#------------------------------------------------------------------------------ #$Date: 2020-02-21 02:55:56 +0200 (Fri, 21 Feb 2020) $ #$Revision: 248352 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/73/1557356.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_1557356 loop_ _publ_author_name 'Dub, Pavel A.' 'Batrice, Rami J.' 'Gordon, John C.' 'Scott, Brian L.' 'Minko, Yury' 'Schmidt, Jurgen G.' 'Williams, Robert F.' _publ_section_title ; Engineering Catalysts for Selective Ester Hydrogenation ; _journal_name_full 'Organic Process Research & Development' _journal_paper_doi 10.1021/acs.oprd.9b00559 _journal_year 2020 _chemical_formula_sum 'C38 H43 Cl2 N O P2 Ru S' _chemical_formula_weight 795.70 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2016/6 _cell_angle_alpha 90 _cell_angle_beta 111.468(18) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.84(2) _cell_length_b 31.81(5) _cell_length_c 10.563(18) _cell_measurement_reflns_used 4034 _cell_measurement_temperature 100(1) _cell_measurement_theta_max 24.03 _cell_measurement_theta_min 2.25 _cell_volume 3702(11) _computing_cell_refinement 'SAINT+, v. 7.66a (Bruker AXS, 2009)' _computing_data_collection 'APEX II, v. 7.0 (Bruker AXS, 2009)' _computing_data_reduction 'SAINT+, v. 7.66a (Bruker AXS, 2009)' _computing_molecular_graphics 'SHELXTL, v. 2014/7, (Bruker AXS, 2014)' _computing_publication_material 'SHELXTL, v. 2014/7, (Bruker AXS, 2014)' _computing_structure_refinement 'SHELXL 2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS 2013/1 (Sheldrick, 2013)' _diffrn_ambient_temperature 100(1) _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.965 _diffrn_measurement_device_type 'Bruker D8 with APEXII CCD' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1738 _diffrn_reflns_av_unetI/netI 0.1478 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.965 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 38 _diffrn_reflns_limit_k_min -38 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 30798 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.965 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.742 _diffrn_reflns_theta_min 1.848 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.742 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.942 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS v. 2.03 (Sheldrick, 2008)' _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.428 _exptl_crystal_description block _exptl_crystal_F_000 1640 _exptl_crystal_size_max 0.330 _exptl_crystal_size_mid 0.110 _exptl_crystal_size_min 0.080 _refine_diff_density_max 1.539 _refine_diff_density_min -1.939 _refine_diff_density_rms 0.167 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.593 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 418 _refine_ls_number_reflns 6826 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.593 _refine_ls_R_factor_all 0.1814 _refine_ls_R_factor_gt 0.1235 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0776P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2626 _refine_ls_wR_factor_ref 0.2766 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4373 _reflns_number_total 6826 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file op9b00559_si_002.cif _cod_data_source_block apx2846_full _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1557356 _shelx_shelxl_version_number 2016/6 _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 0.792 _shelx_estimated_absorpt_t_max 0.943 _shelx_res_file ; TITL apx2846_0m P 21 R New: P21/c apx2846_full.res created by SHELXL-2016/6 at 16:06:37 on 15-Feb-2019 CELL 0.71073 11.8400 31.8100 10.5630 90.000 111.468 90.000 ZERR 4 0.0200 0.0500 0.0180 0.000 0.018 0.000 LATT 1 SYMM - X , 0.50000 + Y , 0.50000 - Z SFAC C H Cl N O P Ru S UNIT 152 172 8 4 4 8 4 4 L.S. 24 FMAP 2 PLAN -20 ACTA BOND $H SIZE 0.08 0.11 0.33 OMIT 0 1 7 OMIT 8 4 0 CONF WGHT 0.077600 FVAR 0.29287 RESI 0 RU1 7 -0.645519 0.331074 -0.742558 11.00000 0.05015 0.02602 = 0.03770 -0.00019 0.03238 0.00026 CL1 3 -0.778530 0.315989 -0.618481 11.00000 0.05562 0.03758 = 0.04342 -0.00286 0.03474 -0.00797 CL2 3 -0.549044 0.335204 -0.909864 11.00000 0.06265 0.03914 = 0.04824 0.00474 0.04059 0.00527 S1 8 -0.508077 0.286778 -0.588518 11.00000 0.04597 0.03632 = 0.03351 0.00074 0.02277 0.00332 P1 6 -0.894021 0.351267 -1.021352 11.00000 0.03830 0.03866 = 0.03761 -0.00558 0.02439 -0.00074 P2 6 -0.585231 0.395301 -0.636702 11.00000 0.03472 0.03249 = 0.02948 0.00536 0.01936 0.00347 O1 5 -0.793963 0.363212 -0.890876 11.00000 0.02954 0.03699 = 0.03221 -0.00854 0.01500 -0.00332 N1 4 -0.715743 0.272572 -0.855515 11.00000 0.03874 0.02936 = 0.02562 -0.00157 0.01025 0.00229 AFIX 3 H1 2 -0.709743 0.272472 -0.935515 11.00000 -1.20000 AFIX 0 C1 1 -0.889405 0.381245 -1.164942 11.00000 0.04239 0.06021 = 0.03759 -0.00550 0.03258 0.00335 C2 1 -0.906860 0.364937 -1.292068 11.00000 0.06359 0.07098 = 0.03896 -0.00661 0.02157 0.00668 AFIX 43 H2 2 -0.921252 0.336284 -1.306965 11.00000 -1.20000 AFIX 0 C3 1 -0.903582 0.389779 -1.396973 11.00000 0.03407 0.13032 = 0.03542 0.01262 0.01120 0.01599 AFIX 43 H3 2 -0.913085 0.377958 -1.480784 11.00000 -1.20000 AFIX 0 C4 1 -0.886261 0.431900 -1.376786 11.00000 0.05067 0.09143 = 0.03835 0.02152 0.02574 0.00458 AFIX 43 H4 2 -0.885297 0.449042 -1.447706 11.00000 -1.20000 AFIX 0 C5 1 -0.870051 0.449421 -1.251272 11.00000 0.04535 0.05913 = 0.07581 0.00533 0.02863 -0.01588 AFIX 43 H5 2 -0.859297 0.478306 -1.239162 11.00000 -1.20000 AFIX 0 C6 1 -0.869640 0.424538 -1.143696 11.00000 0.04799 0.06020 = 0.04359 0.00086 0.02800 -0.01175 AFIX 43 H6 2 -0.856497 0.436319 -1.058901 11.00000 -1.20000 AFIX 0 C7 1 -1.037446 0.360083 -1.007437 11.00000 0.02924 0.03661 = 0.05901 -0.00865 0.01684 -0.01162 C8 1 -1.055351 0.352332 -0.886694 11.00000 0.07003 0.03223 = 0.06685 -0.00495 0.04654 -0.00532 AFIX 43 H8 2 -0.989458 0.344257 -0.810309 11.00000 -1.20000 AFIX 0 C9 1 -1.165446 0.356151 -0.876706 11.00000 0.03475 0.05407 = 0.03393 -0.00490 0.01277 -0.00142 AFIX 43 H9 2 -1.174428 0.350244 -0.794675 11.00000 -1.20000 AFIX 0 C10 1 -1.265948 0.368935 -0.988998 11.00000 0.03261 0.04297 = 0.07734 -0.01493 0.03590 -0.01557 AFIX 43 H10 2 -1.341873 0.370593 -0.982012 11.00000 -1.20000 AFIX 0 C11 1 -1.252999 0.379340 -1.112844 11.00000 0.07059 0.05017 = 0.05842 0.00253 0.04130 0.00199 AFIX 43 H11 2 -1.317916 0.389350 -1.186986 11.00000 -1.20000 AFIX 0 C12 1 -1.136613 0.373810 -1.118737 11.00000 0.07177 0.04560 = 0.06348 -0.02098 0.05165 -0.01991 AFIX 43 H12 2 -1.125807 0.379545 -1.199898 11.00000 -1.20000 AFIX 0 C13 1 -0.889646 0.296060 -1.063787 11.00000 0.04598 0.04835 = 0.06458 -0.01282 0.02926 0.00242 AFIX 23 H13A 2 -0.969388 0.287284 -1.125054 11.00000 -1.20000 H13B 2 -0.833101 0.292189 -1.110001 11.00000 -1.20000 AFIX 0 C14 1 -0.851873 0.269831 -0.939740 11.00000 0.05565 0.03914 = 0.06273 -0.02529 0.03579 -0.02172 AFIX 23 H14A 2 -0.872824 0.240780 -0.965691 11.00000 -1.20000 H14B 2 -0.896762 0.278560 -0.883662 11.00000 -1.20000 AFIX 0 C15 1 -0.669507 0.236167 -0.765096 11.00000 0.12275 0.02098 = 0.08436 0.00522 0.07757 0.00023 AFIX 23 H15A 2 -0.687988 0.210473 -0.818219 11.00000 -1.20000 H15B 2 -0.709105 0.234840 -0.699422 11.00000 -1.20000 AFIX 0 C16 1 -0.533485 0.239870 -0.691196 11.00000 0.04754 0.02777 = 0.07039 -0.00242 0.02665 0.00050 AFIX 23 H16A 2 -0.492998 0.242014 -0.755873 11.00000 -1.20000 H16B 2 -0.502303 0.215413 -0.634240 11.00000 -1.20000 AFIX 0 C17 1 -0.338661 0.290587 -0.531247 11.00000 0.06989 0.02929 = 0.05439 -0.00009 0.03714 0.00001 C18 1 -0.284048 0.247160 -0.487206 11.00000 0.09049 0.05740 = 0.11655 0.00648 0.05854 0.00874 AFIX 137 H18A 2 -0.330844 0.232437 -0.443864 11.00000 -1.50000 H18B 2 -0.201908 0.250051 -0.424484 11.00000 -1.50000 H18C 2 -0.284991 0.231638 -0.565526 11.00000 -1.50000 AFIX 0 C19 1 -0.303715 0.319448 -0.407844 11.00000 0.10226 0.08295 = 0.04516 -0.00819 0.01984 0.00407 AFIX 137 H19A 2 -0.284042 0.346801 -0.432234 11.00000 -1.50000 H19B 2 -0.234543 0.308044 -0.336178 11.00000 -1.50000 H19C 2 -0.370528 0.321696 -0.377315 11.00000 -1.50000 AFIX 0 C20 1 -0.294709 0.309319 -0.631522 11.00000 0.05517 0.11703 = 0.06819 0.02091 0.02762 0.00729 AFIX 137 H20A 2 -0.338773 0.297662 -0.719705 11.00000 -1.50000 H20B 2 -0.209818 0.303358 -0.606495 11.00000 -1.50000 H20C 2 -0.306769 0.339196 -0.633999 11.00000 -1.50000 AFIX 0 C21 1 -0.696264 0.437531 -0.725062 11.00000 0.03808 0.03063 = 0.04636 0.00195 0.02690 -0.00016 C22 1 -0.814877 0.433971 -0.726691 11.00000 0.04927 0.03455 = 0.06680 -0.00073 0.03108 0.00369 AFIX 43 H22 2 -0.836535 0.410781 -0.686953 11.00000 -1.20000 AFIX 0 C23 1 -0.897134 0.463923 -0.785404 11.00000 0.03347 0.06222 = 0.04972 -0.01145 0.00144 0.01061 AFIX 43 H23 2 -0.976356 0.460601 -0.789229 11.00000 -1.20000 AFIX 0 C24 1 -0.866535 0.499733 -0.840514 11.00000 0.10164 0.03526 = 0.06647 0.00710 0.02732 0.02899 AFIX 43 H24 2 -0.923349 0.521048 -0.874743 11.00000 -1.20000 AFIX 0 C25 1 -0.757518 0.503597 -0.844448 11.00000 0.10375 0.03317 = 0.04966 0.01451 0.02839 0.01489 AFIX 43 H25 2 -0.739838 0.526809 -0.887449 11.00000 -1.20000 AFIX 0 C26 1 -0.664583 0.472601 -0.783483 11.00000 0.02810 0.03229 = 0.04645 0.00538 -0.00698 0.01201 AFIX 43 H26 2 -0.586460 0.475925 -0.783223 11.00000 -1.20000 AFIX 0 C27 1 -0.579914 0.403590 -0.460308 11.00000 0.03798 0.02611 = 0.02843 -0.00821 0.01564 -0.00651 C28 1 -0.575704 0.369923 -0.375040 11.00000 0.03499 0.03209 = 0.04986 -0.00340 0.02219 0.00163 AFIX 43 H28 2 -0.574866 0.342544 -0.405560 11.00000 -1.20000 AFIX 0 C29 1 -0.572745 0.377120 -0.244280 11.00000 0.05919 0.02950 = 0.03227 0.00472 0.02374 0.00067 AFIX 43 H29 2 -0.568339 0.354365 -0.187386 11.00000 -1.20000 AFIX 0 C30 1 -0.576276 0.418161 -0.195997 11.00000 0.03413 0.04156 = 0.03892 -0.00443 0.01547 0.00221 AFIX 43 H30 2 -0.574747 0.422855 -0.108484 11.00000 -1.20000 AFIX 0 C31 1 -0.582024 0.450865 -0.281988 11.00000 0.03778 0.02686 = 0.04538 0.00081 0.01976 0.00157 AFIX 43 H31 2 -0.586361 0.478203 -0.252887 11.00000 -1.20000 AFIX 0 C32 1 -0.581556 0.444383 -0.410101 11.00000 0.06135 0.02586 = 0.07230 0.00410 0.04283 -0.00123 AFIX 43 H32 2 -0.582340 0.467395 -0.464722 11.00000 -1.20000 AFIX 0 C33 1 -0.438424 0.418356 -0.624194 11.00000 0.02873 0.02805 = 0.03038 0.00654 0.01559 -0.00128 C34 1 -0.414642 0.422093 -0.747547 11.00000 0.05153 0.03186 = 0.03138 0.01237 0.02134 0.00413 AFIX 43 H34 2 -0.472709 0.414183 -0.830656 11.00000 -1.20000 AFIX 0 C35 1 -0.304862 0.437521 -0.740035 11.00000 0.05845 0.03349 = 0.05897 0.01195 0.04277 0.00389 AFIX 43 H35 2 -0.290922 0.441812 -0.820184 11.00000 -1.20000 AFIX 0 C36 1 -0.213982 0.446962 -0.617921 11.00000 0.01477 0.04722 = 0.06159 0.02106 0.01086 0.00934 AFIX 43 H36 2 -0.137852 0.455003 -0.615995 11.00000 -1.20000 AFIX 0 C37 1 -0.236089 0.444464 -0.496338 11.00000 0.03128 0.06770 = 0.02581 0.00727 -0.00562 -0.00781 AFIX 43 H37 2 -0.176529 0.451755 -0.413513 11.00000 -1.20000 AFIX 0 C38 1 -0.349851 0.430744 -0.503570 11.00000 0.04002 0.03621 = 0.04568 0.00337 0.02729 -0.00298 AFIX 43 H38 2 -0.366739 0.429899 -0.424272 11.00000 -1.20000 AFIX 0 HKLF 4 1 0.0000 0.0000 1.0000 0.0000 -1.0000 0.0000 1.0000 0.0000 0.0000 REM apx2846_0m P 21 R New: P21/c REM R1 = 0.1235 for 4373 Fo > 4sig(Fo) and 0.1814 for all 6826 data REM 418 parameters refined using 0 restraints END WGHT 0.0650 60.2921 REM Highest difference peak 1.539, deepest hole -1.939, 1-sigma level 0.167 Q1 1 -0.5423 0.3338 -0.6600 11.00000 0.05 1.54 Q2 1 -0.7442 0.3360 -0.8373 11.00000 0.05 1.06 Q3 1 -0.6627 0.3624 -0.7716 11.00000 0.05 0.89 Q4 1 -0.6158 0.2988 -0.7253 11.00000 0.05 0.85 Q5 1 -0.5257 0.4945 -0.6609 11.00000 0.05 0.71 Q6 1 -0.5169 0.2505 -0.6012 11.00000 0.05 0.70 Q7 1 -0.4620 0.3405 -0.8312 11.00000 0.05 0.70 Q8 1 -0.6593 0.2851 -0.8147 11.00000 0.05 0.69 Q9 1 -0.6733 0.3112 -0.5429 11.00000 0.05 0.67 Q10 1 -0.5804 0.3382 -0.5808 11.00000 0.05 0.65 Q11 1 -0.8701 0.3196 -0.7246 11.00000 0.05 0.61 Q12 1 -0.5700 0.3690 -0.7225 11.00000 0.05 0.61 Q13 1 -0.6401 0.3971 -0.6932 11.00000 0.05 0.59 Q14 1 -0.8748 0.3497 -0.5544 11.00000 0.05 0.58 Q15 1 -0.6894 0.3514 -0.5511 11.00000 0.05 0.57 Q16 1 -0.7192 0.3706 -0.7408 11.00000 0.05 0.57 Q17 1 -0.8653 0.3035 -0.9386 11.00000 0.05 0.56 Q18 1 -0.8190 0.3517 -0.9427 11.00000 0.05 0.56 Q19 1 -0.6880 0.3320 -0.6962 11.00000 0.05 0.56 Q20 1 -1.3406 0.3605 -1.2769 11.00000 0.05 0.55 ; _shelx_res_checksum 73447 _shelx_hkl_file ; -1 0 0 30.4974 10.3679 4 1 0 0 9.93769 5.58477 1 1 0 0 11.3854 3.15979 2 -2 0 0 1484.87 91.1425 4 2 0 0 1488.43 86.9510 2 2 0 0 1438.15 87.8991 1 -3 0 0 6.92065 25.6511 4 3 0 0 2.16656 7.53341 2 3 0 0 1.72287 11.5065 1 -4 0 0 12.9167 24.3763 4 4 0 0 7.03252 11.8199 1 4 0 0 -8.7596 10.3149 2 -5 0 0 -16.330 43.2850 4 5 0 0 12.7735 11.6895 2 5 0 0 24.9566 14.4125 1 -6 0 0 951.156 88.2769 4 6 0 0 1020.56 65.3292 2 6 0 0 1016.98 67.3137 1 -7 0 0 164.606 59.5757 4 7 0 0 77.7903 19.9885 2 7 0 0 91.8842 26.6053 1 -8 0 0 1089.44 129.618 4 8 0 0 1470.19 93.2125 2 8 0 0 1530.51 101.865 1 -9 0 0 33.9590 53.3870 4 9 0 0 56.2522 34.9024 1 9 0 0 86.3376 23.5640 2 -10 0 0 12.2979 64.0068 4 10 0 0 51.3619 35.2312 1 10 0 0 15.8719 26.4135 2 -11 0 0 -11.498 60.5426 4 -11 1 0 -1.0938 65.8726 4 10 -1 0 137.561 46.6336 1 10 -1 0 140.738 30.1347 2 -10 1 0 73.5881 71.2987 4 9 -1 0 99.3995 39.9912 1 9 -1 0 146.518 28.6245 2 -9 1 0 95.0793 63.5431 4 -8 1 0 628.809 90.4665 4 7 -1 0 208.655 25.8679 2 7 -1 0 255.781 34.6974 1 -7 1 0 282.336 62.8876 4 6 -1 0 120.494 20.0214 1 6 -1 0 70.1332 15.8378 2 5 -1 0 67.0884 14.7791 2 5 -1 0 65.4097 18.3667 1 -5 1 0 52.5486 32.0188 4 4 -1 0 155.227 15.8453 2 4 -1 0 147.509 18.5265 1 -4 1 0 143.761 38.7782 4 3 -1 0 14.9475 10.9682 1 3 -1 0 8.12480 9.03913 2 -3 1 0 32.3638 23.8084 4 2 -1 0 309.504 20.4375 2 2 -1 0 277.886 22.7154 1 -2 1 0 319.021 29.7154 4 1 -1 0 56.6895 5.37131 2 1 -1 0 52.0271 7.42192 1 -1 1 0 66.4843 11.0905 3 -1 1 0 65.8377 10.5616 4 0 -1 0 -0.2978 0.23653 1 0 1 0 0.15448 0.44355 3 -1 -1 0 78.6707 14.0585 4 1 1 0 64.7916 6.99932 2 1 1 0 83.2251 9.30804 1 -2 -1 0 328.352 30.3818 4 2 1 0 338.105 22.4632 2 2 1 0 309.861 24.6948 1 -3 -1 0 7.50780 22.5970 4 3 1 0 14.5191 9.19355 2 3 1 0 11.0225 10.7711 1 -4 -1 0 210.331 42.2365 4 4 1 0 152.230 19.9911 1 4 1 0 154.201 17.3572 2 -5 -1 0 22.9582 32.0656 4 5 1 0 51.6415 15.9439 1 5 1 0 64.0511 13.1147 2 -6 -1 0 94.8835 44.1247 4 6 1 0 71.8235 16.8524 2 6 1 0 78.4867 22.1352 1 7 1 0 185.250 31.1617 1 7 1 0 233.184 26.9774 2 -8 -1 0 312.077 73.5461 4 8 1 0 348.294 41.1705 2 8 1 0 379.726 44.4302 1 -9 -1 0 95.9206 70.0038 4 9 1 0 109.211 27.3976 2 9 1 0 164.910 38.3556 1 10 1 0 144.361 42.4383 1 10 1 0 157.511 36.7430 2 -11 -1 0 17.6193 56.2848 4 -11 2 0 21.8791 67.3569 4 -10 2 0 15.0450 70.7868 4 9 -2 0 122.438 37.1968 1 9 -2 0 120.407 28.0660 2 -9 2 0 86.0339 80.7009 4 8 -2 0 128.815 29.4286 1 8 -2 0 94.8209 22.9855 2 -8 2 0 232.649 73.3450 4 7 -2 0 962.190 64.8310 2 7 -2 0 987.247 70.5104 1 -7 2 0 929.597 98.4193 4 6 -2 0 401.394 33.0268 2 6 -2 0 400.565 37.5824 1 -6 2 0 363.998 56.9615 4 5 -2 0 106.859 16.5797 2 5 -2 0 100.811 17.7735 1 -5 2 0 148.805 46.4371 4 4 -2 0 36.4437 12.6734 1 4 -2 0 38.4508 10.2545 2 -4 2 0 32.2258 27.7997 4 3 -2 0 206.306 16.3339 2 3 -2 0 193.141 19.0968 1 2 -2 0 822.721 50.4136 2 2 -2 0 804.617 52.7323 1 -2 2 0 827.241 57.7674 4 -2 2 0 878.626 56.8538 3 1 -2 0 3006.24 178.574 1 1 -2 0 2703.03 177.656 2 -1 2 0 3302.68 179.764 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94.1909 18.6115 2 6 3 0 122.059 20.4243 1 -7 -3 0 333.053 57.3175 4 7 3 0 182.071 29.7374 2 8 3 0 276.993 39.5546 1 8 3 0 256.605 32.4024 2 -9 -3 0 10.8615 58.5770 4 9 3 0 58.7404 34.6720 1 9 3 0 11.5299 23.6425 2 -10 -3 0 34.7064 58.4983 4 10 3 0 57.5495 25.7285 2 -11 -3 0 15.6773 62.1893 4 11 3 0 189.623 36.8362 2 -11 4 0 41.5586 70.1401 4 -10 4 0 -0.3608 56.7297 4 9 -4 0 -9.8530 19.8328 2 9 -4 0 41.3198 33.9414 1 -9 4 0 14.4056 60.2560 4 8 -4 0 417.408 40.5716 2 8 -4 0 524.110 52.3731 1 -8 4 0 343.348 76.0330 4 7 -4 0 626.908 53.8993 1 7 -4 0 675.414 49.2002 2 -7 4 0 616.187 66.8309 3 -7 4 0 652.006 87.4178 4 6 -4 0 79.1033 14.6971 2 6 -4 0 84.8231 22.7107 1 -6 4 0 213.186 51.4108 4 5 -4 0 285.517 29.3944 1 5 -4 0 260.068 24.3155 2 -5 4 0 290.960 47.0838 4 4 -4 0 14.5612 12.2460 1 4 -4 0 29.8360 10.5141 2 -4 4 0 19.1363 19.0158 3 -4 4 0 -9.2010 28.7377 4 3 -4 0 410.720 30.9064 1 3 -4 0 384.097 26.2877 2 -3 4 0 373.884 39.0279 3 -3 4 0 388.561 42.0347 4 2 -4 0 6.74717 5.80711 2 2 -4 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99.6308 32.8156 4 4 5 0 63.3970 13.7414 2 4 5 0 74.0536 16.1674 1 -5 -5 0 53.1858 34.2702 4 5 5 0 15.3428 12.3881 2 5 5 0 29.7633 14.7598 1 6 5 0 228.678 25.9430 2 6 5 0 261.803 30.9147 1 -7 -5 0 198.818 58.7747 4 7 5 0 184.913 25.8354 2 7 5 0 179.224 29.0194 1 -8 -5 0 196.124 62.6670 4 8 5 0 144.226 27.5335 2 8 5 0 156.827 31.2630 1 -9 -5 0 8.14808 49.2180 4 9 5 0 46.8413 23.6903 2 -10 -5 0 34.5940 72.4103 4 10 5 0 118.039 30.3632 2 -11 -5 0 -13.965 66.4840 4 11 5 0 55.4054 30.8662 2 -11 6 0 10.8640 75.2255 4 -10 6 0 -11.922 78.1567 4 9 -6 0 58.4567 33.1428 1 -9 6 0 43.8242 68.7842 4 8 -6 0 309.336 51.8618 1 8 -6 0 239.785 31.8424 2 -8 6 0 254.745 76.7087 4 7 -6 0 68.9341 18.6035 2 7 -6 0 96.4281 28.5470 1 -7 6 0 107.483 43.4346 4 6 -6 0 507.154 38.3934 2 6 -6 0 502.455 45.0762 1 -6 6 0 583.402 69.5988 4 5 -6 0 143.462 21.9709 1 5 -6 0 136.877 16.1704 2 -5 6 0 124.734 42.7719 4 -5 6 0 120.047 32.1499 3 4 -6 0 196.031 24.9647 1 4 -6 0 196.383 19.1173 2 -4 6 0 221.567 34.6768 3 -4 6 0 225.365 38.2513 4 3 -6 0 14.4539 14.1010 1 3 -6 0 6.20193 7.64750 2 -3 6 0 32.0187 30.7847 4 -3 6 0 -3.2516 24.1258 3 2 -6 0 189.526 14.4724 2 2 -6 0 208.596 19.6963 1 -2 6 0 149.658 24.6344 3 -2 6 0 168.187 30.2471 4 1 -6 0 1397.58 89.2188 1 -1 6 0 1634.77 93.3937 3 -1 6 0 1412.76 87.0188 2 0 -6 0 554.392 36.5281 1 0 6 0 548.841 34.3766 2 -1 -6 0 1533.38 95.3584 1 -1 -6 0 1647.64 97.1573 4 1 6 0 1556.84 94.2533 2 -2 -6 0 170.497 31.1151 4 2 6 0 237.619 19.0823 2 -3 -6 0 18.1386 25.1478 4 3 6 0 16.0158 11.8060 1 3 6 0 9.01259 11.0780 2 -4 -6 0 280.490 43.9877 4 4 6 0 178.349 22.5645 1 4 6 0 201.592 22.3113 2 -5 -6 0 163.354 43.8414 4 5 6 0 159.809 22.4002 1 5 6 0 158.161 20.7923 2 -6 -6 0 454.201 67.7431 4 6 6 0 480.821 38.3588 1 6 6 0 522.303 39.4773 2 -7 -6 0 128.285 52.1392 4 7 6 0 54.1066 19.9626 2 7 6 0 82.1486 23.2463 1 -8 -6 0 145.070 57.8156 4 8 6 0 258.885 34.2717 2 8 6 0 283.153 38.0276 1 -9 -6 0 53.5593 57.6530 4 9 6 0 40.5343 25.7666 1 9 6 0 31.5366 22.0308 2 -10 -6 0 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323.525 43.8326 4 -5 8 0 336.931 40.6792 3 4 -8 0 318.057 23.3518 2 4 -8 0 275.338 29.4384 1 -4 8 0 362.642 42.4907 4 -4 8 0 316.081 45.0888 3 3 -8 0 911.621 58.4066 1 3 -8 0 767.976 53.6173 2 -3 8 0 931.165 63.8855 4 -3 8 0 960.528 68.3458 3 2 -8 0 562.560 39.5079 2 2 -8 0 682.640 43.1260 1 -2 8 0 661.195 49.5563 3 1 -8 0 1325.86 81.2858 1 -1 8 0 1273.81 86.6177 3 -1 8 0 1364.97 78.7166 2 0 -8 0 1045.85 65.7271 1 0 8 0 974.009 62.9140 2 0 8 0 1109.86 72.7406 3 -1 -8 0 1519.01 95.3376 1 1 8 0 1530.77 93.7416 2 1 8 0 1637.33 99.3546 3 -2 -8 0 775.440 52.5610 1 -2 -8 0 844.123 60.0303 4 2 8 0 768.759 50.7700 2 -3 -8 0 1031.47 75.6814 4 3 8 0 958.682 65.3802 1 3 8 0 1068.06 65.0262 2 -4 -8 0 442.738 48.4976 4 4 8 0 388.636 31.3445 2 4 8 0 333.116 31.8899 1 5 8 0 279.987 28.1191 2 5 8 0 290.753 28.8811 1 6 8 0 843.870 60.4314 2 6 8 0 895.340 61.5158 1 -7 -8 0 312.420 64.6206 4 7 8 0 280.471 32.5058 2 7 8 0 325.741 37.3917 1 -8 -8 0 165.478 63.1151 4 8 8 0 187.878 32.4142 1 8 8 0 119.688 25.1137 2 -9 -8 0 33.8986 65.8507 4 9 8 0 56.5060 24.5446 2 -10 -8 0 19.6363 81.1778 4 10 8 0 29.5105 25.0047 2 -11 -8 0 -39.474 76.8343 4 11 8 0 19.6738 27.5831 2 -11 9 0 2.89938 57.6164 4 -10 9 0 47.2198 66.8624 4 9 -9 0 121.147 43.4708 1 -9 9 0 114.098 66.8571 4 8 -9 0 302.638 57.9793 1 -8 9 0 125.473 53.1879 4 7 -9 0 64.8416 29.1100 1 7 -9 0 32.9915 14.5869 2 -7 9 0 88.8224 54.8337 4 -7 9 0 153.639 51.6321 3 6 -9 0 197.664 32.5297 1 6 -9 0 146.706 19.3519 2 -6 9 0 299.011 58.6684 4 5 -9 0 340.928 32.4822 1 5 -9 0 339.661 26.1056 2 -5 9 0 255.813 43.6797 3 -5 9 0 290.624 50.4224 4 4 -9 0 85.7324 11.9394 2 4 -9 0 95.7844 18.7564 1 -4 9 0 170.537 38.8979 3 -4 9 0 175.717 35.4763 4 3 -9 0 387.033 23.9190 2 3 -9 0 382.903 29.6675 1 -3 9 0 283.973 45.3994 3 -3 9 0 263.222 35.6777 4 2 -9 0 2188.69 133.162 2 2 -9 0 2248.91 135.644 1 -2 9 0 2349.65 141.387 3 1 -9 0 142.361 17.6886 1 -1 9 0 113.047 12.6521 2 -1 9 0 71.1237 21.5145 3 0 -9 0 9.77711 12.4625 1 0 9 0 -0.9566 8.73547 2 0 9 0 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569.074 41.4408 2 -5 -12 0 77.3012 41.4528 4 5 12 0 35.6695 15.3502 2 -6 -12 0 317.704 70.4664 4 6 12 0 214.698 31.8208 1 6 12 0 239.914 27.4909 2 -7 -12 0 63.7640 54.9728 4 7 12 0 34.7252 19.5050 2 7 12 0 36.5549 22.6611 1 -8 -12 0 141.017 79.0807 4 8 12 0 115.275 26.5402 2 -9 -12 0 100.144 85.1464 4 9 12 0 129.936 28.9496 2 9 12 0 142.732 41.2643 1 -10 -12 0 87.2641 99.2531 4 10 12 0 86.1109 31.2677 2 10 12 0 83.9890 39.9803 1 11 12 0 41.7933 29.7062 2 -10 13 0 46.1880 68.3742 4 -9 13 0 18.6436 82.3340 4 8 -13 0 44.0303 49.6153 1 -8 13 0 50.1586 60.6120 4 -8 13 0 96.1121 66.6262 3 7 -13 0 321.281 47.0815 1 -7 13 0 159.318 60.1440 3 -7 13 0 209.791 55.6454 4 6 -13 0 169.475 33.1295 1 -6 13 0 176.503 47.4761 3 -6 13 0 113.666 36.5986 4 5 -13 0 183.439 25.9131 1 5 -13 0 141.496 15.3632 2 -5 13 0 151.993 42.3345 3 -5 13 0 132.122 37.1959 4 4 -13 0 512.306 34.1897 2 4 -13 0 547.855 41.0113 1 -4 13 0 468.290 48.3916 4 -4 13 0 534.302 62.9047 3 3 -13 0 89.0074 11.4515 2 3 -13 0 156.441 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54.2730 18.9231 1 4 14 0 68.8361 18.8248 2 -5 -14 0 220.727 33.2801 1 -5 -14 0 217.660 54.8025 4 5 14 0 233.005 27.3412 2 -6 -14 0 221.408 30.7160 1 -6 -14 0 151.863 53.5012 4 6 14 0 262.844 29.5664 2 -7 -14 0 310.434 80.9075 4 7 14 0 430.660 40.0643 2 -8 -14 0 21.1398 66.1059 4 8 14 0 93.2958 25.8523 2 8 14 0 97.1943 30.2316 1 -9 -14 0 40.1775 68.9164 4 9 14 0 22.6680 25.6284 2 -10 -14 0 47.7103 107.829 4 10 14 0 105.839 32.5291 2 10 -15 0 105.532 54.0101 1 -10 15 0 5.27658 68.3154 4 9 -15 0 24.2719 41.8372 1 -9 15 0 90.0556 66.9176 4 8 -15 0 35.3311 31.8364 1 -8 15 0 13.0257 64.1239 3 -8 15 0 22.8316 53.3815 4 7 -15 0 95.8854 32.8789 1 -7 15 0 96.6058 52.8193 4 -7 15 0 191.968 56.9835 3 6 -15 0 271.533 39.6384 1 -6 15 0 164.471 45.6853 4 -6 15 0 175.287 45.4278 3 5 -15 0 9.74892 9.88502 2 5 -15 0 16.1823 20.6166 1 -5 15 0 60.7873 39.0783 3 -5 15 0 13.5147 30.7181 4 4 -15 0 120.003 14.5846 2 4 -15 0 157.215 24.0195 1 -4 15 0 134.489 33.6368 4 -4 15 0 134.080 44.7835 3 3 -15 0 9.88946 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136.300 20.7167 2 -4 -16 0 76.4321 41.3326 4 -4 -16 0 107.082 24.3478 1 4 16 0 83.4866 18.4325 2 -5 -16 0 112.055 47.4148 4 -5 -16 0 113.114 26.6242 1 5 16 0 146.771 23.9996 2 -6 -16 0 56.8618 24.0761 1 -6 -16 0 50.7273 46.4536 4 6 16 0 60.1860 22.9543 2 -7 -16 0 91.0630 63.5552 4 -7 -16 0 128.944 29.2057 1 7 16 0 97.3647 26.4599 2 -8 -16 0 33.7159 69.0710 4 -8 -16 0 82.8936 33.2041 1 8 16 0 23.3044 26.4017 2 -9 -16 0 68.0193 99.7822 4 9 16 0 158.195 33.4261 2 -10 -16 0 26.0331 85.3959 4 10 16 0 19.2570 28.8796 2 -9 17 0 75.7870 63.7517 4 8 -17 0 16.4537 33.6782 1 -8 17 0 70.6596 64.9807 3 -8 17 0 81.0539 57.0466 4 7 -17 0 27.1530 29.3197 1 -7 17 0 15.8393 51.8660 4 -7 17 0 42.6304 50.1827 3 6 -17 0 26.1632 25.7021 1 -6 17 0 69.2839 40.4235 4 -6 17 0 7.29291 38.6827 3 5 -17 0 96.9225 22.8881 1 -5 17 0 60.2053 33.1693 4 -5 17 0 85.1959 45.1865 3 4 -17 0 2.57841 8.65293 2 4 -17 0 1.48373 17.6569 1 -4 17 0 -7.4062 37.6179 3 3 -17 0 0.94965 15.5539 1 3 -17 0 4.70021 8.31411 2 -3 17 0 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46.0843 1 -9 18 0 62.7619 63.5002 3 8 -18 0 203.315 51.1498 1 -8 18 0 30.3313 61.8722 3 7 -18 0 22.2320 28.2360 1 -7 18 0 14.8624 46.3512 3 -7 18 0 11.6383 48.5948 4 -6 18 0 273.389 51.0674 3 -6 18 0 197.305 45.5320 4 5 -18 0 278.786 35.6370 1 -5 18 0 138.779 40.6024 4 -5 18 0 156.411 50.0070 3 4 -18 0 94.5154 24.2262 1 4 -18 0 75.4257 14.3226 2 -4 18 0 128.400 48.1924 3 3 -18 0 150.144 17.3195 2 3 -18 0 188.645 25.6346 1 -3 18 0 164.999 46.5599 3 2 -18 0 740.826 53.2062 1 -2 18 0 667.990 74.4227 3 -2 18 0 725.601 46.3837 2 1 -18 0 33.3683 17.2457 1 -1 18 0 14.2859 26.1952 3 -1 18 0 38.8385 11.1004 2 0 -18 0 1251.30 80.6959 1 0 18 0 1085.35 91.3869 3 0 18 0 1294.11 76.0021 2 -1 -18 0 33.9453 18.3589 1 1 18 0 18.5825 31.5631 3 1 18 0 39.1422 13.8404 2 -2 -18 0 826.553 61.7370 1 2 18 0 899.439 58.5012 2 -3 -18 0 222.169 32.9926 1 -3 -18 0 229.391 45.4863 4 3 18 0 189.456 25.7951 2 -4 -18 0 136.087 27.8426 1 -4 -18 0 127.555 47.4504 4 4 18 0 127.700 22.7871 2 -5 -18 0 250.296 32.9080 1 -5 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0.68252 11.3534 1 -6 -1 3 -5.7366 32.3885 4 5 1 -3 103.109 14.3136 2 -5 -1 3 70.2206 31.1127 4 -5 -1 3 77.4264 21.3742 3 -4 -1 3 697.833 55.7780 4 -4 -1 3 525.522 45.0845 3 -3 -1 3 157.922 23.5820 3 -3 -1 3 184.593 27.1903 4 2 1 -3 206.816 19.1314 2 -2 -1 3 235.878 31.1607 4 -2 -1 3 254.880 27.3041 3 1 1 -3 1700.23 102.004 2 -1 -1 3 1744.89 108.507 3 -1 -1 3 1716.34 108.634 4 0 -1 3 4984.08 293.658 1 0 -1 3 5110.77 299.792 4 0 -1 3 5059.65 292.479 2 0 -1 3 4928.60 297.708 3 -1 1 -3 222.140 29.0089 3 1 -1 3 242.989 18.3929 2 1 -1 3 229.188 22.9830 1 1 -1 3 201.102 30.5090 4 2 -1 3 146.672 15.4647 2 2 -1 3 145.243 20.0186 1 2 -1 3 187.647 33.0058 4 -3 1 -3 290.905 53.6986 4 3 -1 3 184.386 18.4386 2 3 -1 3 188.855 23.3839 1 4 -1 3 314.086 35.1744 1 4 -1 3 296.154 26.4684 2 -5 1 -3 58.4537 36.4605 4 5 -1 3 108.619 28.2896 1 5 -1 3 77.7762 16.4764 2 -6 1 -3 84.0018 53.7718 4 6 -1 3 117.234 34.2010 1 6 -1 3 104.163 21.0156 2 -7 1 -3 15.7497 58.7047 4 7 -1 3 34.9938 20.3251 2 -8 1 -3 74.0943 72.4592 4 -9 1 -3 29.4103 61.5147 4 9 -1 3 94.8469 45.0805 1 -10 1 -3 -22.746 75.4809 4 12 0 -3 128.993 33.9080 2 -12 0 3 -0.0869 70.4914 4 11 0 -3 -16.265 22.5359 2 -11 0 3 21.9837 60.6407 4 10 0 -3 428.941 46.4010 2 9 0 -3 44.1336 18.7526 2 -9 0 3 44.1990 50.7565 4 8 0 -3 0.89433 15.4076 2 8 0 -3 -4.0116 16.5372 1 -8 0 3 -29.946 38.3757 4 7 0 -3 -1.9708 12.5284 1 7 0 -3 9.51970 12.6967 2 -7 0 3 -47.857 35.4181 4 6 0 -3 54.7896 14.8544 2 -6 0 3 107.926 38.9166 4 -6 0 3 79.0366 26.1450 3 5 0 -3 2.33685 9.55628 2 -5 0 3 -5.0712 27.6141 4 -5 0 3 -5.7531 18.4171 3 4 0 -3 9999.99 567.840 2 -4 0 3 9460.59 571.791 3 -4 0 3 9768.66 575.165 4 3 0 -3 3.48653 8.50150 2 -3 0 3 8.73065 14.0788 4 -3 0 3 10.1240 14.5615 3 2 0 -3 1542.03 90.5181 2 -2 0 3 1508.34 96.9798 4 -2 0 3 1476.19 96.5271 3 1 0 -3 26.7383 8.73088 2 -1 0 3 69.2752 19.8380 4 -1 0 3 37.5283 15.4827 3 0 0 3 132.858 24.1394 4 0 0 3 75.8841 15.9668 1 0 0 3 71.7270 11.2320 2 0 0 3 98.2468 20.3796 3 1 0 3 22.7762 8.94328 2 1 0 3 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2 3 205.610 23.4536 2 -5 -2 -3 438.326 79.4767 4 5 2 3 494.467 42.1384 1 5 2 3 448.572 38.4789 2 -6 -2 -3 51.5057 56.0050 4 6 2 3 65.4652 28.9854 1 6 2 3 108.693 23.7308 2 -7 -2 -3 88.8371 67.6774 4 7 2 3 91.8465 26.2184 2 7 2 3 62.0559 31.3655 1 -8 -2 -3 34.9558 65.4166 4 8 2 3 107.758 32.2982 2 8 2 3 134.137 43.1705 1 -9 -2 -3 -53.786 72.6625 4 -10 -2 -3 -11.732 98.3258 4 12 -3 -3 19.3660 28.2635 2 -12 3 3 -48.957 66.6459 4 11 -3 -3 93.8921 30.7178 2 -11 3 3 45.7963 60.8556 4 10 -3 -3 132.072 26.2573 2 -10 3 3 90.0542 60.4030 4 9 -3 -3 115.093 24.5455 2 9 -3 -3 143.674 27.5894 1 -9 3 3 31.5739 50.5156 4 8 -3 -3 14.9160 14.4874 2 8 -3 -3 11.5524 19.6639 1 -8 3 3 -2.2745 36.5554 4 7 -3 -3 -5.3166 14.1524 2 7 -3 -3 -8.7079 12.8633 1 -7 3 3 -12.714 29.2818 3 -7 3 3 31.5036 39.0959 4 6 -3 -3 8.88962 11.5773 2 -6 3 3 25.0610 32.5333 4 -6 3 3 24.7964 26.9028 3 -5 3 3 292.846 45.0899 4 -5 3 3 236.448 37.4496 3 4 -3 -3 91.2025 13.3104 2 -4 3 3 75.9422 24.8721 3 -4 3 3 80.6422 27.6707 4 -3 3 3 506.647 42.8656 4 -3 3 3 505.379 45.8047 3 2 -3 -3 29.2061 11.1478 2 -2 3 3 22.1025 17.9776 3 -1 3 3 242.467 30.2411 3 -1 3 3 242.136 21.2434 2 -1 3 3 268.010 25.5071 4 0 3 3 2623.21 156.001 3 0 3 3 2550.28 155.140 4 0 3 3 2427.32 151.242 1 0 3 3 2603.54 150.754 2 1 3 3 166.444 21.5858 1 1 3 3 170.813 16.6112 2 1 3 3 146.234 29.3859 4 -2 -3 -3 238.670 39.9423 4 2 3 3 188.040 25.3831 1 2 3 3 180.728 21.1169 2 -3 -3 -3 463.723 64.3760 4 3 3 3 424.663 37.1857 1 3 3 3 418.249 33.0660 2 4 3 3 283.205 26.5637 2 4 3 3 222.786 30.8399 1 -5 -3 -3 83.3067 44.5964 4 5 3 3 204.696 25.2826 2 5 3 3 217.089 35.5165 1 -6 -3 -3 131.456 57.7085 4 6 3 3 116.407 26.1509 2 6 3 3 80.3488 34.6205 1 -7 -3 -3 59.6479 67.7740 4 7 3 3 181.666 32.3261 2 7 3 3 117.126 43.0080 1 -8 -3 -3 44.5557 64.2971 4 8 3 3 221.490 39.4195 2 8 3 3 132.418 41.5956 1 -9 -3 -3 33.4227 79.8781 4 -10 -3 -3 -49.427 88.0917 4 12 -4 -3 26.1611 27.2568 2 -12 4 3 -8.6368 64.5117 4 11 -4 -3 127.519 34.1321 2 -11 4 3 94.2730 62.5613 4 10 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36.4678 1 4 4 3 201.893 31.7766 1 4 4 3 197.457 22.4623 2 -6 -4 -3 81.5383 57.0858 4 6 4 3 95.9495 23.8005 2 6 4 3 95.2865 34.9653 1 -7 -4 -3 55.0184 71.2827 4 7 4 3 47.7604 25.9247 2 7 4 3 51.8994 30.5867 1 -8 -4 -3 132.142 95.9574 4 8 4 3 72.2115 29.7368 2 8 4 3 93.0146 34.2475 1 -9 -4 -3 -17.423 81.9409 4 9 4 3 184.244 46.8347 1 -10 -4 -3 17.2166 112.966 4 -12 5 3 -22.934 61.4463 4 11 -5 -3 6.82058 24.1297 2 -11 5 3 12.2719 58.2407 4 10 -5 -3 31.5059 22.0134 2 -10 5 3 98.7473 55.0912 4 9 -5 -3 43.1850 20.9095 2 -9 5 3 19.8262 52.9644 4 8 -5 -3 85.2130 19.9212 2 8 -5 -3 106.403 25.2536 1 -8 5 3 62.4277 40.0273 3 -8 5 3 46.9928 48.5084 4 7 -5 -3 5.00732 12.9792 1 7 -5 -3 6.63263 12.0515 2 -7 5 3 14.6104 41.5158 4 -7 5 3 12.1278 29.4253 3 -6 5 3 179.922 40.0227 3 -6 5 3 192.118 44.5717 4 -5 5 3 149.895 38.5613 4 -5 5 3 109.534 33.6813 3 4 -5 -3 134.691 17.4065 2 -4 5 3 181.599 28.0418 4 3 -5 -3 395.614 29.7123 2 2 -5 -3 218.661 19.8578 1 2 -5 -3 246.572 20.9167 2 -2 5 3 234.029 36.2453 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52.5495 4 7 -6 -3 33.7077 14.5757 2 7 -6 -3 10.0229 13.9477 1 -7 6 3 18.0367 38.8809 4 -7 6 3 4.47602 36.5209 3 6 -6 -3 1631.66 100.133 1 6 -6 -3 1686.38 99.5026 2 -6 6 3 1607.72 120.163 4 -6 6 3 1425.78 115.485 3 5 -6 -3 197.027 22.1317 1 5 -6 -3 228.303 22.5170 2 -5 6 3 284.270 42.7173 3 -5 6 3 329.256 46.3200 4 4 -6 -3 510.183 36.9776 1 4 -6 -3 530.533 37.0093 2 -4 6 3 544.241 50.8488 3 3 -6 -3 13.9878 10.3092 2 -3 6 3 7.99840 23.1318 3 2 -6 -3 564.122 36.7296 2 2 -6 -3 537.775 36.9921 1 -2 6 3 514.171 48.5817 3 1 -6 -3 -1.3588 11.1998 1 -1 6 3 13.8697 10.6723 2 -1 6 3 -0.6850 19.9993 3 0 -6 -3 561.721 40.2814 1 0 6 3 583.650 39.4261 2 0 6 3 603.364 48.3526 3 1 6 3 146.058 21.5534 1 1 6 3 163.876 17.9407 2 -2 -6 -3 2053.85 143.717 4 2 6 3 2118.55 126.895 2 2 6 3 2086.74 128.990 1 -3 -6 -3 752.386 72.9226 4 3 6 3 716.483 53.6887 1 3 6 3 723.972 50.2693 2 -4 -6 -3 783.519 79.3312 4 4 6 3 623.907 50.6367 1 4 6 3 575.104 47.3072 2 -5 -6 -3 82.1594 46.5902 4 5 6 3 84.7240 21.2717 2 5 6 3 93.4073 27.2876 1 6 6 3 56.1524 23.5704 2 6 6 3 88.0360 31.0762 1 -7 -6 -3 88.9027 77.1587 4 7 6 3 40.5477 26.0912 2 -8 -6 -3 41.0152 74.0827 4 8 6 3 152.478 39.8162 1 8 6 3 195.601 35.9234 2 -9 -6 -3 -26.595 89.6474 4 9 6 3 86.7009 33.9649 2 -10 -6 -3 90.0447 88.3390 4 10 6 3 61.3356 38.8438 1 11 -7 -3 32.1409 28.6208 2 -11 7 3 -10.508 49.0603 4 10 -7 -3 50.6202 23.5056 2 -10 7 3 2.16446 60.9906 4 9 -7 -3 91.9048 29.7282 1 9 -7 -3 105.699 22.1421 2 -9 7 3 39.4006 55.4025 4 8 -7 -3 69.5487 26.8080 1 8 -7 -3 93.2493 18.8881 2 -8 7 3 63.3617 45.1977 3 -8 7 3 23.6337 49.4802 4 7 -7 -3 8.02755 17.4077 1 7 -7 -3 21.4498 12.9741 2 -7 7 3 71.1804 36.7807 4 -7 7 3 77.7423 39.0255 3 6 -7 -3 115.265 19.2435 1 6 -7 -3 107.985 16.6736 2 5 -7 -3 993.365 66.6491 2 5 -7 -3 1031.34 68.1994 1 -5 7 3 1003.22 79.2928 4 -5 7 3 1148.13 85.7223 3 4 -7 -3 225.571 21.1276 1 4 -7 -3 231.039 20.9477 2 3 -7 -3 197.468 18.2579 2 3 -7 -3 165.876 19.2860 1 -3 7 3 173.397 32.4077 3 2 -7 -3 153.428 19.0318 1 -2 7 3 194.250 18.8947 2 -2 7 3 202.835 29.5748 3 1 -7 -3 -0.5082 11.5707 1 -1 7 3 -14.336 10.6582 2 -1 7 3 8.95222 22.0805 3 0 -7 -3 42.1335 14.7559 1 0 7 3 50.5521 12.5600 2 0 7 3 31.5364 22.5106 3 1 7 3 689.898 46.9244 2 1 7 3 722.625 50.5201 1 2 7 3 208.275 27.5978 1 2 7 3 212.005 22.8486 2 -3 -7 -3 451.765 51.4639 4 3 7 3 384.393 32.7801 2 3 7 3 368.632 37.0080 1 -4 -7 -3 574.543 76.9451 4 4 7 3 654.573 49.5334 1 4 7 3 622.073 46.6954 2 -5 -7 -3 366.843 76.8468 4 5 7 3 160.270 25.9823 2 5 7 3 131.740 31.8021 1 -6 -7 -3 151.449 59.1073 4 6 7 3 322.159 45.4703 1 6 7 3 266.219 33.6307 2 -7 -7 -3 77.8622 69.7590 4 7 7 3 43.1393 26.1910 2 7 7 3 56.2021 31.1299 1 -8 -7 -3 42.3713 95.5618 4 8 7 3 63.3922 29.4200 2 8 7 3 59.7334 32.2794 1 -9 -7 -3 -21.428 97.7070 4 9 7 3 48.1573 33.4715 1 9 7 3 25.4556 33.7491 2 -11 8 3 -0.9724 47.3399 4 10 -8 -3 35.4017 33.4567 1 10 -8 -3 26.0192 21.8267 2 -10 8 3 40.1687 60.7828 4 9 -8 -3 114.564 37.7597 1 9 -8 -3 114.351 22.6986 2 -9 8 3 69.6236 51.4477 4 -9 8 3 164.604 63.6432 3 8 -8 -3 26.2029 16.1228 2 8 -8 -3 43.1523 24.2468 1 -8 8 3 126.835 51.9413 3 -8 8 3 31.7718 36.8162 4 7 -8 -3 697.278 53.3039 1 7 -8 -3 701.563 50.9992 2 -7 8 3 776.089 81.5336 3 -7 8 3 648.414 71.3510 4 6 -8 -3 483.878 35.0008 2 6 -8 -3 481.753 37.0766 1 -6 8 3 450.751 57.8256 3 -6 8 3 446.288 52.2319 4 5 -8 -3 1570.04 94.0052 2 5 -8 -3 1557.99 95.0365 1 -5 8 3 1434.90 109.324 3 4 -8 -3 450.461 35.4336 1 4 -8 -3 466.879 34.7472 2 -4 8 3 544.500 52.7444 3 3 -8 -3 1724.34 100.545 2 3 -8 -3 1641.24 100.840 1 -3 8 3 1590.33 109.642 3 2 -8 -3 4.07063 12.0468 1 -2 8 3 28.6797 23.6966 3 -2 8 3 5.30876 10.6777 2 1 -8 -3 204.657 22.0570 1 -1 8 3 267.333 22.9053 2 -1 8 3 287.642 36.4779 3 0 -8 -3 386.591 32.5134 1 0 8 3 473.400 42.1945 3 0 8 3 388.263 31.5752 2 -1 -8 -3 1207.51 80.2948 1 1 8 3 1326.54 79.2891 2 -2 -8 -3 1790.02 119.776 4 2 8 3 1695.70 106.347 2 2 8 3 1685.43 108.386 1 -3 -8 -3 347.592 59.1780 4 3 8 3 394.498 32.4962 2 3 8 3 425.842 37.2937 1 -4 -8 -3 319.091 59.8306 4 4 8 3 243.395 27.9487 2 -5 -8 -3 303.154 71.9884 4 5 8 3 249.551 31.2658 2 5 8 3 332.908 46.0577 1 -6 -8 -3 104.493 84.3083 4 6 8 3 65.2789 25.0200 2 6 8 3 49.7216 28.2838 1 -7 -8 -3 112.104 82.8830 4 7 8 3 46.7920 28.9688 1 7 8 3 46.8433 27.5320 2 -8 -8 -3 53.3483 73.7628 4 8 8 3 60.8140 30.9621 2 8 8 3 103.423 40.0908 1 -9 -8 -3 37.1852 90.3291 4 9 8 3 35.0066 35.1870 2 -11 9 3 46.9575 62.5357 4 10 -9 -3 21.7365 19.3692 2 -10 9 3 28.3894 55.7596 4 9 -9 -3 205.459 45.8870 1 9 -9 -3 176.022 27.8806 2 -9 9 3 174.953 64.3514 3 8 -9 -3 -6.0280 14.8727 2 8 -9 -3 17.1460 21.8706 1 -8 9 3 16.9504 46.4018 3 -8 9 3 14.9216 40.4057 4 7 -9 -3 47.4978 18.6472 1 7 -9 -3 87.4633 16.7804 2 -7 9 3 23.2796 35.8509 4 -7 9 3 19.9157 46.0840 3 6 -9 -3 169.828 25.8240 1 6 -9 -3 149.184 19.7351 2 -6 9 3 132.483 39.0448 4 -6 9 3 216.647 46.8014 3 5 -9 -3 213.216 21.1224 1 5 -9 -3 219.013 21.1744 2 4 -9 -3 654.152 43.3684 2 4 -9 -3 661.970 45.0650 1 -4 9 3 608.192 62.2623 3 3 -9 -3 210.854 21.7532 2 3 -9 -3 220.443 24.4437 1 2 -9 -3 159.021 21.5130 1 -2 9 3 194.132 19.7089 2 -2 9 3 204.502 33.8818 3 1 -9 -3 8.40578 11.9475 1 -1 9 3 8.06197 9.96538 2 -1 9 3 10.1924 22.4697 3 0 -9 -3 514.878 38.3515 1 0 9 3 527.932 45.9364 3 0 9 3 496.889 36.0699 2 -1 -9 -3 320.275 29.5223 1 1 9 3 342.726 28.5998 2 -2 -9 -3 448.829 51.1221 4 2 9 3 387.173 33.0516 2 2 9 3 357.417 37.1399 1 3 9 3 69.2178 16.5990 2 3 9 3 68.1095 22.9495 1 -4 -9 -3 256.030 59.0223 4 4 9 3 95.2908 26.2964 1 4 9 3 77.7839 17.9588 2 -5 -9 -3 118.731 56.5923 4 5 9 3 157.575 38.3543 1 5 9 3 142.829 26.1883 2 -6 -9 -3 94.4229 71.2921 4 6 9 3 117.816 28.4124 2 6 9 3 95.9864 35.3151 1 -7 -9 -3 161.058 93.4480 4 7 9 3 147.719 33.6655 2 7 9 3 172.227 40.8163 1 -8 -9 -3 16.5192 108.333 4 8 9 3 66.9265 31.7681 2 8 9 3 97.6311 42.4109 1 -9 -9 -3 70.8274 107.860 4 9 9 3 79.3471 38.1082 2 10 9 3 50.3006 38.0999 2 -11 10 3 16.4342 59.2962 4 10 -10 -3 89.3669 23.5066 2 -10 10 3 -17.123 50.4595 4 9 -10 -3 70.6431 35.8290 1 9 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493.505 79.2497 4 4 -5 4 684.095 54.4632 1 -5 5 -4 160.188 46.6474 4 5 -5 4 287.615 42.5249 1 -6 5 -4 49.7273 45.0005 4 6 -5 4 113.659 38.2792 1 -7 5 -4 45.6454 52.8093 4 7 -5 4 190.675 50.3900 1 -8 5 -4 22.3751 64.3780 4 8 -5 4 81.4853 48.2866 1 -9 5 -4 -0.9846 58.8429 4 12 4 -4 24.9481 29.9374 2 -12 -4 4 -27.637 64.5042 4 11 4 -4 133.222 31.7765 2 -11 -4 4 44.1513 62.2816 4 10 4 -4 60.9723 24.8812 2 -10 -4 4 6.75621 53.5649 4 9 4 -4 213.163 29.1776 2 -9 -4 4 112.049 52.5752 4 8 4 -4 36.6609 15.0235 2 -8 -4 4 14.8843 44.7284 4 7 4 -4 0.99484 11.4619 2 -7 -4 4 -4.9765 18.7369 3 -7 -4 4 -4.5120 35.2768 4 6 4 -4 -1.8040 8.85591 2 -6 -4 4 6.02439 29.4240 4 -6 -4 4 13.6080 16.4996 3 -5 -4 4 405.274 48.8863 4 -5 -4 4 408.245 39.9643 3 4 4 -4 164.409 19.4437 2 -4 -4 4 194.631 31.5659 4 -4 -4 4 176.452 29.6873 3 3 4 -4 2566.92 163.258 2 -3 -4 4 2869.11 171.032 3 -3 -4 4 2839.00 173.586 4 2 4 -4 32.1600 9.49955 2 -2 -4 4 41.3543 24.9219 4 -2 -4 4 31.7416 16.1904 3 1 4 -4 588.095 35.8622 2 -1 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24.0385 10.7280 2 -6 -3 4 51.6015 32.8618 4 -6 -3 4 45.2142 20.7595 3 5 3 -4 912.262 55.7511 2 -5 -3 4 800.939 63.3278 3 -5 -3 4 824.538 71.8099 4 4 3 -4 17.7518 9.20216 2 -4 -3 4 8.84058 15.8014 3 -4 -3 4 30.8996 23.4563 4 3 3 -4 2480.58 139.368 2 -3 -3 4 2237.68 146.759 3 -3 -3 4 2299.24 150.035 4 2 3 -4 49.9585 8.70282 2 -2 -3 4 47.5344 18.1095 3 -2 -3 4 40.2260 24.6504 4 1 3 -4 409.466 29.6329 2 -1 -3 4 475.559 40.8022 3 -1 -3 4 464.956 42.0448 4 0 3 -4 207.334 34.6842 3 0 3 -4 141.624 14.7948 2 0 -3 4 256.641 39.5625 4 0 -3 4 140.923 19.3834 1 -1 3 -4 4.93269 40.5017 3 1 -3 4 -1.8042 13.9912 1 1 -3 4 15.7193 8.64630 2 1 -3 4 59.1542 30.7215 4 -2 3 -4 335.578 55.7389 3 2 -3 4 237.540 28.3619 1 2 -3 4 290.426 42.3303 4 2 -3 4 275.263 22.3112 2 3 -3 4 462.368 33.2660 2 3 -3 4 444.737 37.3021 1 -4 3 -4 196.162 46.3932 4 4 -3 4 109.829 28.4044 1 4 -3 4 63.9906 14.0695 2 -5 3 -4 23.2721 42.6356 4 5 -3 4 46.8657 26.5484 1 5 -3 4 68.3838 16.5461 2 -6 3 -4 -1.6137 37.6419 4 6 -3 4 28.6013 33.5665 1 -7 3 -4 25.8422 56.0954 4 7 -3 4 159.879 46.1850 1 -8 3 -4 36.5813 67.3252 4 8 -3 4 59.2032 45.4980 1 -9 3 -4 43.5092 79.9565 4 12 2 -4 24.9274 28.3410 2 -12 -2 4 -67.527 64.4307 4 11 2 -4 454.651 53.4683 2 10 2 -4 327.359 38.8361 2 -10 -2 4 96.0782 60.3814 4 9 2 -4 72.0385 20.8832 2 -9 -2 4 75.3422 46.8692 4 8 2 -4 -18.496 12.7508 2 -8 -2 4 24.8144 26.5400 3 -8 -2 4 -13.221 38.3409 4 7 2 -4 27.5829 12.0396 1 7 2 -4 20.6264 11.7943 2 -7 -2 4 14.7642 21.1940 3 -7 -2 4 0.54925 36.2321 4 6 2 -4 20.2415 10.7858 2 -6 -2 4 6.41164 29.3299 4 -6 -2 4 1.61307 17.2461 3 -5 -2 4 575.801 49.5027 3 -5 -2 4 603.808 56.4757 4 4 2 -4 1515.36 98.1408 2 -4 -2 4 1682.69 105.315 3 -4 -2 4 1626.12 106.736 4 3 2 -4 3109.32 183.558 2 -3 -2 4 3076.35 189.513 3 2 2 -4 177.254 17.0828 2 -2 -2 4 205.031 31.0933 3 -2 -2 4 225.936 33.5766 4 1 2 -4 27.2743 7.89149 2 -1 -2 4 88.4672 25.8075 4 -1 -2 4 59.6438 17.7338 3 0 -2 4 426.583 28.2852 2 0 -2 4 365.818 45.6235 4 0 -2 4 386.533 29.7763 1 -1 2 -4 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51.9617 4 -9 1 -4 50.7310 82.4998 4 12 0 -4 28.8995 29.9596 2 -12 0 4 19.3410 66.2551 4 11 0 -4 96.2317 28.0624 2 -11 0 4 33.0342 62.4608 4 10 0 -4 720.832 61.9125 2 9 0 -4 -2.6276 16.7294 2 -9 0 4 -3.4559 45.4843 4 8 0 -4 119.133 20.3825 2 8 0 -4 111.413 24.1945 1 -8 0 4 54.4311 34.3405 3 -8 0 4 64.2678 43.2323 4 7 0 -4 12.4196 14.3485 2 -7 0 4 -6.7807 34.0928 4 -7 0 4 1.10983 25.2497 3 6 0 -4 136.689 18.8338 2 -6 0 4 180.840 32.7874 3 -6 0 4 212.818 43.5388 4 5 0 -4 -2.7841 9.19238 2 -5 0 4 -3.0313 29.6432 4 -5 0 4 -15.106 17.7142 3 4 0 -4 8178.20 496.804 2 -4 0 4 8523.47 503.007 3 -4 0 4 8817.78 505.702 4 3 0 -4 69.4708 12.5276 2 -3 0 4 114.520 28.4985 4 -3 0 4 75.9343 20.1075 3 2 0 -4 2117.99 129.280 2 -2 0 4 2224.01 136.745 3 -2 0 4 2182.73 136.930 4 1 0 -4 16.6017 9.22175 2 -1 0 4 11.7510 17.1889 3 -1 0 4 11.2731 18.6719 4 0 0 4 2251.27 145.311 3 0 0 4 2355.38 138.428 1 0 0 4 2425.45 137.356 2 0 0 4 2209.34 147.257 4 1 0 4 49.3787 17.4765 1 1 0 4 73.3898 27.2638 4 1 0 4 44.1257 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267.086 36.0714 2 -9 -4 9 118.543 61.2167 4 -9 -4 9 133.815 45.8951 3 8 4 -9 16.4724 15.3149 2 -8 -4 9 45.8385 37.9201 3 -8 -4 9 60.2358 48.5423 4 -7 -4 9 113.477 40.3187 3 -7 -4 9 115.073 44.2469 4 6 4 -9 234.316 26.9070 2 -6 -4 9 134.659 49.6542 4 -6 -4 9 152.895 44.0368 3 5 4 -9 85.7158 16.2097 2 -5 -4 9 70.0623 47.4996 4 -5 -4 9 22.3977 31.1972 3 4 4 -9 27.1336 12.8117 2 -4 -4 9 70.8155 47.2847 4 -4 -4 9 29.4926 31.1787 3 3 4 -9 65.6768 14.7604 2 -3 -4 9 77.7338 43.1293 4 -3 -4 9 50.2121 35.7246 3 2 4 -9 64.4963 13.8288 2 -2 -4 9 96.2275 50.5659 4 1 4 -9 276.812 28.1819 2 1 4 -9 426.273 68.3415 3 -1 -4 9 306.357 69.8108 4 0 4 -9 275.102 69.9322 3 0 -4 9 235.696 67.6231 4 0 -4 9 212.809 36.7863 1 -1 4 -9 66.2664 51.4560 3 1 -4 9 32.8306 52.6168 4 1 -4 9 34.7475 25.4056 1 -2 4 -9 39.3292 63.8518 3 2 -4 9 38.5418 55.3834 4 2 -4 9 54.6301 31.7339 1 3 -4 9 70.9196 71.9025 4 -4 4 -9 18.6987 89.5960 4 -5 4 -9 9.45686 90.7115 4 12 3 -9 -3.9435 28.3787 2 11 3 -9 48.7696 24.4070 2 -11 -3 9 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7 13 103.631 106.574 3 8 -8 -13 21.4949 27.2247 2 -8 8 13 -11.458 73.8226 3 7 -8 -13 20.6073 22.8369 2 -7 8 13 -20.743 60.5214 3 6 -8 -13 37.3126 21.8368 2 -6 8 13 0.09915 61.8178 3 5 -8 -13 93.0175 28.6614 2 -5 8 13 29.8075 72.3066 3 4 -8 -13 123.183 32.6238 2 -4 8 13 78.4345 78.0227 3 3 -8 -13 115.325 29.9418 2 -3 8 13 151.197 88.6628 3 2 -8 -13 58.0496 27.5605 2 -2 8 13 2.71030 75.9273 3 -1 8 13 122.033 95.6590 3 8 -9 -13 14.5447 23.1605 2 -8 9 13 4.11331 66.3788 3 7 -9 -13 21.9092 21.4034 2 -7 9 13 2.48010 72.2312 3 6 -9 -13 18.7507 21.1783 2 -6 9 13 -44.210 69.9693 3 5 -9 -13 14.0155 20.7840 2 -5 9 13 3.09646 82.4848 3 4 -9 -13 36.8835 23.1281 2 -4 9 13 108.097 102.828 3 3 -9 -13 -22.357 22.6569 2 -3 9 13 56.2429 95.3610 3 2 -9 -13 8.26757 28.2597 2 -2 9 13 16.6238 100.021 3 1 -9 -13 104.992 37.4429 2 8 -10 -13 65.5768 28.5230 2 -8 10 13 65.3530 77.2271 3 7 -10 -13 56.1326 25.4146 2 -7 10 13 -4.8313 64.5111 3 6 -10 -13 13.0863 22.5180 2 -6 10 13 -13.356 73.4222 3 5 -10 -13 30.6650 19.7953 2 -5 10 13 43.5800 75.0799 3 4 -10 -13 97.6171 27.6259 2 -4 10 13 63.2909 89.8159 3 3 -10 -13 171.353 38.0345 2 -3 10 13 210.046 95.5689 3 2 -10 -13 13.9919 30.0231 2 -2 10 13 43.9243 92.5999 3 1 -10 -13 -2.7504 33.3445 2 7 -11 -13 194.983 31.5859 2 -7 11 13 39.8275 65.6145 3 6 -11 -13 11.1371 23.6231 2 -6 11 13 10.9898 66.3904 3 5 -11 -13 13.5460 24.2378 2 -5 11 13 5.70309 73.5763 3 4 -11 -13 17.1048 21.7490 2 -4 11 13 -29.723 73.5465 3 3 -11 -13 34.1455 24.2967 2 -3 11 13 119.904 102.933 3 2 -11 -13 -5.1364 31.7223 2 -2 11 13 16.0975 106.263 3 1 -11 -13 1.64397 31.1845 2 7 -12 -13 24.3910 23.7304 2 -7 12 13 0.36200 62.3070 3 6 -12 -13 24.0848 22.3119 2 -6 12 13 14.9606 65.2721 3 5 -12 -13 23.2203 23.9328 2 -5 12 13 17.5993 87.1230 3 4 -12 -13 96.7717 28.7311 2 -4 12 13 80.0556 103.341 3 3 -12 -13 0.94102 22.9020 2 -3 12 13 71.9991 101.689 3 2 -12 -13 97.0435 32.9107 2 -2 12 13 -42.200 95.0283 3 1 -12 -13 33.7433 31.8834 2 -7 13 13 -14.752 66.1440 3 6 -13 -13 167.690 32.8754 2 -6 13 13 82.4990 96.2312 3 5 -13 -13 55.2594 24.9768 2 -5 13 13 63.7918 89.9501 3 4 -13 -13 23.5689 22.3730 2 -4 13 13 31.2948 92.7503 3 3 -13 -13 4.69969 24.6898 2 -3 13 13 2.37711 89.5442 3 2 -13 -13 15.0828 29.4842 2 -2 13 13 -23.005 90.7881 3 6 -14 -13 46.7402 24.8511 2 -6 14 13 39.9301 85.1737 3 5 -14 -13 32.3755 20.2513 2 -5 14 13 53.5681 87.0492 3 4 -14 -13 -8.1622 22.4932 2 -4 14 13 -74.027 85.1510 3 3 -14 -13 14.0395 24.6926 2 -3 14 13 61.7709 87.8053 3 2 -14 -13 156.150 37.4696 2 -2 14 13 19.6172 90.2128 3 -6 15 13 37.4141 84.6017 3 5 -15 -13 16.8317 21.8712 2 -5 15 13 53.5554 98.9744 3 4 -15 -13 23.3907 26.7469 2 -4 15 13 -19.026 82.2485 3 3 -15 -13 34.3617 26.0034 2 -3 15 13 16.3135 82.1632 3 -6 16 13 73.4127 97.4887 3 -5 16 13 -18.256 93.2349 3 -4 16 13 4.10703 87.6268 3 -3 16 13 83.1084 94.9863 3 -4 17 13 -12.075 95.3475 3 4 6 -14 37.9418 53.0189 3 4 5 -14 33.3314 56.6398 3 -7 -3 14 -11.366 58.1274 3 -6 -3 14 -6.4495 66.9782 3 -5 -3 14 3.94878 65.8538 4 -4 -3 14 -1.0404 56.5655 4 3 3 -14 57.9912 59.9253 3 -7 -2 14 26.2568 73.1781 3 6 2 -14 22.1607 20.1720 2 -6 -2 14 0.95049 74.7751 3 -5 -2 14 60.9778 75.5413 4 -4 -2 14 28.6325 63.2214 4 6 1 -14 21.5490 18.8788 2 -6 -1 14 40.2846 55.5078 3 -5 -1 14 69.4653 70.1435 4 -5 -1 14 17.4776 61.9030 3 -4 -1 14 -24.453 63.2429 4 2 1 -14 44.7686 56.3001 3 6 0 -14 226.522 30.5984 2 -6 0 14 37.9976 60.8769 3 -5 0 14 -9.5908 60.6737 3 -4 0 14 28.6764 69.0275 4 3 0 -14 44.0200 55.8962 3 -7 1 14 -35.802 65.8459 3 6 -1 -14 17.8084 18.1545 2 -6 1 14 70.4047 77.6703 3 5 -1 -14 28.5504 19.1028 2 -5 1 14 98.5268 88.7935 3 -4 1 14 -15.463 95.0993 3 2 -1 -14 55.8792 60.6625 3 6 -2 -14 19.5090 19.4206 2 -6 2 14 36.9277 56.0663 3 5 -2 -14 69.3381 24.1864 2 -5 2 14 40.8816 68.9849 3 -4 2 14 -47.682 63.6255 3 6 -3 -14 33.0091 21.5732 2 -6 3 14 -21.818 59.9948 3 5 -3 -14 16.3609 20.5446 2 -5 3 14 21.4562 72.5324 3 -4 3 14 -38.450 82.2952 3 -3 3 14 38.2560 97.7322 3 6 -4 -14 31.5448 19.3848 2 -6 4 14 -8.2804 81.9286 3 5 -4 -14 116.071 27.9005 2 -5 4 14 95.6409 74.2856 3 4 -4 -14 22.0558 28.1869 2 -4 4 14 25.5816 72.4455 3 -3 4 14 -23.892 96.9406 3 6 -5 -14 -10.258 19.9741 2 -6 5 14 -23.462 63.1706 3 5 -5 -14 -5.9947 20.7068 2 -5 5 14 54.6743 81.9104 3 4 -5 -14 24.8991 29.1987 2 -4 5 14 74.7962 90.4852 3 -3 5 14 65.0939 103.751 3 -6 6 14 91.3443 92.8199 3 5 -6 -14 0.93329 19.7155 2 -5 6 14 22.4802 71.8873 3 4 -6 -14 29.4824 30.8912 2 -4 6 14 23.7386 80.7637 3 -3 6 14 82.9573 86.0806 3 5 -7 -14 75.1006 30.7115 2 -5 7 14 48.5421 94.6856 3 4 -7 -14 51.5661 26.9252 2 -4 7 14 48.8464 102.251 3 -3 7 14 89.5060 105.171 3 -5 8 14 86.1913 88.3507 3 -4 8 14 62.0276 95.8552 3 -3 8 14 31.8813 85.1099 3 -5 9 14 16.9574 69.9786 3 -4 9 14 -12.130 80.8541 3 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 61371 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru -0.64552(9) 0.33107(3) -0.74256(10) 0.0334(3) Uani 1 1 d . . . . . Cl1 Cl -0.7785(3) 0.31599(9) -0.6185(3) 0.0409(8) Uani 1 1 d . . . . . Cl2 Cl -0.5490(3) 0.33520(9) -0.9099(3) 0.0443(8) Uani 1 1 d . . . . . S1 S -0.5081(3) 0.28678(9) -0.5885(3) 0.0363(8) Uani 1 1 d . . . . . P1 P -0.8940(3) 0.35127(10) -1.0214(3) 0.0352(8) Uani 1 1 d . . . . . P2 P -0.5852(3) 0.39530(9) -0.6367(3) 0.0301(8) Uani 1 1 d . . . . . O1 O -0.7940(7) 0.3632(2) -0.8909(7) 0.0319(19) Uani 1 1 d . . . . . N1 N -0.7157(8) 0.2726(3) -0.8555(9) 0.032(2) Uani 1 1 d . . . . . H1 H -0.709743 0.272472 -0.935515 0.038 Uiso 1 1 d R U . . . C1 C -0.8894(11) 0.3812(4) -1.1649(12) 0.042(3) Uani 1 1 d . . . . . C2 C -0.9069(13) 0.3649(5) -1.2921(13) 0.057(4) Uani 1 1 d . . . . . H2 H -0.921252 0.336284 -1.306965 0.068 Uiso 1 1 calc R U . . . C3 C -0.9036(12) 0.3898(6) -1.3970(15) 0.067(5) Uani 1 1 d . . . . . H3 H -0.913085 0.377958 -1.480784 0.080 Uiso 1 1 calc R U . . . C4 C -0.8863(13) 0.4319(5) -1.3768(14) 0.057(4) Uani 1 1 d . . . . . H4 H -0.885297 0.449042 -1.447706 0.069 Uiso 1 1 calc R U . . . C5 C -0.8701(12) 0.4494(5) -1.2513(15) 0.058(4) Uani 1 1 d . . . . . H5 H -0.859297 0.478306 -1.239162 0.070 Uiso 1 1 calc R U . . . C6 C -0.8696(11) 0.4245(4) -1.1437(13) 0.047(4) Uani 1 1 d . . . . . H6 H -0.856497 0.436319 -1.058901 0.057 Uiso 1 1 calc R U . . . C7 C -1.0374(12) 0.3601(4) -1.0074(15) 0.041(3) Uani 1 1 d . . . . . C8 C -1.0554(13) 0.3523(4) -0.8867(15) 0.050(4) Uani 1 1 d . . . . . H8 H -0.989458 0.344257 -0.810309 0.060 Uiso 1 1 calc R U . . . C9 C -1.1654(12) 0.3562(4) -0.8767(13) 0.041(3) Uani 1 1 d . . . . . H9 H -1.174428 0.350244 -0.794675 0.049 Uiso 1 1 calc R U . . . C10 C -1.2659(12) 0.3689(4) -0.9890(15) 0.047(4) Uani 1 1 d . . . . . H10 H -1.341873 0.370593 -0.982012 0.056 Uiso 1 1 calc R U . . . C11 C -1.2530(13) 0.3793(4) -1.1128(14) 0.055(4) Uani 1 1 d . . . . . H11 H -1.317916 0.389350 -1.186986 0.066 Uiso 1 1 calc R U . . . C12 C -1.1366(14) 0.3738(4) -1.1187(15) 0.053(4) Uani 1 1 d . . . . . H12 H -1.125807 0.379545 -1.199898 0.063 Uiso 1 1 calc R U . . . C13 C -0.8896(12) 0.2961(4) -1.0638(14) 0.050(4) Uani 1 1 d . . . . . H13A H -0.969388 0.287284 -1.125054 0.061 Uiso 1 1 calc R U . . . H13B H -0.833101 0.292189 -1.110001 0.061 Uiso 1 1 calc R U . . . C14 C -0.8519(12) 0.2698(4) -0.9397(14) 0.049(4) Uani 1 1 d . . . . . H14A H -0.872824 0.240780 -0.965691 0.058 Uiso 1 1 calc R U . . . H14B H -0.896762 0.278560 -0.883662 0.058 Uiso 1 1 calc R U . . . C15 C -0.6695(15) 0.2362(4) -0.7651(15) 0.065(5) Uani 1 1 d . . . . . H15A H -0.687988 0.210473 -0.818219 0.078 Uiso 1 1 calc R U . . . H15B H -0.709105 0.234840 -0.699422 0.078 Uiso 1 1 calc R U . . . C16 C -0.5335(12) 0.2399(4) -0.6912(14) 0.047(3) Uani 1 1 d . . . . . H16A H -0.492998 0.242014 -0.755873 0.057 Uiso 1 1 calc R U . . . H16B H -0.502303 0.215413 -0.634240 0.057 Uiso 1 1 calc R U . . . C17 C -0.3387(13) 0.2906(4) -0.5312(14) 0.047(4) Uani 1 1 d . . . . . C18 C -0.2840(15) 0.2472(5) -0.4872(18) 0.082(5) Uani 1 1 d . . . . . H18A H -0.330844 0.232437 -0.443864 0.123 Uiso 1 1 calc R U . . . H18B H -0.201908 0.250051 -0.424484 0.123 Uiso 1 1 calc R U . . . H18C H -0.284991 0.231638 -0.565526 0.123 Uiso 1 1 calc R U . . . C19 C -0.3037(16) 0.3194(5) -0.4078(15) 0.079(5) Uani 1 1 d . . . . . H19A H -0.284042 0.346801 -0.432234 0.118 Uiso 1 1 calc R U . . . H19B H -0.234543 0.308044 -0.336178 0.118 Uiso 1 1 calc R U . . . H19C H -0.370528 0.321696 -0.377315 0.118 Uiso 1 1 calc R U . . . C20 C -0.2947(14) 0.3093(5) -0.6315(16) 0.079(5) Uani 1 1 d . . . . . H20A H -0.338773 0.297662 -0.719705 0.118 Uiso 1 1 calc R U . . . H20B H -0.209818 0.303358 -0.606495 0.118 Uiso 1 1 calc R U . . . H20C H -0.306769 0.339196 -0.633999 0.118 Uiso 1 1 calc R U . . . C21 C -0.6963(11) 0.4375(3) -0.7251(12) 0.035(3) Uani 1 1 d . . . . . C22 C -0.8149(12) 0.4340(4) -0.7267(13) 0.047(4) Uani 1 1 d . . . . . H22 H -0.836535 0.410781 -0.686953 0.057 Uiso 1 1 calc R U . . . C23 C -0.8971(12) 0.4639(5) -0.7854(13) 0.052(4) Uani 1 1 d . . . . . H23 H -0.976356 0.460601 -0.789229 0.063 Uiso 1 1 calc R U . . . C24 C -0.8665(17) 0.4997(4) -0.8405(16) 0.069(5) Uani 1 1 d . . . . . H24 H -0.923349 0.521048 -0.874743 0.083 Uiso 1 1 calc R U . . . C25 C -0.7575(16) 0.5036(4) -0.8444(14) 0.062(4) Uani 1 1 d . . . . . H25 H -0.739838 0.526809 -0.887449 0.075 Uiso 1 1 calc R U . . . C26 C -0.6646(11) 0.4726(4) -0.7835(12) 0.041(3) Uani 1 1 d . . . . . H26 H -0.586460 0.475925 -0.783223 0.050 Uiso 1 1 calc R U . . . C27 C -0.5799(10) 0.4036(3) -0.4603(11) 0.030(3) Uani 1 1 d . . . . . C28 C -0.5757(10) 0.3699(4) -0.3750(12) 0.037(3) Uani 1 1 d . . . . . H28 H -0.574866 0.342544 -0.405560 0.045 Uiso 1 1 calc R U . . . C29 C -0.5727(11) 0.3771(3) -0.2443(12) 0.038(3) Uani 1 1 d . . . . . H29 H -0.568339 0.354365 -0.187386 0.046 Uiso 1 1 calc R U . . . C30 C -0.5763(10) 0.4182(4) -0.1960(12) 0.038(3) Uani 1 1 d . . . . . H30 H -0.574747 0.422855 -0.108484 0.045 Uiso 1 1 calc R U . . . C31 C -0.5820(10) 0.4509(4) -0.2820(12) 0.035(3) Uani 1 1 d . . . . . H31 H -0.586361 0.478203 -0.252887 0.042 Uiso 1 1 calc R U . . . C32 C -0.5816(12) 0.4444(4) -0.4101(14) 0.048(4) Uani 1 1 d . . . . . H32 H -0.582340 0.467395 -0.464722 0.058 Uiso 1 1 calc R U . . . C33 C -0.4384(10) 0.4184(3) -0.6242(11) 0.028(3) Uani 1 1 d . . . . . C34 C -0.4146(11) 0.4221(3) -0.7475(12) 0.037(3) Uani 1 1 d . . . . . H34 H -0.472709 0.414183 -0.830656 0.044 Uiso 1 1 calc R U . . . C35 C -0.3049(13) 0.4375(4) -0.7400(14) 0.044(4) Uani 1 1 d . . . . . H35 H -0.290922 0.441812 -0.820184 0.053 Uiso 1 1 calc R U . . . C36 C -0.2140(11) 0.4470(4) -0.6179(14) 0.042(3) Uani 1 1 d . . . . . H36 H -0.137852 0.455003 -0.615995 0.050 Uiso 1 1 calc R U . . . C37 C -0.2361(11) 0.4445(4) -0.4963(13) 0.046(3) Uani 1 1 d . . . . . H37 H -0.176529 0.451755 -0.413513 0.055 Uiso 1 1 calc R U . . . C38 C -0.3499(11) 0.4307(3) -0.5036(13) 0.037(3) Uani 1 1 d . . . . . H38 H -0.366739 0.429899 -0.424272 0.045 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 Ru1 0.0502(7) 0.0260(5) 0.0377(6) -0.0002(5) 0.0324(6) 0.0003(5) Cl1 0.056(2) 0.0376(17) 0.043(2) -0.0029(14) 0.0347(18) -0.0080(15) Cl2 0.063(2) 0.0391(17) 0.048(2) 0.0047(15) 0.0406(19) 0.0053(16) S1 0.046(2) 0.0363(17) 0.0335(19) 0.0007(14) 0.0228(17) 0.0033(15) P1 0.038(2) 0.0387(18) 0.038(2) -0.0056(15) 0.0244(18) -0.0007(15) P2 0.0347(19) 0.0325(17) 0.0295(18) 0.0054(13) 0.0194(16) 0.0035(14) O1 0.030(5) 0.037(5) 0.032(5) -0.009(4) 0.015(4) -0.003(4) N1 0.039(6) 0.029(5) 0.026(6) -0.002(4) 0.010(5) 0.002(5) C1 0.042(8) 0.060(9) 0.038(8) -0.005(6) 0.033(7) 0.003(7) C2 0.064(11) 0.071(10) 0.039(9) -0.007(7) 0.022(8) 0.007(8) C3 0.034(9) 0.130(16) 0.035(9) 0.013(10) 0.011(8) 0.016(10) C4 0.051(10) 0.091(12) 0.038(9) 0.022(9) 0.026(8) 0.005(9) C5 0.045(9) 0.059(9) 0.076(11) 0.005(8) 0.029(9) -0.016(7) C6 0.048(9) 0.060(9) 0.044(9) 0.001(7) 0.028(8) -0.012(7) C7 0.029(8) 0.037(7) 0.059(9) -0.009(7) 0.017(8) -0.012(6) C8 0.070(10) 0.032(7) 0.067(10) -0.005(7) 0.047(9) -0.005(7) C9 0.035(8) 0.054(8) 0.034(8) -0.005(6) 0.013(7) -0.001(7) C10 0.033(8) 0.043(8) 0.077(11) -0.015(7) 0.036(8) -0.016(6) C11 0.071(11) 0.050(8) 0.058(10) 0.003(7) 0.041(9) 0.002(8) C12 0.072(11) 0.046(8) 0.063(10) -0.021(7) 0.052(10) -0.020(8) C13 0.046(9) 0.048(8) 0.065(10) -0.013(7) 0.029(8) 0.002(7) C14 0.056(10) 0.039(7) 0.063(10) -0.025(7) 0.036(8) -0.022(7) C15 0.123(15) 0.021(7) 0.084(12) 0.005(7) 0.078(12) 0.000(8) C16 0.048(9) 0.028(7) 0.070(10) -0.002(6) 0.027(8) 0.000(6) C17 0.070(10) 0.029(7) 0.054(9) 0.000(6) 0.037(8) 0.000(7) C18 0.090(13) 0.057(10) 0.117(16) 0.006(10) 0.059(12) 0.009(9) C19 0.102(15) 0.083(12) 0.045(10) -0.008(9) 0.020(10) 0.004(10) C20 0.055(11) 0.117(14) 0.068(12) 0.021(10) 0.028(10) 0.007(10) C21 0.038(8) 0.031(7) 0.046(8) 0.002(6) 0.027(7) 0.000(6) C22 0.049(9) 0.035(7) 0.067(10) -0.001(7) 0.031(8) 0.004(6) C23 0.033(8) 0.062(10) 0.050(9) -0.011(8) 0.001(8) 0.011(7) C24 0.102(15) 0.035(9) 0.066(11) 0.007(8) 0.027(11) 0.029(9) C25 0.104(14) 0.033(8) 0.050(10) 0.015(7) 0.028(10) 0.015(9) C26 0.028(8) 0.032(7) 0.046(9) 0.005(6) -0.007(7) 0.012(6) C27 0.038(8) 0.026(6) 0.028(7) -0.008(5) 0.016(6) -0.007(5) C28 0.035(8) 0.032(7) 0.050(8) -0.003(6) 0.022(7) 0.002(6) C29 0.059(9) 0.030(7) 0.032(7) 0.005(6) 0.024(7) 0.001(6) C30 0.034(8) 0.042(7) 0.039(8) -0.004(6) 0.015(7) 0.002(6) C31 0.038(8) 0.027(6) 0.045(8) 0.001(6) 0.020(7) 0.002(5) C32 0.061(9) 0.026(7) 0.072(10) 0.004(7) 0.043(8) -0.001(6) C33 0.029(7) 0.028(6) 0.030(7) 0.007(5) 0.016(6) -0.001(5) C34 0.052(9) 0.032(7) 0.031(7) 0.012(5) 0.021(7) 0.004(6) C35 0.058(9) 0.033(7) 0.059(10) 0.012(6) 0.043(9) 0.004(7) C36 0.015(7) 0.047(8) 0.062(10) 0.021(7) 0.011(7) 0.009(6) C37 0.031(8) 0.068(9) 0.026(7) 0.007(6) -0.006(7) -0.008(7) C38 0.040(8) 0.036(7) 0.046(8) 0.003(6) 0.027(7) -0.003(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Ru1 N1 87.8(3) . . ? O1 Ru1 S1 170.1(2) . . ? N1 Ru1 S1 84.0(3) . . ? O1 Ru1 P2 87.6(2) . . ? N1 Ru1 P2 175.3(3) . . ? S1 Ru1 P2 100.66(15) . . ? O1 Ru1 Cl2 85.4(2) . . ? N1 Ru1 Cl2 80.6(2) . . ? S1 Ru1 Cl2 98.48(16) . . ? P2 Ru1 Cl2 99.18(12) . . ? O1 Ru1 Cl1 88.2(2) . . ? N1 Ru1 Cl1 86.3(2) . . ? S1 Ru1 Cl1 85.90(16) . . ? P2 Ru1 Cl1 93.43(12) . . ? Cl2 Ru1 Cl1 165.60(12) . . ? C16 S1 C17 99.8(6) . . ? C16 S1 Ru1 99.3(5) . . ? C17 S1 Ru1 125.6(4) . . ? O1 P1 C7 109.9(6) . . ? O1 P1 C1 112.4(5) . . ? C7 P1 C1 108.0(6) . . ? O1 P1 C13 112.8(6) . . ? C7 P1 C13 106.7(6) . . ? C1 P1 C13 106.9(6) . . ? C33 P2 C27 100.7(5) . . ? C33 P2 C21 102.8(5) . . ? C27 P2 C21 99.1(5) . . ? C33 P2 Ru1 120.1(4) . . ? C27 P2 Ru1 120.1(3) . . ? C21 P2 Ru1 110.9(4) . . ? P1 O1 Ru1 135.5(4) . . ? C15 N1 C14 113.2(10) . . ? C15 N1 Ru1 109.6(8) . . ? C14 N1 Ru1 118.1(6) . . ? C15 N1 H1 118.8 . . ? C14 N1 H1 83.0 . . ? Ru1 N1 H1 112.3 . . ? C2 C1 C6 118.8(12) . . ? C2 C1 P1 125.2(11) . . ? C6 C1 P1 116.0(9) . . ? C3 C2 C1 122.0(15) . . ? C3 C2 H2 119.0 . . ? C1 C2 H2 119.0 . . ? C4 C3 C2 119.2(14) . . ? C4 C3 H3 120.4 . . ? C2 C3 H3 120.4 . . ? C3 C4 C5 120.4(13) . . ? C3 C4 H4 119.8 . . ? C5 C4 H4 119.8 . . ? C6 C5 C4 120.9(14) . . ? C6 C5 H5 119.6 . . ? C4 C5 H5 119.6 . . ? C5 C6 C1 118.7(13) . . ? C5 C6 H6 120.6 . . ? C1 C6 H6 120.6 . . ? C12 C7 C8 117.8(12) . . ? C12 C7 P1 121.0(10) . . ? C8 C7 P1 121.2(11) . . ? C9 C8 C7 122.1(14) . . ? C9 C8 H8 119.0 . . ? C7 C8 H8 119.0 . . ? C8 C9 C10 120.4(12) . . ? C8 C9 H9 119.8 . . ? C10 C9 H9 119.8 . . ? C9 C10 C11 120.5(12) . . ? C9 C10 H10 119.8 . . ? C11 C10 H10 119.8 . . ? C10 C11 C12 116.8(14) . . ? C10 C11 H11 121.6 . . ? C12 C11 H11 121.6 . . ? C7 C12 C11 122.4(12) . . ? C7 C12 H12 118.8 . . ? C11 C12 H12 118.8 . . ? C14 C13 P1 110.7(9) . . ? C14 C13 H13A 109.5 . . ? P1 C13 H13A 109.5 . . ? C14 C13 H13B 109.5 . . ? P1 C13 H13B 109.5 . . ? H13A C13 H13B 108.1 . . ? C13 C14 N1 113.3(10) . . ? C13 C14 H14A 108.9 . . ? N1 C14 H14A 108.9 . . ? C13 C14 H14B 108.9 . . ? N1 C14 H14B 108.9 . . ? H14A C14 H14B 107.7 . . ? N1 C15 C16 110.2(10) . . ? N1 C15 H15A 109.6 . . ? C16 C15 H15A 109.6 . . ? N1 C15 H15B 109.6 . . ? C16 C15 H15B 109.6 . . ? H15A C15 H15B 108.1 . . ? C15 C16 S1 106.6(8) . . ? C15 C16 H16A 110.4 . . ? S1 C16 H16A 110.4 . . ? C15 C16 H16B 110.4 . . ? S1 C16 H16B 110.4 . . ? H16A C16 H16B 108.6 . . ? C20 C17 C18 111.4(12) . . ? C20 C17 C19 108.4(12) . . ? C18 C17 C19 109.5(13) . . ? C20 C17 S1 114.4(10) . . ? C18 C17 S1 108.9(9) . . ? C19 C17 S1 103.8(9) . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C17 C20 H20A 109.5 . . ? C17 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C17 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C26 C21 C22 119.4(11) . . ? C26 C21 P2 122.8(9) . . ? C22 C21 P2 117.7(9) . . ? C23 C22 C21 120.2(12) . . ? C23 C22 H22 119.9 . . ? C21 C22 H22 119.9 . . ? C22 C23 C24 121.4(13) . . ? C22 C23 H23 119.3 . . ? C24 C23 H23 119.3 . . ? C25 C24 C23 120.1(14) . . ? C25 C24 H24 120.0 . . ? C23 C24 H24 120.0 . . ? C24 C25 C26 121.4(13) . . ? C24 C25 H25 119.3 . . ? C26 C25 H25 119.3 . . ? C21 C26 C25 117.4(12) . . ? C21 C26 H26 121.3 . . ? C25 C26 H26 121.3 . . ? C28 C27 C32 118.0(10) . . ? C28 C27 P2 121.4(8) . . ? C32 C27 P2 120.6(9) . . ? C29 C28 C27 120.0(10) . . ? C29 C28 H28 120.0 . . ? C27 C28 H28 120.0 . . ? C28 C29 C30 121.3(11) . . ? C28 C29 H29 119.3 . . ? C30 C29 H29 119.3 . . ? C31 C30 C29 117.8(11) . . ? C31 C30 H30 121.1 . . ? C29 C30 H30 121.1 . . ? C32 C31 C30 121.6(11) . . ? C32 C31 H31 119.2 . . ? C30 C31 H31 119.2 . . ? C31 C32 C27 121.2(11) . . ? C31 C32 H32 119.4 . . ? C27 C32 H32 119.4 . . ? C38 C33 C34 118.7(10) . . ? C38 C33 P2 123.9(8) . . ? C34 C33 P2 117.4(9) . . ? C35 C34 C33 118.4(12) . . ? C35 C34 H34 120.8 . . ? C33 C34 H34 120.8 . . ? C34 C35 C36 122.3(12) . . ? C34 C35 H35 118.9 . . ? C36 C35 H35 118.9 . . ? C35 C36 C37 120.1(11) . . ? C35 C36 H36 120.0 . . ? C37 C36 H36 120.0 . . ? C38 C37 C36 117.9(12) . . ? C38 C37 H37 121.0 . . ? C36 C37 H37 121.0 . . ? C33 C38 C37 122.3(11) . . ? C33 C38 H38 118.9 . . ? C37 C38 H38 118.9 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 O1 2.138(8) . ? Ru1 N1 2.203(9) . ? Ru1 S1 2.311(4) . ? Ru1 P2 2.313(4) . ? Ru1 Cl2 2.434(4) . ? Ru1 Cl1 2.437(4) . ? S1 C16 1.804(12) . ? S1 C17 1.875(15) . ? P1 O1 1.501(8) . ? P1 C7 1.780(13) . ? P1 C1 1.809(12) . ? P1 C13 1.818(13) . ? P2 C33 1.846(11) . ? P2 C27 1.860(11) . ? P2 C21 1.872(12) . ? N1 C15 1.473(15) . ? N1 C14 1.532(15) . ? N1 H1 0.8736 . ? C1 C2 1.383(16) . ? C1 C6 1.401(17) . ? C2 C3 1.373(19) . ? C2 H2 0.9300 . ? C3 C4 1.36(2) . ? C3 H3 0.9300 . ? C4 C5 1.385(19) . ? C4 H4 0.9300 . ? C5 C6 1.383(17) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C12 1.393(18) . ? C7 C8 1.389(17) . ? C8 C9 1.351(17) . ? C8 H8 0.9300 . ? C9 C10 1.398(17) . ? C9 H9 0.9300 . ? C10 C11 1.411(17) . ? C10 H10 0.9300 . ? C11 C12 1.413(18) . ? C11 H11 0.9300 . ? C12 H12 0.9300 . ? C13 C14 1.478(18) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.52(2) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C20 1.467(17) . ? C17 C18 1.524(18) . ? C17 C19 1.523(18) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 C26 1.391(15) . ? C21 C22 1.403(16) . ? C22 C23 1.341(17) . ? C22 H22 0.9300 . ? C23 C24 1.386(19) . ? C23 H23 0.9300 . ? C24 C25 1.31(2) . ? C24 H24 0.9300 . ? C25 C26 1.442(17) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.388(15) . ? C27 C32 1.405(15) . ? C28 C29 1.388(15) . ? C28 H28 0.9300 . ? C29 C30 1.408(15) . ? C29 H29 0.9300 . ? C30 C31 1.366(15) . ? C30 H30 0.9300 . ? C31 C32 1.371(16) . ? C31 H31 0.9300 . ? C32 H32 0.9300 . ? C33 C38 1.379(16) . ? C33 C34 1.435(14) . ? C34 C35 1.364(17) . ? C34 H34 0.9300 . ? C35 C36 1.377(17) . ? C35 H35 0.9300 . ? C36 C37 1.404(16) . ? C36 H36 0.9300 . ? C37 C38 1.391(16) . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C7 P1 O1 Ru1 119.6(6) . . . . ? C1 P1 O1 Ru1 -120.2(6) . . . . ? C13 P1 O1 Ru1 0.7(8) . . . . ? O1 P1 C1 C2 137.2(11) . . . . ? C7 P1 C1 C2 -101.4(12) . . . . ? C13 P1 C1 C2 13.0(13) . . . . ? O1 P1 C1 C6 -44.6(11) . . . . ? C7 P1 C1 C6 76.8(11) . . . . ? C13 P1 C1 C6 -168.8(10) . . . . ? C6 C1 C2 C3 1(2) . . . . ? P1 C1 C2 C3 179.1(11) . . . . ? C1 C2 C3 C4 -2(2) . . . . ? C2 C3 C4 C5 1(2) . . . . ? C3 C4 C5 C6 1(2) . . . . ? C4 C5 C6 C1 -2(2) . . . . ? C2 C1 C6 C5 0.9(19) . . . . ? P1 C1 C6 C5 -177.4(10) . . . . ? O1 P1 C7 C12 144.8(10) . . . . ? C1 P1 C7 C12 21.9(12) . . . . ? C13 P1 C7 C12 -92.7(11) . . . . ? O1 P1 C7 C8 -37.2(11) . . . . ? C1 P1 C7 C8 -160.1(10) . . . . ? C13 P1 C7 C8 85.4(11) . . . . ? C12 C7 C8 C9 2.6(18) . . . . ? P1 C7 C8 C9 -175.5(9) . . . . ? C7 C8 C9 C10 -1.1(19) . . . . ? C8 C9 C10 C11 -2.1(19) . . . . ? C9 C10 C11 C12 3.5(18) . . . . ? C8 C7 C12 C11 -1.0(18) . . . . ? P1 C7 C12 C11 177.1(9) . . . . ? C10 C11 C12 C7 -2.0(19) . . . . ? O1 P1 C13 C14 37.0(10) . . . . ? C7 P1 C13 C14 -83.8(11) . . . . ? C1 P1 C13 C14 160.9(9) . . . . ? P1 C13 C14 N1 -75.2(11) . . . . ? C15 N1 C14 C13 -158.0(10) . . . . ? Ru1 N1 C14 C13 71.9(11) . . . . ? C14 N1 C15 C16 176.8(9) . . . . ? Ru1 N1 C15 C16 -49.0(11) . . . . ? N1 C15 C16 S1 62.3(12) . . . . ? C17 S1 C16 C15 -170.8(9) . . . . ? Ru1 S1 C16 C15 -42.0(9) . . . . ? C16 S1 C17 C20 80.8(11) . . . . ? Ru1 S1 C17 C20 -28.2(12) . . . . ? C16 S1 C17 C18 -44.7(11) . . . . ? Ru1 S1 C17 C18 -153.7(8) . . . . ? C16 S1 C17 C19 -161.2(9) . . . . ? Ru1 S1 C17 C19 89.8(9) . . . . ? C33 P2 C21 C26 10.1(11) . . . . ? C27 P2 C21 C26 113.4(10) . . . . ? Ru1 P2 C21 C26 -119.5(10) . . . . ? C33 P2 C21 C22 -167.3(10) . . . . ? C27 P2 C21 C22 -64.0(10) . . . . ? Ru1 P2 C21 C22 63.1(10) . . . . ? C26 C21 C22 C23 0.7(19) . . . . ? P2 C21 C22 C23 178.2(10) . . . . ? C21 C22 C23 C24 -3(2) . . . . ? C22 C23 C24 C25 5(2) . . . . ? C23 C24 C25 C26 -5(2) . . . . ? C22 C21 C26 C25 -0.6(18) . . . . ? P2 C21 C26 C25 -177.9(9) . . . . ? C24 C25 C26 C21 3(2) . . . . ? C33 P2 C27 C28 -114.9(10) . . . . ? C21 P2 C27 C28 140.1(10) . . . . ? Ru1 P2 C27 C28 19.4(11) . . . . ? C33 P2 C27 C32 65.8(11) . . . . ? C21 P2 C27 C32 -39.1(11) . . . . ? Ru1 P2 C27 C32 -159.8(8) . . . . ? C32 C27 C28 C29 -0.3(18) . . . . ? P2 C27 C28 C29 -179.5(9) . . . . ? C27 C28 C29 C30 1.2(19) . . . . ? C28 C29 C30 C31 -0.4(19) . . . . ? C29 C30 C31 C32 -1.5(18) . . . . ? C30 C31 C32 C27 3(2) . . . . ? C28 C27 C32 C31 -1.6(19) . . . . ? P2 C27 C32 C31 177.7(10) . . . . ? C27 P2 C33 C38 9.0(11) . . . . ? C21 P2 C33 C38 111.0(10) . . . . ? Ru1 P2 C33 C38 -125.3(9) . . . . ? C27 P2 C33 C34 -173.2(8) . . . . ? C21 P2 C33 C34 -71.2(9) . . . . ? Ru1 P2 C33 C34 52.4(9) . . . . ? C38 C33 C34 C35 0.4(16) . . . . ? P2 C33 C34 C35 -177.5(8) . . . . ? C33 C34 C35 C36 4.3(17) . . . . ? C34 C35 C36 C37 -5.8(19) . . . . ? C35 C36 C37 C38 2.4(18) . . . . ? C34 C33 C38 C37 -3.7(17) . . . . ? P2 C33 C38 C37 174.1(9) . . . . ? C36 C37 C38 C33 2.3(18) . . . . ?