(4) 0.044(3) -0.007(3) 0.004(3) -0.006(3) F6 0.043(2) 0.049(5) 0.085(6) 0.038(4) 0.018(4) 0.021(4) S1B 0.0231(12) 0.018(3) 0.0449(14) 0.0057(13) -0.0085(9) -0.0044(16) O2B 0.020(3) 0.025(4) 0.085(7) -0.013(3) -0.015(3) -0.001(3) O3B 0.077(5) 0.025(3) 0.073(3) 0.021(2) 0.017(3) 0.000(4) O4B 0.031(3) 0.059(6) 0.043(2) -0.004(4) 0.000(2) -0.003(5) C24B 0.028(4) 0.035(4) 0.032(3) 0.004(3) -0.007(3) -0.007(3) F4B 0.026(2) 0.082(4) 0.060(7) -0.021(3) 0.007(2) -0.017(2) F5B 0.044(6) 0.053(4) 0.044(3) -0.007(3) 0.004(3) -0.006(3) F6B 0.043(2) 0.049(5) 0.085(6) 0.038(4) 0.018(4) 0.021(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -0.0161 2.8414 '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 C23 Rh1 N2 175.73(17) C23 Rh1 N1 99.38(18) N2 Rh1 N1 79.03(15) C23 Rh1 N3 102.00(19) N2 Rh1 N3 79.35(16) N1 Rh1 N3 158.22(17) C1 N1 C5 117.5(4) C1 N1 Rh1 127.6(3) C5 N1 Rh1 114.8(3) C6 N2 C10 121.5(4) C6 N2 Rh1 119.4(3) C10 N2 Rh1 119.1(3) C15 N3 C11 117.7(4) C15 N3 Rh1 127.9(4) C11 N3 Rh1 114.4(3) N1 C1 C2 122.0(4) N1 C1 H1 119.0 C2 C1 H1 119.0 C3 C2 C1 120.1(4) C3 C2 H2 119.9 C1 C2 H2 119.9 C2 C3 C4 118.6(4) C2 C3 H3 120.7 C4 C3 H3 120.7 C5 C4 C3 119.6(4) C5 C4 H4 120.2 C3 C4 H4 120.2 N1 C5 C4 122.1(4) N1 C5 C6 114.8(4) C4 C5 C6 123.0(4) N2 C6 C7 120.3(4) N2 C6 C5 111.9(4) C7 C6 C5 127.8(4) C6 C7 C8 120.4(4) C6 C7 H7 119.8 C8 C7 H7 119.8 C7 C8 C9 117.8(4) C7 C8 C16 121.7(4) C9 C8 C16 120.6(4) C10 C9 C8 119.8(4) C10 C9 H9 120.1 C8 C9 H9 120.1 N2 C10 C9 120.2(4) N2 C10 C11 112.1(4) C9 C10 C11 127.7(4) N3 C11 C12 121.8(5) N3 C11 C10 115.1(4) C12 C11 C10 123.2(5) C11 C12 C13 119.0(5) C11 C12 H12 120.5 C13 C12 H12 120.5 C14 C13 C12 119.8(5) C14 C13 H13 120.1 C12 C13 H13 120.1 C13 C14 C15 118.6(5) C13 C14 H14 120.7 C15 C14 H14 120.7 N3 C15 C14 123.0(5) N3 C15 H15 118.5 C14 C15 H15 118.5 C21 C16 C17 117.6(4) C21 C16 C8 121.6(4) C17 C16 C8 120.8(4) C18 C17 C16 120.6(4) C18 C17 H17 119.7 C16 C17 H17 119.7 C17 C18 C19 120.8(4) C17 C18 H18 119.6 C19 C18 H18 119.6 C20 C19 C18 119.6(4) C20 C19 C22 119.5(4) C18 C19 C22 120.8(4) C21 C20 C19 119.6(4) C21 C20 H20 120.2 C19 C20 H20 120.2 C20 C21 C16 121.7(4) C20 C21 H21 119.2 C16 C21 H21 119.2 F3 C22 F2 106.7(4) F3 C22 F1 105.6(4) F2 C22 F1 105.5(4) F3 C22 C19 113.3(4) F2 C22 C19 112.8(4) F1 C22 C19 112.2(4) O1 C23 Rh1 176.0(5) O4 S1 O3 112.0(14) O4 S1 O2 113.8(9) O3 S1 O2 119(3) O4 S1 C24 103.3(9) O3 S1 C24 102(3) O2 S1 C24 103.7(9) F6 C24 F4 99(3) F6 C24 F5 107.8(12) F4 C24 F5 106(2) F6 C24 S1 110.8(10) F4 C24 S1 119.8(18) F5 C24 S1 112.1(10) O4B S1B O3B 118.0(9) O4B S1B O2B 113.3(5) O3B S1B O2B 110.8(17) O4B S1B C24B 104.3(5) O3B S1B C24B 105(2) O2B S1B C24B 103.6(5) F6B C24B F4B 113.3(18) F6B C24B F5B 107.7(7) F4B C24B F5B 107.4(17) F6B C24B S1B 110.5(6) F4B C24B S1B 105.8(10) F5B C24B S1B 112.0(7) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Rh1 C23 1.857(6) Rh1 N2 1.978(4) Rh1 N1 2.045(4) Rh1 N3 2.048(4) F1 C22 1.351(5) F2 C22 1.350(5) F3 C22 1.340(5) O1 C23 1.150(6) N1 C1 1.357(6) N1 C5 1.366(6) N2 C6 1.352(5) N2 C10 1.354(5) N3 C15 1.349(6) N3 C11 1.368(6) C1 C2 1.382(7) C1 H1 0.9500 C2 C3 1.371(6) C2 H2 0.9500 C3 C4 1.383(6) C3 H3 0.9500 C4 C5 1.379(6) C4 H4 0.9500 C5 C6 1.482(6) C6 C7 1.369(6) C7 C8 1.404(6) C7 H7 0.9500 C8 C9 1.410(6) C8 C16 1.480(6) C9 C10 1.379(6) C9 H9 0.9500 C10 C11 1.482(6) C11 C12 1.382(6) C12 C13 1.394(7) C12 H12 0.9500 C13 C14 1.365(7) C13 H13 0.9500 C14 C15 1.389(7) C14 H14 0.9500 C15 H15 0.9500 C16 C21 1.400(6) C16 C17 1.411(6) C17 C18 1.367(6) C17 H17 0.9500 C18 C19 1.391(6) C18 H18 0.9500 C19 C20 1.389(6) C19 C22 1.489(7) C20 C21 1.378(6) C20 H20 0.9500 C21 H21 0.9500 S1 O4 1.431(3) S1 O3 1.431(3) S1 O2 1.431(3) S1 C24 1.825(6) C24 F6 1.333(3) C24 F4 1.333(3) C24 F5 1.333(3) S1B O4B 1.431(3) S1B O3B 1.431(3) S1B O2B 1.431(3) S1B C24B 1.825(6) C24B F6B 1.333(3) C24B F4B 1.333(3) C24B F5B 1.333(3) 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 C5 N1 C1 C2 0.8(6) Rh1 N1 C1 C2 -176.1(3) N1 C1 C2 C3 -1.5(6) C1 C2 C3 C4 0.7(6) C2 C3 C4 C5 0.7(6) C1 N1 C5 C4 0.6(6) Rh1 N1 C5 C4 178.0(3) C1 N1 C5 C6 -176.8(3) Rh1 N1 C5 C6 0.6(4) C3 C4 C5 N1 -1.4(6) C3 C4 C5 C6 175.8(4) C10 N2 C6 C7 -1.9(6) Rh1 N2 C6 C7 -180.0(3) C10 N2 C6 C5 175.7(3) Rh1 N2 C6 C5 -2.3(4) N1 C5 C6 N2 1.1(5) C4 C5 C6 N2 -176.4(3) N1 C5 C6 C7 178.5(4) C4 C5 C6 C7 1.1(6) N2 C6 C7 C8 2.3(6) C5 C6 C7 C8 -174.9(4) C6 C7 C8 C9 -0.7(6) C6 C7 C8 C16 178.3(4) C7 C8 C9 C10 -1.3(6) C16 C8 C9 C10 179.6(4) C6 N2 C10 C9 -0.2(6) Rh1 N2 C10 C9 177.9(3) C6 N2 C10 C11 -179.6(3) Rh1 N2 C10 C11 -1.5(4) C8 C9 C10 N2 1.8(6) C8 C9 C10 C11 -178.9(4) C15 N3 C11 C12 -0.3(6) Rh1 N3 C11 C12 -179.7(3) C15 N3 C11 C10 179.6(3) Rh1 N3 C11 C10 0.2(4) N2 C10 C11 N3 0.8(5) C9 C10 C11 N3 -178.6(4) N2 C10 C11 C12 -179.3(4) C9 C10 C11 C12 1.4(7) N3 C11 C12 C13 0.5(6) C10 C11 C12 C13 -179.5(4) C11 C12 C13 C14 0.1(6) C12 C13 C14 C15 -0.7(6) C11 N3 C15 C14 -0.4(6) Rh1 N3 C15 C14 178.9(3) C13 C14 C15 N3 0.9(6) C7 C8 C16 C21 -18.3(6) C9 C8 C16 C21 160.7(4) C7 C8 C16 C17 161.9(4) C9 C8 C16 C17 -19.0(6) C21 C16 C17 C18 0.1(6) C8 C16 C17 C18 179.8(4) C16 C17 C18 C19 -0.7(6) C17 C18 C19 C20 0.5(6) C17 C18 C19 C22 -176.3(4) C18 C19 C20 C21 0.4(6) C22 C19 C20 C21 177.2(4) C19 C20 C21 C16 -1.0(6) C17 C16 C21 C20 0.8(6) C8 C16 C21 C20 -178.9(4) C20 C19 C22 F3 156.3(4) C18 C19 C22 F3 -27.0(6) C20 C19 C22 F2 34.8(6) C18 C19 C22 F2 -148.4(4) C20 C19 C22 F1 -84.2(5) C18 C19 C22 F1 92.5(5) O4 S1 C24 F6 56.2(13) O3 S1 C24 F6 173(2) O2 S1 C24 F6 -62.7(13) O4 S1 C24 F4 -58(3) O3 S1 C24 F4 58(4) O2 S1 C24 F4 -177(3) O4 S1 C24 F5 176.7(10) O3 S1 C24 F5 -67(2) O2 S1 C24 F5 57.8(13) O4B S1B C24B F6B 59.6(8) O3B S1B C24B F6B -175.6(13) O2B S1B C24B F6B -59.2(8) O4B S1B C24B F4B -64(2) O3B S1B C24B F4B 61(2) O2B S1B C24B F4B 177.7(19) O4B S1B C24B F5B 179.7(6) O3B S1B C24B F5B -55.5(13) O2B S1B C24B F5B 60.9(8)