#------------------------------------------------------------------------------ #$Date: 2020-02-21 02:55:56 +0200 (Fri, 21 Feb 2020) $ #$Revision: 248352 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/73/1557355.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_1557355 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 'C41 H41 Cl2 N O P2 Ru S' _chemical_formula_weight 829.72 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2016/6 _cell_angle_alpha 90 _cell_angle_beta 96.3600(15) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.8808(15) _cell_length_b 10.6576(9) _cell_length_c 19.6658(17) _cell_measurement_reflns_used 9962 _cell_measurement_temperature 100(1) _cell_measurement_theta_max 25.57 _cell_measurement_theta_min 2.23 _cell_volume 3724.6(5) _computing_cell_refinement 'APEX2 V.2014.7-1 (Bruker AXS, 2014)' _computing_data_collection 'APEX2 V.2014.7-1 (Bruker AXS, 2014)' _computing_data_reduction 'SAINT, v. 8.34A (Bruker AXS, 2013)' _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 0.988 _diffrn_measurement_device_type 'Bruker D8 Quest with CMOS detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator 'Bruker Triumph curved graphite' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0470 _diffrn_reflns_av_unetI/netI 0.0306 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.988 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 40851 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.988 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.605 _diffrn_reflns_theta_min 2.177 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.741 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.886 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS v. 2014/3 (Bruker AXS, 2013)' _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.480 _exptl_crystal_description block _exptl_crystal_F_000 1704 _exptl_crystal_size_max 0.170 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.060 _refine_diff_density_max 2.851 _refine_diff_density_min -1.598 _refine_diff_density_rms 0.131 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 2.550 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 442 _refine_ls_number_reflns 6930 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 2.550 _refine_ls_R_factor_all 0.0828 _refine_ls_R_factor_gt 0.0703 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1638 _refine_ls_wR_factor_ref 0.1667 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5991 _reflns_number_total 6930 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file op9b00559_si_002.cif _cod_data_source_block dq0628 _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1557355 _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 0.884 _shelx_estimated_absorpt_t_max 0.957 _shelx_res_file ; TITL dq0628 in P2(1)/n dq0628.res created by SHELXL-2016/6 at 17:17:23 on 12-Feb-2019 CELL 0.71073 17.88080 10.65760 19.66580 90.0000 96.3600 90.0000 ZERR 4.00 0.00150 0.00090 0.00170 0.0000 0.0015 0.0000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H N O P S Cl Ru UNIT 164 164 4 4 8 4 8 4 L.S. 12 BOND SIZE 0.06 0.12 0.17 FMAP 2 ACTA 50 OMIT -21 3 4 OMIT -5 1 6 OMIT -17 3 15 OMIT -11 1 5 OMIT -7 9 7 OMIT 12 3 2 OMIT 7 3 1 OMIT -19 2 5 OMIT -8 3 1 OMIT 9 3 3 OMIT 10 2 10 OMIT 10 1 1 OMIT 18 2 2 OMIT 7 4 3 OMIT -14 2 8 OMIT 6 9 2 OMIT -5 5 6 OMIT 2 6 0 OMIT 8 2 3 OMIT -9 3 7 OMIT -17 1 4 OMIT 0 5 1 OMIT 8 3 11 OMIT -11 3 7 OMIT 11 7 6 OMIT 10 3 2 OMIT 11 6 2 OMIT 15 2 2 OMIT 15 1 4 OMIT 10 7 13 OMIT 2 9 2 OMIT 6 3 2 OMIT -17 3 5 OMIT 16 3 2 OMIT 15 2 1 OMIT 9 6 10 OMIT -2 4 4 OMIT -9 3 1 OMIT 15 3 5 OMIT -1 5 6 OMIT 16 1 1 OMIT -13 8 7 OMIT -11 3 5 OMIT -1 3 4 OMIT 15 3 3 OMIT 19 5 2 OMIT -12 1 7 OMIT 17 6 4 OMIT -21 1 5 OMIT 4 10 2 OMIT 16 3 4 OMIT 11 2 1 OMIT -7 1 2 OMIT 4 6 1 OMIT -15 3 7 omit 0 0 2 PLAN 21 WGHT 0.040000 FVAR 0.09925 RU1 8 0.893552 0.169511 0.784151 11.00000 0.03095 0.01615 = 0.01154 0.00210 0.00023 -0.00355 S1 6 0.870550 0.154335 0.893630 11.00000 0.03574 0.01584 = 0.01371 0.00034 0.00305 -0.00024 CL1 7 0.842770 0.375611 0.764550 11.00000 0.03079 0.01926 = 0.02451 0.00584 -0.00341 -0.00169 CL2 7 0.918851 -0.053951 0.794191 11.00000 0.04530 0.02051 = 0.02144 0.00170 0.00669 0.00033 P1 5 0.858361 0.137390 0.616134 11.00000 0.02710 0.02787 = 0.01150 0.00213 0.00033 -0.00628 P2 5 1.013516 0.240074 0.808136 11.00000 0.02680 0.02247 = 0.01311 0.00400 -0.00123 0.00078 O1 4 0.913203 0.161440 0.677461 11.00000 0.01948 0.02806 = 0.01040 0.00094 -0.00078 -0.00622 N1 3 0.776158 0.110298 0.760868 11.00000 0.03261 0.02263 = 0.01174 0.00029 0.00604 -0.01116 AFIX 13 H1 2 0.776363 0.018348 0.760495 11.00000 -1.20000 AFIX 0 C1 1 0.846165 0.274624 0.563477 11.00000 0.02869 0.03030 = 0.01256 0.00302 0.00413 0.00438 C2 1 0.788495 0.287530 0.510231 11.00000 0.02847 0.04500 = 0.01910 0.00420 -0.00205 -0.00342 AFIX 43 H2 2 0.753751 0.223167 0.500897 11.00000 -1.20000 AFIX 0 C3 1 0.782735 0.395488 0.471283 11.00000 0.04046 0.05783 = 0.01653 0.01165 0.00199 0.01654 AFIX 43 H3 2 0.743263 0.404847 0.436673 11.00000 -1.20000 AFIX 0 C4 1 0.835380 0.489366 0.483620 11.00000 0.05590 0.03093 = 0.02706 0.00587 0.00653 0.01337 AFIX 43 H4 2 0.832214 0.561296 0.456680 11.00000 -1.20000 AFIX 0 C5 1 0.893104 0.476388 0.536289 11.00000 0.05867 0.02692 = 0.03390 0.00314 0.00433 0.00078 AFIX 43 H5 2 0.929189 0.539056 0.544355 11.00000 -1.20000 AFIX 0 C6 1 0.896936 0.370116 0.576808 11.00000 0.03362 0.02567 = 0.02201 -0.00021 -0.00035 -0.00136 AFIX 43 H6 2 0.934329 0.363389 0.613458 11.00000 -1.20000 AFIX 0 C7 1 0.892340 0.011842 0.566279 11.00000 0.02221 0.02532 = 0.01765 0.00446 0.00290 -0.00493 C8 1 0.895337 0.015551 0.495731 11.00000 0.02075 0.03023 = 0.02062 -0.00100 -0.00342 -0.00879 AFIX 43 H8 2 0.879170 0.086679 0.470929 11.00000 -1.20000 AFIX 0 C9 1 0.922307 -0.086404 0.462827 11.00000 0.02093 0.03710 = 0.02036 -0.00234 -0.00108 -0.00742 AFIX 43 H9 2 0.924833 -0.083178 0.415878 11.00000 -1.20000 AFIX 0 C10 1 0.945116 -0.191009 0.498096 11.00000 0.03768 0.02662 = 0.03115 -0.00710 0.00099 -0.00640 AFIX 43 H10 2 0.962486 -0.259570 0.475159 11.00000 -1.20000 AFIX 0 C11 1 0.942741 -0.196729 0.568931 11.00000 0.04858 0.02363 = 0.02691 0.00102 -0.00781 -0.00051 AFIX 43 H11 2 0.959139 -0.268286 0.593231 11.00000 -1.20000 AFIX 0 C12 1 0.915970 -0.095692 0.602231 11.00000 0.04906 0.02766 = 0.01988 0.00284 -0.00655 -0.00476 AFIX 43 H12 2 0.913666 -0.099382 0.649201 11.00000 -1.20000 AFIX 0 C13 1 0.767775 0.083274 0.635977 11.00000 0.02515 0.04017 = 0.01858 0.00409 -0.00015 -0.01053 AFIX 23 H13A 2 0.732558 0.090316 0.594940 11.00000 -1.20000 H13B 2 0.772098 -0.005102 0.647538 11.00000 -1.20000 AFIX 0 C14 1 0.734005 0.151189 0.694152 11.00000 0.02377 0.03579 = 0.02436 0.00843 -0.00126 -0.00259 AFIX 23 H14A 2 0.738418 0.241272 0.688795 11.00000 -1.20000 H14B 2 0.681099 0.130356 0.693281 11.00000 -1.20000 AFIX 0 C15 1 0.730685 0.149320 0.817058 11.00000 0.03233 0.03097 = 0.02992 0.00086 0.00649 -0.01069 AFIX 23 H15A 2 0.726000 0.239945 0.818287 11.00000 -1.20000 H15B 2 0.680678 0.113038 0.809964 11.00000 -1.20000 AFIX 0 C16 1 0.772739 0.101297 0.883437 11.00000 0.03513 0.02788 = 0.01813 0.00010 0.01331 -0.00604 AFIX 23 H16A 2 0.771483 0.010309 0.883676 11.00000 -1.20000 H16B 2 0.747789 0.130907 0.921754 11.00000 -1.20000 AFIX 0 C17 1 0.860318 0.302668 0.937685 11.00000 0.03837 0.01653 = 0.02349 -0.00481 0.00259 0.00185 AFIX 23 H17A 2 0.906938 0.349713 0.939518 11.00000 -1.20000 H17B 2 0.820909 0.352119 0.912585 11.00000 -1.20000 AFIX 0 C18 1 0.841147 0.279809 1.008592 11.00000 0.02674 0.01935 = 0.02060 -0.00514 0.00017 0.00402 C19 1 0.773166 0.319647 1.028603 11.00000 0.03180 0.02884 = 0.02414 -0.00219 -0.00166 0.01407 AFIX 43 H19 2 0.738993 0.362601 0.997942 11.00000 -1.20000 AFIX 0 C20 1 0.756147 0.295353 1.094466 11.00000 0.03268 0.04489 = 0.02385 -0.00445 0.00503 0.00855 AFIX 43 H20 2 0.711080 0.324402 1.108095 11.00000 -1.20000 AFIX 0 C21 1 0.804386 0.229792 1.139226 11.00000 0.04511 0.03814 = 0.01497 0.00231 0.00185 0.01028 AFIX 43 H21 2 0.791688 0.212830 1.182893 11.00000 -1.20000 AFIX 0 C22 1 0.871750 0.188353 1.120525 11.00000 0.04113 0.04183 = 0.01742 -0.00351 -0.00594 0.02246 AFIX 43 H22 2 0.904797 0.143742 1.151424 11.00000 -1.20000 AFIX 0 C23 1 0.890266 0.213275 1.055460 11.00000 0.02129 0.03879 = 0.02269 -0.00848 -0.00537 0.00795 AFIX 43 H23 2 0.936015 0.185339 1.042802 11.00000 -1.20000 AFIX 0 C24 1 1.030026 0.397470 0.773363 11.00000 0.01925 0.03752 = 0.02379 0.00923 -0.00803 -0.00683 C25 1 0.996577 0.502269 0.801298 11.00000 0.02993 0.02565 = 0.03456 0.00932 -0.00728 -0.00247 AFIX 43 H25 2 0.968960 0.491862 0.838288 11.00000 -1.20000 AFIX 0 C26 1 1.004506 0.621385 0.773992 11.00000 0.03807 0.02836 = 0.05369 0.01130 -0.01629 -0.00960 AFIX 43 H26 2 0.984723 0.691111 0.794110 11.00000 -1.20000 AFIX 0 C27 1 1.042242 0.635099 0.716421 11.00000 0.05389 0.04945 = 0.05851 0.02679 -0.02159 -0.02288 AFIX 43 H27 2 1.046848 0.714314 0.697492 11.00000 -1.20000 AFIX 0 C28 1 1.073125 0.532006 0.686849 11.00000 0.04329 0.07242 = 0.03299 0.02453 -0.01200 -0.02224 AFIX 43 H28 2 1.097903 0.542087 0.648051 11.00000 -1.20000 AFIX 0 C29 1 1.066888 0.411268 0.715818 11.00000 0.02547 0.05934 = 0.02394 0.01983 -0.00527 -0.01105 AFIX 43 H29 2 1.087504 0.341801 0.696169 11.00000 -1.20000 AFIX 0 C30 1 1.049456 0.251303 0.899646 11.00000 0.01884 0.02601 = 0.01517 0.00502 0.00029 0.00188 C31 1 1.051311 0.138570 0.935576 11.00000 0.02345 0.02415 = 0.02018 0.00512 0.00032 0.00419 AFIX 43 H31 2 1.036402 0.064876 0.912629 11.00000 -1.20000 AFIX 0 C32 1 1.075096 0.134648 1.005150 11.00000 0.01980 0.02648 = 0.02072 0.00879 -0.00108 0.00486 AFIX 43 H32 2 1.077433 0.058360 1.028247 11.00000 -1.20000 AFIX 0 C33 1 1.095296 0.244078 1.040082 11.00000 0.01902 0.04099 = 0.01828 0.00005 -0.00588 -0.00020 AFIX 43 H33 2 1.109704 0.242030 1.086982 11.00000 -1.20000 AFIX 0 C34 1 1.094014 0.356970 1.004968 11.00000 0.03139 0.02832 = 0.02523 -0.00610 -0.00714 -0.00280 AFIX 43 H34 2 1.107678 0.430560 1.028557 11.00000 -1.20000 AFIX 0 C35 1 1.072511 0.361383 0.934826 11.00000 0.02494 0.02473 = 0.02617 0.00625 -0.00640 -0.00303 AFIX 43 H35 2 1.073440 0.437074 0.911403 11.00000 -1.20000 AFIX 0 C36 1 1.091342 0.150507 0.777950 11.00000 0.02656 0.03934 = 0.01500 0.00969 0.00342 0.00349 C37 1 1.165755 0.182906 0.802028 11.00000 0.03095 0.04514 = 0.02542 0.00820 0.00830 0.00414 AFIX 43 H37 2 1.175317 0.249033 0.832614 11.00000 -1.20000 AFIX 0 C38 1 1.225155 0.115214 0.779741 11.00000 0.03547 0.06039 = 0.02649 0.01685 0.00316 0.00214 AFIX 43 H38 2 1.274462 0.136248 0.795719 11.00000 -1.20000 AFIX 0 C39 1 1.211511 0.018009 0.734519 11.00000 0.04240 0.05367 = 0.02969 0.01628 0.01646 0.01904 AFIX 43 H39 2 1.251552 -0.026114 0.719699 11.00000 -1.20000 AFIX 0 C40 1 1.137631 -0.015151 0.710546 11.00000 0.04745 0.04491 = 0.02420 0.00907 0.00758 0.01893 AFIX 43 H40 2 1.128434 -0.081698 0.680180 11.00000 -1.20000 AFIX 0 C41 1 1.077330 0.052600 0.732572 11.00000 0.02576 0.04316 = 0.01908 0.00086 0.00702 0.00832 AFIX 43 H41 2 1.028064 0.031390 0.716550 11.00000 -1.20000 AFIX 0 HKLF 4 REM dq0628 in P2(1)/n REM R1 = 0.0703 for 5991 Fo > 4sig(Fo) and 0.0828 for all 6930 data REM 442 parameters refined using 0 restraints END WGHT 0.0000 40.2169 REM Highest difference peak 2.851, deepest hole -1.598, 1-sigma level 0.131 Q1 1 0.9406 0.1544 0.7874 11.00000 0.05 2.85 Q2 1 0.9723 -0.0390 0.8023 11.00000 0.05 2.29 Q3 1 0.8820 0.3400 0.7518 11.00000 0.05 1.25 Q4 1 0.9182 0.1490 0.8972 11.00000 0.05 1.03 Q5 1 0.6470 0.1777 0.7643 11.00000 0.05 0.79 Q6 1 0.7822 0.0218 0.7075 11.00000 0.05 0.73 Q7 1 1.0526 0.1955 0.8003 11.00000 0.05 0.70 Q8 1 0.9244 0.5131 0.7789 11.00000 0.05 0.67 Q9 1 0.7904 0.0156 0.8333 11.00000 0.05 0.64 Q10 1 0.9632 0.7049 0.8037 11.00000 0.05 0.64 Q11 1 0.8197 0.0825 0.8835 11.00000 0.05 0.60 Q12 1 0.8234 0.2115 0.7751 11.00000 0.05 0.57 Q13 1 1.0414 0.4678 0.7986 11.00000 0.05 0.57 Q14 1 0.8815 0.0746 0.5973 11.00000 0.05 0.57 Q15 1 0.7025 0.5034 0.3599 11.00000 0.05 0.51 Q16 1 1.1742 0.0389 0.7016 11.00000 0.05 0.51 Q17 1 0.9562 0.1168 0.6732 11.00000 0.05 0.49 Q18 1 0.9979 0.1224 0.8062 11.00000 0.05 0.49 Q19 1 0.8271 0.0764 0.7722 11.00000 0.05 0.49 Q20 1 1.0388 0.3042 0.8106 11.00000 0.05 0.48 Q21 1 0.9832 0.1031 1.1928 11.00000 0.05 0.46 ; _shelx_res_checksum 45740 _shelx_hkl_file ; 2 0 0 81.69 2.07 -2 0 0 78.22 2.05 3 0 0 1.81 0.26 3 0 0 1.68 0.27 3 0 0 1.95 0.24 -3 0 0 1.83 0.24 -3 0 0 1.77 0.27 -3 0 0 1.88 0.26 -4 0 0 639.13 16.35 -4 0 0 645.05 16.37 -4 0 0 660.28 16.38 4 0 0 665.99 16.36 4 0 0 672.40 16.38 4 0 0 655.78 16.38 5 0 0 5.17 0.67 5 0 0 3.56 0.43 -5 0 0 5.65 0.61 6 0 0 767.32 18.82 6 0 0 744.44 18.78 -6 0 0 744.24 18.81 7 0 0 6.93 0.77 -7 0 0 10.13 0.80 8 0 0 127.76 3.46 8 0 0 124.91 3.43 -8 0 0 126.64 3.46 9 0 0 4.24 0.58 -9 0 0 3.61 0.58 9 0 0 2.97 0.57 10 0 0 37.50 1.51 -10 0 0 39.70 1.52 10 0 0 37.91 1.53 11 0 0 -0.77 0.59 11 0 0 -0.62 0.59 -11 0 0 0.92 0.62 12 0 0 20.92 1.37 -12 0 0 24.21 1.40 12 0 0 21.68 1.36 13 0 0 -1.37 0.69 -13 0 0 1.37 0.77 13 0 0 0.15 0.80 -14 0 0 1.35 0.82 14 0 0 1.75 0.89 14 0 0 1.88 0.90 15 0 0 -0.09 0.96 -15 0 0 0.43 0.92 15 0 0 0.48 0.95 16 0 0 34.21 2.09 16 0 0 31.32 2.11 -16 0 0 33.03 2.10 17 0 0 5.33 1.28 17 0 0 1.72 1.25 -17 0 0 4.55 1.28 -18 0 0 19.22 2.26 18 0 0 19.83 2.28 18 0 0 14.39 2.24 19 0 0 -0.89 1.40 -19 0 0 -1.87 1.51 19 0 0 -0.74 1.46 -20 0 0 1.14 1.74 20 0 0 1.93 1.64 20 0 0 1.26 1.71 21 0 0 1.62 1.83 -21 0 0 -0.59 1.95 21 0 0 -1.57 1.83 -1 -1 0 205.51 5.38 -1 -1 0 198.70 5.31 1 1 0 216.37 5.34 -1 1 0 227.66 5.42 2 -1 0 570.87 14.07 2 -1 0 556.27 14.05 2 -1 0 571.95 14.08 -2 -1 0 569.68 14.07 -2 -1 0 563.29 14.08 -2 1 0 582.11 14.07 2 1 0 568.97 14.08 2 1 0 552.36 14.06 2 1 0 559.80 14.04 2 1 0 558.60 14.05 -2 1 0 564.40 14.08 -3 -1 0 106.17 2.84 -3 -1 0 111.41 2.86 -3 -1 0 105.38 2.81 3 -1 0 108.02 2.83 3 -1 0 113.05 2.87 3 1 0 110.97 2.86 -3 1 0 110.40 2.82 3 1 0 111.91 2.84 -3 1 0 109.82 2.87 -3 1 0 109.86 2.85 3 1 0 111.14 2.82 -4 -1 0 389.52 10.21 4 -1 0 422.45 10.23 4 -1 0 403.64 10.22 -4 -1 0 422.81 10.26 -4 -1 0 381.66 10.22 4 -1 0 421.63 10.27 4 1 0 416.32 10.22 4 1 0 420.94 10.24 -4 1 0 410.44 10.22 -4 1 0 391.84 10.22 5 -1 0 382.17 9.45 -5 -1 0 381.69 9.44 -5 -1 0 341.54 9.37 5 -1 0 383.58 9.41 5 1 0 382.43 9.40 -5 1 0 368.55 9.40 5 1 0 374.60 9.40 6 -1 0 587.10 14.92 6 -1 0 601.18 14.97 -6 -1 0 589.61 14.96 6 1 0 616.03 14.93 -6 1 0 584.57 14.93 6 1 0 595.55 14.93 -7 -1 0 95.67 2.72 7 -1 0 98.39 2.73 7 -1 0 96.94 2.69 7 1 0 98.29 2.68 7 1 0 95.30 2.69 -7 1 0 94.80 2.67 8 -1 0 26.58 1.18 8 -1 0 27.14 1.18 -8 -1 0 26.35 1.19 8 1 0 25.77 1.11 8 1 0 27.30 1.18 -8 1 0 26.10 1.12 -9 -1 0 98.46 2.85 9 -1 0 98.54 2.81 9 -1 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0.31 -3 -2 0 17.60 0.77 -3 -2 0 18.69 0.81 3 -2 0 17.50 0.66 -3 -2 0 17.46 0.65 3 -2 0 16.58 0.72 3 -2 0 16.61 0.79 -3 2 0 15.02 0.70 -3 2 0 20.03 0.80 3 2 0 18.06 0.66 -3 2 0 19.45 0.65 -3 2 0 14.65 0.76 3 2 0 16.06 0.83 3 2 0 19.79 0.76 4 -2 0 12.22 0.63 -4 -2 0 12.99 0.76 4 -2 0 13.21 0.76 -4 -2 0 12.24 0.59 4 2 0 12.84 0.67 -4 2 0 13.71 0.76 -4 2 0 14.39 0.62 4 2 0 11.48 0.78 4 2 0 10.76 0.64 -5 -2 0 55.16 1.67 5 -2 0 62.13 1.82 -5 -2 0 61.55 1.81 -5 -2 0 62.42 1.69 5 2 0 62.78 1.72 5 2 0 56.60 1.69 -5 2 0 59.83 1.70 5 2 0 61.35 1.80 -5 2 0 63.35 1.79 -6 -2 0 18.97 0.99 6 -2 0 19.06 0.98 6 2 0 19.89 0.96 -6 2 0 18.49 0.85 6 2 0 18.94 0.86 -6 2 0 18.75 0.95 -7 -2 0 348.05 8.78 7 -2 0 344.19 8.79 -7 2 0 330.54 8.70 7 2 0 342.48 8.73 7 2 0 348.72 8.70 -8 -2 0 48.25 1.66 8 -2 0 50.95 1.69 -8 2 0 47.31 1.55 8 2 0 48.57 1.62 8 2 0 41.68 1.57 9 -2 0 29.18 1.33 -9 -2 0 28.90 1.32 9 -2 0 28.32 1.29 -9 2 0 28.60 1.21 9 2 0 25.87 1.20 9 2 0 27.30 1.29 10 -2 0 0.37 0.57 10 -2 0 1.16 0.62 -10 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1.58 19 2 0 -1.38 1.44 -19 2 0 -0.89 1.54 -20 -2 0 6.02 1.89 20 -2 0 5.69 1.72 20 2 0 6.54 1.73 20 2 0 8.88 1.85 -20 2 0 7.26 1.85 21 -2 0 0.24 1.90 -21 -2 0 -0.94 2.01 21 2 0 -2.71 1.87 -21 2 0 -0.60 1.95 21 2 0 1.04 1.78 0 -3 0 1.69 0.32 0 -3 0 1.29 0.29 0 -3 0 1.54 0.43 0 3 0 1.56 0.35 0 3 0 1.20 0.30 -1 -3 0 250.67 6.12 1 -3 0 238.41 6.10 -1 -3 0 242.20 6.19 1 -3 0 247.14 6.19 -1 -3 0 235.56 6.13 1 -3 0 246.75 6.16 -1 3 0 247.36 6.10 1 3 0 249.01 6.19 1 3 0 243.39 6.14 -1 3 0 234.71 6.15 1 3 0 228.85 6.10 -1 3 0 247.87 6.18 2 -3 0 9.19 0.71 -2 -3 0 9.81 0.75 2 -3 0 9.70 0.67 -2 -3 0 8.67 0.64 2 -3 0 9.55 0.52 -2 3 0 9.99 0.73 -2 3 0 10.16 0.51 2 3 0 11.45 0.79 2 3 0 8.86 0.66 2 3 0 9.51 0.54 3 -3 0 13.44 0.77 3 -3 0 13.74 0.80 3 -3 0 13.71 0.62 -3 -3 0 14.39 0.79 -3 -3 0 13.92 0.81 -3 3 0 14.93 0.84 -3 3 0 14.79 0.62 3 3 0 15.29 0.86 4 -3 0 52.58 1.63 -4 -3 0 51.89 1.57 -4 -3 0 52.09 1.62 -4 -3 0 50.07 1.45 4 -3 0 48.62 1.48 4 -3 0 52.57 1.54 -4 3 0 54.46 1.61 -4 3 0 52.63 1.47 4 3 0 52.20 1.61 4 3 0 50.29 1.46 5 -3 0 327.47 8.18 5 -3 0 329.61 8.07 -5 -3 0 297.95 8.04 -5 -3 0 319.14 8.10 -5 -3 0 319.48 8.16 -5 3 0 318.88 8.07 -5 3 0 321.53 8.14 5 3 0 316.74 8.05 5 3 0 324.74 8.15 -6 -3 0 4.12 0.48 6 -3 0 3.25 0.54 -6 -3 0 3.69 0.55 -6 -3 0 2.52 0.40 6 3 0 4.05 0.66 -6 3 0 4.25 0.64 6 3 0 3.86 0.57 -6 3 0 3.75 0.55 7 -3 0 15.83 1.04 -7 -3 0 16.83 0.86 -7 -3 0 16.87 1.04 -7 3 0 15.48 1.00 7 3 0 15.29 1.03 -7 3 0 16.16 0.86 8 -3 0 60.03 2.01 -8 -3 0 61.49 2.01 8 3 0 62.19 1.85 8 3 0 60.01 1.95 -8 3 0 58.08 1.85 -8 3 0 61.48 1.96 9 -3 0 60.40 2.06 -9 -3 0 61.60 2.06 -9 3 0 59.03 1.91 9 3 0 59.68 2.00 9 3 0 62.91 1.91 -9 3 0 61.25 2.00 -10 -3 0 69.65 2.32 10 -3 0 69.01 2.34 -10 3 0 66.26 2.18 10 3 0 69.67 2.27 10 3 0 74.11 2.20 -10 3 0 73.35 2.29 -11 -3 0 11.31 1.26 11 -3 0 10.29 1.25 11 3 0 10.06 1.10 11 3 0 10.77 1.20 -11 3 0 11.19 1.06 -11 3 0 9.24 1.20 12 -3 0 1.35 0.78 -12 -3 0 1.42 0.78 12 3 0 2.12 0.81 12 3 0 0.03 0.65 -12 3 0 0.95 0.80 -12 3 0 1.64 0.67 -13 -3 0 51.15 2.16 13 -3 0 52.13 2.19 -13 3 0 52.31 2.13 -13 3 0 53.76 2.02 13 3 0 49.53 2.13 13 3 0 51.38 2.02 14 -3 0 4.07 1.02 -14 -3 0 5.24 0.97 14 3 0 3.38 0.87 14 3 0 4.75 1.02 -14 3 0 4.45 1.02 15 -3 0 -1.52 1.05 -15 -3 0 0.07 0.97 15 3 0 -0.69 1.02 -15 3 0 1.27 0.99 -15 3 0 1.10 1.02 15 3 0 -0.47 0.98 -16 -3 0 2.65 1.15 16 -3 0 0.74 1.13 -16 3 0 3.38 1.16 16 3 0 1.68 1.14 -16 3 0 2.26 1.16 16 3 0 0.52 1.12 17 -3 0 8.72 1.54 -17 -3 0 11.54 1.56 17 3 0 8.64 1.46 -17 3 0 12.30 1.45 17 3 0 7.74 1.38 -17 3 0 11.13 1.42 18 -3 0 0.64 1.45 -18 -3 0 -0.79 1.48 18 3 0 -2.21 1.46 -18 3 0 0.73 1.41 18 3 0 -0.92 1.32 -18 3 0 -1.80 1.38 19 -3 0 4.72 1.65 -19 -3 0 3.70 1.70 19 3 0 3.43 1.65 19 3 0 1.42 1.51 -19 3 0 4.03 1.58 -19 3 0 2.58 1.61 -20 -3 0 7.13 1.90 20 -3 0 4.15 1.84 20 3 0 2.66 1.80 -20 3 0 2.27 1.78 -20 3 0 3.54 1.75 20 3 0 1.77 1.62 0 -4 0 261.79 7.00 0 -4 0 283.60 7.11 0 -4 0 286.45 7.03 0 4 0 272.35 7.08 0 4 0 292.08 7.02 0 4 0 269.07 7.03 -1 -4 0 62.84 1.73 -1 -4 0 62.49 1.87 -1 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6.15 -8 -4 0 9.25 1.06 8 -4 0 10.12 1.05 -8 -4 0 10.30 0.90 -8 4 0 9.76 0.86 -8 4 0 9.32 1.04 8 4 0 9.67 0.87 8 4 0 8.60 1.08 9 -4 0 60.39 2.12 -9 -4 0 64.71 2.15 -9 -4 0 61.77 1.92 9 4 0 62.95 1.92 -9 4 0 59.80 1.94 9 4 0 59.30 2.07 -9 4 0 61.20 2.08 10 -4 0 17.22 1.34 -10 -4 0 18.05 1.09 -10 -4 0 20.77 1.36 -10 4 0 16.60 1.14 10 4 0 20.26 1.32 10 4 0 20.04 1.14 -10 4 0 20.04 1.32 -11 -4 0 39.22 1.79 11 -4 0 36.87 1.76 -11 4 0 32.69 1.71 -11 4 0 37.38 1.53 11 4 0 37.55 1.54 11 4 0 36.93 1.73 12 -4 0 -0.09 0.79 -12 -4 0 1.86 0.81 -12 4 0 1.19 0.69 12 4 0 0.97 0.69 -12 4 0 0.83 0.82 12 4 0 0.35 0.83 13 -4 0 12.16 1.56 -13 -4 0 15.00 1.60 -13 4 0 14.39 1.38 -13 4 0 13.21 1.60 13 4 0 13.58 1.38 13 4 0 11.63 1.52 14 -4 0 1.48 1.02 -14 -4 0 2.78 1.05 -14 4 0 1.58 0.92 -14 4 0 2.92 1.01 14 4 0 1.87 1.02 14 4 0 0.56 0.88 -15 -4 0 0.48 1.03 15 -4 0 -0.40 1.09 -15 4 0 -0.72 1.05 15 4 0 -0.53 1.09 -15 4 0 0.67 1.00 15 4 0 -0.82 0.97 -16 -4 0 5.47 1.33 16 -4 0 4.76 1.33 -16 4 0 5.56 1.22 16 4 0 3.20 1.22 -16 4 0 5.17 1.31 16 4 0 3.71 1.29 17 -4 0 -2.60 1.27 -17 -4 0 0.18 1.33 17 4 0 -1.84 1.30 17 4 0 -0.51 1.20 -17 4 0 0.06 1.26 -17 4 0 -1.94 1.29 18 -4 0 -1.99 1.50 -18 -4 0 1.04 1.66 -18 4 0 0.28 1.43 18 4 0 1.54 1.51 18 4 0 2.19 1.36 -18 4 0 1.84 1.46 -19 -4 0 -1.87 1.80 19 -4 0 -1.57 1.64 -19 4 0 -0.57 1.53 19 4 0 0.78 1.69 -19 4 0 -1.11 1.57 19 4 0 0.21 1.46 -20 -4 0 0.62 2.00 20 -4 0 -0.29 1.91 20 4 0 -1.02 1.86 20 4 0 0.94 1.63 -20 4 0 2.49 1.80 -20 4 0 -0.19 1.75 0 -5 0 3.18 0.56 0 -5 0 1.81 0.44 0 5 0 1.29 0.41 0 5 0 2.59 0.54 1 -5 0 97.79 2.77 1 -5 0 94.78 2.68 -1 -5 0 97.33 2.78 -1 -5 0 99.27 2.63 -1 5 0 96.49 2.61 1 5 0 97.82 2.77 1 5 0 97.37 2.66 -1 5 0 95.87 2.76 2 -5 0 340.95 9.14 -2 -5 0 368.62 9.30 2 -5 0 375.16 9.29 2 -5 0 371.00 9.24 2 5 0 328.12 9.14 2 5 0 374.24 9.17 2 5 0 369.95 9.29 -2 5 0 368.62 9.27 2 5 0 373.03 9.22 3 -5 0 6.02 0.83 3 -5 0 6.90 0.91 -3 -5 0 7.38 0.95 -3 5 0 7.26 0.90 -4 -5 0 78.25 2.33 4 -5 0 78.53 2.34 -4 -5 0 79.50 2.37 4 -5 0 77.12 2.36 4 5 0 79.92 2.39 -4 5 0 79.32 2.37 -4 5 0 79.72 2.17 5 -5 0 56.55 1.95 5 -5 0 58.73 1.89 -5 -5 0 54.17 1.93 -5 -5 0 57.44 1.92 -5 5 0 60.99 1.94 -5 5 0 58.84 1.72 5 5 0 62.45 1.96 -6 -5 0 90.07 2.65 6 -5 0 92.20 2.60 -6 -5 0 89.99 2.68 6 -5 0 91.09 2.71 -6 5 0 89.48 2.50 6 5 0 86.60 2.68 -6 5 0 89.38 2.68 7 -5 0 9.66 1.05 -7 -5 0 8.18 1.04 7 -5 0 8.48 0.93 -7 -5 0 6.92 1.00 -7 5 0 8.56 0.80 -7 5 0 10.03 1.08 7 5 0 8.01 1.12 8 -5 0 4.11 0.63 -8 -5 0 3.50 0.67 -8 -5 0 3.59 0.69 8 -5 0 3.66 0.73 -8 5 0 3.99 0.56 8 5 0 3.76 0.72 -8 5 0 2.72 0.70 -9 -5 0 10.97 1.04 -9 -5 0 9.76 1.20 9 -5 0 6.47 0.85 9 5 0 6.42 0.69 -9 5 0 8.50 1.20 9 5 0 8.81 1.24 -9 5 0 9.27 0.94 -10 -5 0 24.96 1.30 10 -5 0 24.40 1.57 -10 -5 0 21.09 1.56 -10 5 0 23.50 1.51 -10 5 0 26.42 1.30 10 5 0 23.85 1.23 10 5 0 22.17 1.51 11 -5 0 15.37 1.50 -11 -5 0 13.06 1.48 -11 -5 0 16.01 1.18 11 5 0 14.51 1.43 -11 5 0 14.66 1.45 -11 5 0 13.04 1.21 11 5 0 14.28 1.21 -12 -5 0 20.47 1.71 12 -5 0 20.05 1.70 -12 -5 0 21.05 1.33 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1.99 -19 -6 0 2.91 2.24 -19 6 0 3.20 1.76 19 6 0 3.76 1.90 -19 6 0 0.50 1.76 0 -7 0 0.22 0.66 0 -7 0 1.13 0.53 0 7 0 0.19 0.49 0 7 0 1.24 0.67 -1 -7 0 0.61 0.66 -1 -7 0 0.99 0.49 1 -7 0 1.66 0.68 1 -7 0 0.08 0.52 -1 7 0 -0.61 0.47 -1 7 0 0.02 0.67 1 7 0 0.40 0.67 1 7 0 0.73 0.53 -2 -7 0 72.01 2.45 2 -7 0 77.24 2.43 2 -7 0 76.58 2.32 2 7 0 71.88 2.23 2 7 0 77.50 2.46 -2 7 0 72.88 2.44 2 7 0 77.84 2.29 3 -7 0 45.56 1.74 3 -7 0 49.45 1.84 -3 -7 0 48.59 1.87 3 7 0 48.42 1.91 -3 7 0 46.25 1.85 4 -7 0 66.64 2.20 4 -7 0 69.09 2.26 -4 -7 0 67.51 2.20 -4 -7 0 66.85 2.30 -4 7 0 68.55 2.31 4 7 0 60.02 2.31 -5 -7 0 26.77 1.51 5 -7 0 31.48 1.53 -5 -7 0 30.73 1.59 5 -7 0 29.58 1.50 5 7 0 31.29 1.62 -5 7 0 31.81 1.61 -6 -7 0 51.14 2.13 6 -7 0 60.24 2.14 6 -7 0 61.59 2.11 -6 -7 0 57.99 2.12 -6 7 0 59.42 2.19 6 7 0 57.54 2.17 -7 -7 0 17.65 1.33 7 -7 0 12.67 1.41 -7 -7 0 15.25 1.41 7 -7 0 15.60 1.32 7 7 0 13.27 1.43 -7 7 0 15.66 1.44 -8 -7 0 35.61 1.76 8 -7 0 34.11 1.70 8 -7 0 34.55 1.84 -8 -7 0 34.09 1.74 -8 7 0 34.77 1.81 8 7 0 32.94 1.83 -9 -7 0 8.44 1.03 9 -7 0 5.57 0.93 9 -7 0 4.85 1.02 -9 -7 0 6.87 1.06 -9 7 0 4.91 1.02 -9 7 0 7.90 1.05 9 7 0 4.74 1.00 -10 -7 0 44.21 2.13 10 -7 0 40.05 1.90 -10 -7 0 38.95 1.96 10 -7 0 39.32 2.17 10 7 0 38.57 2.05 -10 7 0 39.11 1.65 -10 7 0 39.40 2.07 11 -7 0 21.28 1.94 -11 -7 0 25.78 1.91 -11 -7 0 22.05 1.70 -11 7 0 22.26 1.44 11 7 0 19.37 1.87 -11 7 0 22.19 1.90 -12 -7 0 78.00 3.01 -12 -7 0 78.68 2.77 12 -7 0 73.44 3.03 -12 7 0 74.82 2.58 12 7 0 72.53 2.94 -12 7 0 75.56 2.94 -13 -7 0 20.81 2.20 13 -7 0 21.50 2.24 -13 -7 0 18.14 1.85 -13 7 0 23.23 1.74 -13 7 0 25.04 2.11 13 7 0 21.91 2.08 -14 -7 0 3.40 1.23 -14 -7 0 6.40 1.47 14 -7 0 6.81 1.50 14 7 0 3.50 1.42 -14 7 0 6.25 1.23 -14 7 0 6.12 1.39 -15 -7 0 3.38 1.18 -15 -7 0 1.64 1.55 15 -7 0 3.74 1.54 15 7 0 0.92 1.47 -15 7 0 3.13 1.45 -15 7 0 2.24 1.25 -16 -7 0 3.90 1.77 16 -7 0 4.70 1.71 -16 7 0 7.57 1.63 16 7 0 5.85 1.59 -16 7 0 8.12 1.42 -17 -7 0 0.39 1.80 17 -7 0 -0.63 1.73 -17 7 0 3.35 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25.04 0.92 0 2 -4 27.08 0.99 0 2 4 27.30 0.90 0 2 -4 26.57 0.88 0 2 4 26.68 1.04 -1 -2 -4 230.68 5.81 -1 -2 -4 220.36 5.75 1 -2 4 228.04 5.77 -1 -2 -4 230.76 5.75 1 -2 4 232.91 5.80 -1 2 -4 217.84 5.77 1 2 4 237.24 5.84 1 2 4 217.50 5.74 1 2 4 228.03 5.75 -1 2 -4 233.33 5.83 2 -2 4 16.19 0.77 -2 -2 -4 15.95 0.78 2 -2 4 17.24 0.75 -2 -2 -4 16.21 0.73 -2 2 -4 16.91 0.79 2 2 4 14.61 0.71 2 2 4 16.81 0.84 -3 -2 -4 40.51 1.30 -3 -2 -4 41.43 1.30 3 -2 4 40.90 1.26 3 -2 4 42.10 1.34 -3 2 -4 40.74 1.33 3 2 4 41.92 1.26 3 2 4 41.38 1.35 -4 -2 -4 6.97 0.63 4 -2 4 7.25 0.74 4 -2 4 7.75 0.59 -4 -2 -4 7.26 0.71 -4 2 -4 7.30 0.71 4 2 4 7.00 0.73 4 2 4 7.69 0.68 5 -2 4 99.09 2.62 -5 -2 -4 96.67 2.73 -5 -2 -4 98.59 2.66 5 -2 4 99.30 2.77 -5 2 -4 100.09 2.75 5 2 4 99.14 2.68 5 2 4 99.13 2.75 -6 -2 -4 12.20 0.71 6 -2 4 13.43 0.95 -6 -2 -4 12.11 0.89 6 2 4 12.45 0.84 -6 2 -4 12.25 0.82 -6 2 -4 12.85 0.91 6 2 4 13.31 0.93 7 -2 4 49.05 1.80 -7 -2 -4 52.81 1.75 -7 2 -4 53.10 1.64 7 2 4 51.40 1.66 -7 2 -4 53.10 1.76 -8 -2 -4 2.14 0.57 8 -2 4 1.94 0.60 -8 2 -4 2.66 0.53 8 2 4 2.94 0.63 8 2 4 2.58 0.55 -8 2 -4 1.51 0.56 -9 -2 -4 181.88 4.97 9 -2 4 185.10 5.01 9 2 4 185.42 4.88 -9 2 -4 183.12 4.86 9 2 4 187.42 4.96 -9 2 -4 177.08 4.94 -10 -2 -4 23.12 1.39 10 -2 4 24.60 1.36 -10 2 -4 22.46 1.34 10 2 4 28.22 1.33 10 2 4 23.41 1.35 11 -2 4 20.72 1.45 -11 -2 -4 17.50 1.43 11 2 4 18.33 1.38 11 2 4 22.69 1.32 -11 2 -4 19.34 1.34 -12 -2 -4 0.67 0.78 12 -2 4 0.99 0.77 12 2 4 1.20 0.77 -12 2 -4 0.10 0.74 12 2 4 -0.39 0.73 13 -2 4 82.48 2.84 -13 -2 -4 77.55 2.79 13 2 4 82.13 2.80 -13 2 -4 77.46 2.77 13 2 4 82.11 2.70 -14 -2 -4 46.23 2.21 14 -2 4 42.76 2.19 14 2 4 44.23 2.23 -14 2 -4 40.33 2.16 14 2 4 46.22 2.07 15 -2 4 26.06 2.04 -15 -2 -4 24.48 2.01 -15 2 -4 22.60 1.99 15 2 4 24.08 2.03 15 2 4 24.56 1.92 16 -2 4 60.98 2.86 -16 -2 -4 62.63 2.84 16 2 4 67.27 2.86 -16 2 -4 65.15 2.85 16 2 4 61.84 2.71 17 -2 4 32.37 2.53 -17 -2 -4 35.87 2.56 -17 2 -4 34.05 2.50 17 2 4 35.99 2.39 17 2 4 37.04 2.48 18 -2 4 2.99 1.54 -18 -2 -4 3.71 1.54 18 2 4 2.10 1.48 -18 2 -4 5.51 1.63 18 2 4 3.06 1.42 -19 -2 -4 3.54 1.78 19 -2 4 4.43 1.73 19 2 4 3.01 1.62 -19 2 -4 0.89 1.70 -19 2 -4 2.69 1.53 19 2 4 0.45 1.57 -20 -2 -4 8.20 2.01 20 -2 4 4.58 1.91 20 2 4 5.60 1.81 20 2 4 4.96 1.84 -20 2 -4 5.05 1.96 -20 2 -4 3.95 1.70 21 -3 -4 27.96 3.22 -21 -3 4 24.59 3.13 21 3 -4 22.99 3.08 -21 3 4 26.57 3.24 -21 3 4 34.09 2.85 21 3 -4 23.48 2.85 20 -3 -4 7.06 1.91 -20 -3 4 8.40 1.92 -20 3 4 8.60 1.96 20 3 -4 8.10 1.71 20 3 -4 10.09 1.91 -19 -3 4 1.61 1.64 19 -3 -4 1.73 1.64 19 3 -4 2.40 1.48 -19 3 4 0.90 1.64 -19 3 4 2.97 1.47 19 3 -4 4.27 1.69 -18 -3 4 4.45 1.52 18 -3 -4 5.49 1.62 -18 3 4 6.33 1.40 18 3 -4 3.85 1.33 18 3 -4 6.34 1.56 -18 3 4 4.78 1.51 -17 -3 4 58.77 2.88 17 -3 -4 61.18 2.96 17 3 -4 64.65 2.85 -17 3 4 61.04 2.61 17 3 -4 60.28 2.65 -17 3 4 59.62 2.86 16 -3 -4 3.92 1.28 -16 -3 4 3.64 1.18 16 3 -4 1.80 1.08 -16 3 4 1.52 1.05 16 3 -4 3.37 1.20 -16 3 4 3.02 1.20 15 -3 -4 -0.19 1.04 -15 -3 4 -0.62 1.02 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38.87 1.40 5 -4 -4 38.53 1.50 5 4 -4 38.42 1.50 -5 4 4 38.19 1.43 5 4 -4 37.55 1.47 4 -4 -4 8.57 0.83 4 -4 -4 8.54 0.91 -4 -4 4 8.15 0.85 4 4 -4 6.41 0.90 -4 4 4 9.49 0.89 4 4 -4 7.53 0.88 -3 -4 4 1.06 0.51 3 -4 -4 1.29 0.53 3 -4 -4 1.51 0.48 3 4 -4 1.11 0.50 3 4 -4 2.04 0.50 -3 4 4 1.62 0.50 2 -4 -4 4.59 0.57 2 -4 -4 5.31 0.78 -2 -4 4 4.50 0.56 2 4 -4 3.85 0.53 2 4 -4 3.81 0.55 -2 4 4 4.47 0.54 -1 -4 4 132.95 3.52 1 -4 -4 129.90 3.53 1 -4 -4 129.45 3.52 -1 4 4 126.57 3.49 1 4 -4 132.64 3.50 1 4 -4 128.65 3.51 0 -4 -4 5.07 0.54 0 -4 -4 5.39 0.58 0 -4 4 7.26 0.80 0 4 4 5.48 0.78 0 4 -4 5.18 0.62 0 4 -4 5.14 0.72 0 4 -4 5.35 0.55 1 -4 4 82.78 2.31 -1 -4 -4 82.77 2.33 1 -4 4 79.20 2.19 1 4 4 80.60 2.32 -1 4 -4 79.68 2.28 -1 4 -4 75.57 2.25 1 4 4 78.33 2.28 2 -4 4 12.67 0.78 -2 -4 -4 12.77 0.91 2 -4 4 13.50 0.88 -2 -4 -4 11.95 0.70 2 4 4 12.94 0.87 -2 4 -4 13.20 0.83 -2 4 -4 12.45 0.84 2 4 4 12.46 0.89 -3 -4 -4 26.81 1.15 -3 -4 -4 25.03 1.02 3 -4 4 26.36 1.11 3 -4 4 26.72 1.07 3 4 4 27.45 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4 -9 45.60 2.10 -9 -4 9 60.53 2.06 9 -4 -9 58.37 2.04 9 -4 -9 59.12 2.30 9 4 -9 58.42 2.28 9 4 -9 57.99 2.11 -9 4 9 50.81 2.13 8 -4 -9 42.96 1.93 8 -4 -9 41.48 1.69 -8 -4 9 44.47 1.69 8 4 -9 41.57 1.88 -8 4 9 44.06 1.74 8 4 -9 38.86 1.72 7 -4 -9 9.73 1.09 7 -4 -9 10.30 1.33 7 4 -9 9.78 1.30 7 4 -9 8.11 1.12 -7 4 9 11.64 1.10 -6 -4 9 158.81 4.37 6 -4 -9 162.29 4.51 6 -4 -9 158.23 4.36 6 4 -9 159.81 4.49 -6 4 9 159.08 4.33 6 4 -9 157.88 4.33 5 -4 -9 45.56 1.77 -5 -4 9 48.05 1.76 5 -4 -9 47.26 1.89 5 4 -9 46.97 1.84 -5 4 9 51.85 1.70 5 4 -9 51.41 1.73 4 -4 -9 21.61 1.41 4 -4 -9 25.12 1.30 -4 -4 9 27.48 1.28 -4 4 9 26.83 1.21 4 4 -9 24.88 1.37 4 4 -9 27.40 1.23 3 -4 -9 63.60 2.10 3 -4 -9 59.68 2.15 -3 -4 9 63.58 2.07 -3 4 9 64.87 1.97 3 4 -9 65.32 1.99 3 4 -9 62.18 2.12 -2 -4 9 133.36 3.74 2 -4 -9 133.23 3.74 2 4 -9 134.05 3.78 -2 4 9 133.30 3.62 -2 4 9 137.43 3.84 -1 -4 9 60.69 1.83 1 -4 -9 63.33 2.05 -1 -4 9 64.11 2.05 1 4 -9 62.84 2.06 -1 4 9 61.01 2.12 0 -4 -9 132.07 3.61 0 -4 9 125.86 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1.54 -2 5 -21 2.10 1.61 2 5 21 3.84 1.76 3 -5 21 11.26 1.67 -3 -5 -21 11.28 1.81 3 -5 21 15.01 2.16 -3 -5 -21 11.49 1.58 -3 5 -21 7.59 1.77 3 5 21 10.30 1.97 4 -6 -21 3.38 1.82 -4 -6 21 4.43 1.76 4 6 -21 4.48 1.81 -4 6 21 3.70 1.92 3 -6 -21 -2.29 1.72 -3 -6 21 0.08 1.66 -3 6 21 -0.46 1.88 2 -6 -21 0.61 1.74 -2 -6 21 0.84 1.62 2 6 -21 -0.14 1.77 -2 6 21 -0.62 1.94 -1 -6 21 28.75 2.74 1 -6 -21 25.62 2.73 1 6 -21 27.23 2.91 -1 6 21 25.74 2.99 0 -6 21 10.02 1.44 0 -6 -21 6.18 1.87 0 -6 21 9.75 1.76 0 6 21 6.14 2.02 -10 0 22 3.88 1.57 10 0 -22 4.67 1.72 10 0 -22 4.42 1.75 9 0 -22 -1.72 1.56 -9 0 22 -0.15 1.47 9 0 -22 2.39 1.65 8 0 -22 3.24 1.54 8 0 -22 4.62 1.64 -8 0 22 4.15 1.49 -7 0 22 -0.68 1.43 7 0 -22 0.69 1.43 7 0 -22 -0.66 1.53 6 0 -22 0.97 1.53 6 0 -22 1.03 1.40 -6 0 22 2.23 1.44 -5 0 22 1.67 1.43 5 0 -22 0.08 1.48 5 0 -22 -0.46 1.36 -4 0 22 1.33 1.40 4 0 -22 -1.13 1.44 4 0 -22 -0.78 1.34 3 0 -22 -0.84 1.40 -3 0 22 2.52 1.44 3 0 -22 -1.80 1.26 2 0 -22 6.48 1.53 -2 0 22 9.64 1.58 2 0 -22 6.37 1.45 -1 0 22 0.83 1.47 1 0 -22 -0.42 1.26 1 0 -22 -0.92 1.39 0 0 -22 5.18 1.50 0 0 -22 2.44 1.35 0 0 22 6.08 1.54 -1 0 -22 -1.33 1.30 -1 0 -22 -1.47 1.36 1 0 22 0.52 1.48 -2 0 -22 8.98 1.59 2 0 22 11.35 1.73 -2 0 -22 8.54 1.52 -3 0 -22 -1.17 1.39 3 0 22 1.00 1.58 -3 0 -22 1.18 1.41 -4 0 -22 71.44 3.30 4 0 22 71.14 3.44 -4 0 -22 68.26 3.19 -5 0 -22 0.54 1.55 5 0 22 0.48 1.60 -5 0 -22 -1.44 1.37 -6 0 -22 4.15 1.62 -6 0 -22 3.33 1.47 6 0 22 -0.58 1.59 -10 -1 22 0.80 1.65 -10 -1 22 1.30 1.40 10 -1 -22 1.01 1.58 10 -1 -22 3.08 1.77 10 1 -22 0.43 1.73 -10 1 22 1.42 1.65 -9 -1 22 3.76 1.69 9 -1 -22 2.51 1.57 9 -1 -22 1.88 1.69 -9 -1 22 0.41 1.36 -9 1 22 2.69 1.61 9 1 -22 1.89 1.65 8 -1 -22 -2.19 1.41 8 -1 -22 -1.08 1.56 -8 -1 22 -0.72 1.35 8 1 -22 -0.81 1.46 -8 1 22 1.02 1.55 -7 -1 22 2.32 1.38 7 -1 -22 -1.13 1.35 7 -1 -22 0.32 1.56 7 1 -22 -0.56 1.45 -7 1 22 2.06 1.50 -6 -1 22 8.49 1.46 6 -1 -22 7.50 1.70 6 -1 -22 6.78 1.47 6 1 -22 10.60 1.70 -6 1 22 11.89 1.66 6 1 -22 7.29 1.56 5 -1 -22 5.93 1.41 -5 -1 22 5.79 1.40 5 -1 -22 6.20 1.63 -5 1 22 6.18 1.56 5 1 -22 4.47 1.46 5 1 -22 4.39 1.54 4 -1 -22 3.00 1.55 -4 -1 22 6.40 1.46 4 -1 -22 4.57 1.42 4 1 -22 3.78 1.52 4 1 -22 3.76 1.44 -4 1 22 5.69 1.55 3 -1 -22 1.45 1.33 -3 -1 22 3.54 1.43 3 -1 -22 3.30 1.52 -3 1 22 3.68 1.49 3 1 -22 0.99 1.38 3 1 -22 3.59 1.49 2 -1 -22 12.21 1.55 -2 -1 22 14.58 2.27 2 -1 -22 12.70 1.69 -2 1 22 16.65 2.35 2 1 -22 11.84 1.57 2 1 -22 16.02 2.28 1 -1 -22 15.43 2.32 -1 -1 22 18.88 2.29 1 -1 -22 14.89 2.18 -1 1 22 20.57 2.40 1 1 -22 14.09 2.27 1 1 -22 14.04 1.71 0 -1 22 2.75 1.49 0 -1 -22 0.54 1.30 0 -1 -22 -0.75 1.44 0 1 22 2.84 1.52 0 1 -22 0.70 1.39 0 1 -22 0.38 1.34 -1 -1 -22 1.92 1.45 -1 -1 -22 1.47 1.32 1 -1 22 0.50 1.46 1 1 22 -0.64 1.50 -1 1 -22 0.43 1.41 -1 1 -22 -0.92 1.33 -2 -1 -22 -0.56 1.34 -2 -1 -22 0.04 1.43 2 -1 22 -0.61 1.47 -2 1 -22 -1.70 1.40 2 1 22 0.74 1.52 -2 1 -22 1.06 1.43 -3 -1 -22 16.90 2.35 -3 -1 -22 19.63 2.39 3 -1 22 20.18 2.52 3 1 22 17.86 2.57 -3 1 -22 18.86 2.33 -3 1 -22 19.25 2.48 -4 -1 -22 11.29 1.62 4 -1 22 8.64 1.75 -4 -1 -22 9.91 1.71 -4 1 -22 11.32 1.70 -4 1 -22 13.29 1.66 4 1 22 10.84 1.82 -5 -1 -22 1.24 1.49 -5 -1 -22 1.06 1.44 5 -1 22 0.52 1.54 -5 1 -22 0.09 1.58 5 1 22 -0.22 1.59 6 -1 22 46.97 3.14 -6 -1 -22 52.67 2.83 6 1 22 44.99 3.18 -10 -2 22 -1.12 1.69 9 -2 -22 0.62 1.45 9 -2 -22 -0.15 1.67 -9 -2 22 0.66 1.33 9 2 -22 -0.30 1.67 -9 2 22 -0.69 1.70 -8 -2 22 1.90 1.29 -8 -2 22 -0.72 1.56 8 -2 -22 -0.49 1.36 8 -2 -22 0.12 1.62 8 2 -22 0.47 1.59 -8 2 22 0.18 1.65 -7 -2 22 -0.10 1.27 -7 -2 22 -0.11 1.51 7 -2 -22 -3.39 1.54 7 -2 -22 0.73 1.35 7 2 -22 0.80 1.51 -7 2 22 2.00 1.60 -6 -2 22 2.34 1.31 -6 -2 22 1.60 1.56 6 -2 -22 1.34 1.60 6 -2 -22 0.17 1.31 -6 2 22 3.94 1.64 6 2 -22 0.83 1.48 -5 -2 22 1.41 1.31 -5 -2 22 -1.46 1.47 5 -2 -22 0.24 1.51 5 -2 -22 0.12 1.26 -5 2 22 1.72 1.54 5 2 -22 1.05 1.45 -4 -2 22 2.54 1.34 4 -2 -22 -2.31 1.47 -4 -2 22 -1.91 1.45 4 -2 -22 0.45 1.28 -4 2 22 0.00 1.52 4 2 -22 1.07 1.45 -3 -2 22 4.16 1.39 3 -2 -22 3.84 1.57 3 -2 -22 3.76 1.32 3 2 -22 3.51 1.48 -3 2 22 5.84 1.64 2 -2 -22 5.15 1.59 2 -2 -22 7.27 1.40 -2 -2 22 6.65 1.59 -2 -2 22 8.40 1.49 -2 2 22 7.75 1.70 2 2 -22 6.42 1.52 1 -2 -22 -0.54 1.44 1 -2 -22 2.69 1.32 -1 -2 22 3.81 1.43 -1 -2 22 1.70 1.46 1 2 -22 2.48 1.37 -1 2 22 0.65 1.56 0 -2 22 2.51 1.45 0 -2 -22 -0.33 1.47 0 -2 22 3.19 1.47 0 -2 -22 1.26 1.30 0 2 22 2.24 1.62 0 2 -22 2.11 1.39 -1 -2 -22 16.38 2.28 -1 -2 -22 16.36 2.25 1 -2 22 17.23 2.35 1 -2 22 14.86 2.36 -1 2 -22 12.95 1.68 1 2 22 15.65 1.95 -2 -2 -22 20.05 2.40 2 -2 22 18.00 2.42 2 -2 22 17.94 2.40 -2 -2 -22 18.90 2.38 2 2 22 25.86 2.70 -2 2 -22 19.50 2.43 -3 -2 -22 1.17 1.45 3 -2 22 -1.27 1.46 -3 -2 -22 -1.59 1.40 3 -2 22 1.49 1.45 3 2 22 0.89 1.61 -3 2 -22 -0.34 1.41 -4 -2 -22 4.47 1.50 4 -2 22 4.50 1.51 -4 -2 -22 1.99 1.49 4 -2 22 2.99 1.60 4 2 22 5.90 1.70 -4 2 -22 4.71 1.61 5 -2 22 53.09 2.96 -5 -2 -22 57.40 2.96 -5 -2 -22 54.96 3.07 5 -2 22 50.99 3.08 -5 2 -22 54.99 3.21 5 2 22 54.32 3.33 -9 -3 22 5.38 1.72 9 -3 -22 7.44 1.84 -9 3 22 6.89 1.94 8 -3 -22 0.86 1.73 -8 -3 22 1.16 1.64 -8 -3 22 1.53 1.31 8 3 -22 -0.35 1.67 -8 3 22 0.40 1.79 7 -3 -22 -1.92 1.66 -7 -3 22 0.87 1.29 -7 -3 22 1.41 1.57 7 -3 -22 -1.18 1.54 7 3 -22 0.22 1.68 -7 3 22 -1.31 1.68 6 -3 -22 -0.16 1.25 -6 -3 22 1.55 1.31 -6 -3 22 1.03 1.58 6 -3 -22 2.47 1.70 -6 3 22 0.91 1.69 6 3 -22 -0.32 1.61 -5 -3 22 1.24 1.27 5 -3 -22 0.15 1.21 5 -3 -22 0.98 1.63 -5 -3 22 3.70 1.57 5 3 -22 0.00 1.48 -5 3 22 3.32 1.70 4 -3 -22 29.60 2.26 -4 -3 22 36.35 2.30 4 -3 -22 34.20 2.70 -4 -3 22 34.21 2.70 -4 3 22 30.25 2.77 4 3 -22 29.91 2.71 -3 -3 22 3.15 1.52 3 -3 -22 2.89 1.30 3 -3 -22 4.30 1.61 -3 -3 22 3.44 1.37 -3 3 22 2.92 1.66 3 3 -22 1.12 1.49 -2 -3 22 4.25 1.54 2 -3 -22 4.97 1.34 -2 -3 22 6.71 1.43 2 -3 -22 7.27 1.67 2 3 -22 3.22 1.51 -2 3 22 5.91 1.73 -1 -3 22 6.51 1.58 1 -3 -22 7.06 1.39 -1 -3 22 7.32 1.49 1 -3 -22 9.65 1.70 -1 3 22 7.21 1.71 1 3 -22 6.71 1.62 0 -3 -22 3.33 1.34 0 -3 22 0.98 1.42 0 -3 -22 3.20 1.59 0 -3 22 2.33 1.48 0 3 -22 1.83 1.51 0 3 22 1.25 1.60 1 -3 22 4.13 1.51 1 -3 22 2.54 1.44 -1 -3 -22 1.13 1.54 -1 -3 -22 2.33 1.35 -1 3 -22 1.93 1.46 1 3 22 5.35 1.74 -2 -3 -22 3.86 1.45 2 -3 22 3.08 1.47 -2 -3 -22 1.93 1.59 2 -3 22 4.67 1.53 2 3 22 5.60 1.77 -2 3 -22 2.29 1.53 3 -3 22 27.82 2.54 -3 -3 -22 29.63 2.60 -3 -3 -22 31.42 2.58 3 -3 22 21.35 2.48 3 3 22 30.90 2.91 -3 3 -22 26.61 2.68 -4 -3 -22 4.42 1.57 4 -3 22 6.02 1.54 4 -3 22 3.94 1.56 -4 -3 -22 5.94 1.62 -4 3 -22 2.96 1.61 4 3 22 4.52 1.79 7 -4 -22 1.22 1.77 -7 -4 22 1.49 1.70 -7 4 22 0.73 1.88 7 4 -22 0.30 1.66 6 -4 -22 1.93 1.77 -6 -4 22 -0.45 1.63 -6 -4 22 2.80 1.80 -6 4 22 -0.34 1.82 6 4 -22 0.11 1.64 -5 -4 22 29.07 2.72 5 -4 -22 28.82 2.73 -5 -4 22 21.86 2.14 -5 4 22 25.78 2.90 5 4 -22 24.40 2.77 4 -4 -22 3.45 1.66 -4 -4 22 0.71 1.29 -4 -4 22 2.47 1.62 4 4 -22 2.67 1.72 -4 4 22 -0.81 1.75 -3 -4 22 4.94 1.38 3 -4 -22 6.69 1.72 -3 -4 22 4.46 1.60 3 4 -22 2.74 1.64 -3 4 22 2.86 1.83 -2 -4 22 7.69 1.63 -2 -4 22 4.53 1.38 2 -4 -22 4.13 1.64 2 -4 -22 5.17 1.56 2 4 -22 5.96 1.69 -2 4 22 8.51 1.93 -1 -4 22 2.15 1.37 1 -4 -22 2.72 1.31 1 -4 -22 3.98 1.63 -1 -4 22 2.33 1.52 -1 4 22 3.97 1.78 1 4 -22 2.60 1.60 0 -4 -22 1.53 1.60 0 -4 22 3.11 1.53 0 -4 22 -1.88 1.30 0 -4 -22 1.80 1.25 0 4 22 1.13 1.76 0 4 -22 0.23 1.58 -1 -4 -22 11.94 1.80 1 -4 22 9.39 1.67 1 -4 22 5.76 1.47 -1 -4 -22 7.19 1.45 -1 4 -22 8.14 1.78 1 4 22 10.81 1.97 2 -4 22 2.58 1.43 2 -4 22 2.33 1.48 -2 -4 -22 1.07 1.41 -2 -4 -22 1.58 1.58 -2 4 -22 2.42 1.62 2 4 22 4.52 1.81 -3 -5 22 2.72 1.96 -3 -5 22 6.07 1.73 3 -5 -22 5.68 1.85 -3 5 22 3.49 1.89 -2 -5 22 1.03 1.61 -2 -5 22 -1.42 1.27 2 -5 -22 -1.49 1.72 -2 5 22 0.95 1.82 -1 -5 22 -0.53 1.58 -1 -5 22 -0.74 1.29 -1 5 22 1.37 1.85 8 0 -23 0.42 1.73 -8 0 23 0.16 1.56 7 0 -23 1.94 1.72 -7 0 23 2.41 1.54 7 0 -23 1.46 1.58 -6 0 23 1.66 1.53 6 0 -23 -0.15 1.68 6 0 -23 1.57 1.56 -5 0 23 58.75 2.98 5 0 -23 55.82 3.10 5 0 -23 53.19 2.97 -4 0 23 1.98 1.55 4 0 -23 -2.28 1.41 4 0 -23 1.57 1.60 3 0 -23 51.04 2.98 3 0 -23 46.19 2.82 -3 0 23 52.14 2.94 2 0 -23 0.64 1.42 -2 0 23 1.11 1.57 2 0 -23 4.20 1.57 1 0 -23 -0.26 1.40 -1 0 23 3.68 1.64 1 0 -23 3.06 1.60 0 0 23 0.23 1.56 0 0 -23 3.11 1.56 0 0 -23 0.80 1.43 -1 0 -23 6.87 1.67 1 0 23 9.08 1.76 -1 0 -23 4.76 1.55 -2 0 -23 -0.06 1.46 -2 0 -23 -0.07 1.54 2 0 23 1.75 1.69 -3 0 -23 2.35 1.54 -3 0 -23 2.31 1.55 3 0 23 2.74 1.67 -8 -1 23 8.40 1.87 7 -1 -23 3.15 1.78 7 -1 -23 1.14 1.45 -7 -1 23 1.01 1.44 7 1 -23 0.11 1.57 -7 1 23 3.21 1.67 6 -1 -23 0.34 1.71 6 -1 -23 1.12 1.49 -6 -1 23 5.62 1.52 -6 1 23 4.24 1.65 6 1 -23 1.80 1.57 5 -1 -23 3.23 1.66 5 -1 -23 0.32 1.45 -5 -1 23 1.22 1.49 5 1 -23 1.20 1.50 -5 1 23 3.22 1.61 4 -1 -23 5.31 1.73 4 -1 -23 6.77 1.54 -4 -1 23 5.73 1.57 4 1 -23 4.28 1.57 -4 1 23 8.59 1.71 4 1 -23 5.73 1.68 3 -1 -23 0.62 1.45 -3 -1 23 2.88 1.54 3 -1 -23 3.45 1.64 3 1 -23 1.36 1.51 3 1 -23 1.47 1.59 -3 1 23 2.18 1.59 2 -1 -23 2.46 1.48 -2 -1 23 3.13 1.56 2 -1 -23 7.72 1.71 -2 1 23 4.36 1.66 2 1 -23 0.43 1.49 2 1 -23 5.28 1.59 1 -1 -23 0.76 1.57 1 -1 -23 1.63 1.46 -1 -1 23 0.47 1.52 1 1 -23 1.14 1.47 -1 1 23 2.58 1.64 1 1 -23 1.36 1.56 0 -1 -23 10.39 1.74 0 -1 -23 7.16 1.50 0 -1 23 8.69 1.70 0 1 -23 9.51 1.67 0 1 -23 6.41 1.57 0 1 23 10.87 1.83 -1 -1 -23 2.74 1.47 1 -1 23 4.00 1.65 -1 -1 -23 3.48 1.62 -1 1 -23 3.30 1.52 -1 1 -23 3.10 1.56 1 1 23 3.98 1.75 -2 -1 -23 5.98 1.63 2 -1 23 10.30 1.82 -2 -1 -23 8.63 1.71 -2 1 -23 7.26 1.65 2 1 23 9.80 1.88 -2 1 -23 8.10 1.72 -3 -1 -23 29.51 2.63 -3 -1 -23 25.42 2.63 3 -1 23 28.27 2.78 -3 1 -23 29.87 2.78 3 1 23 27.94 2.88 7 -2 -23 3.78 1.82 -7 -2 23 2.76 1.68 -7 -2 23 2.76 1.46 -7 2 23 4.86 1.77 6 -2 -23 2.22 1.43 -6 -2 23 1.99 1.65 -6 -2 23 3.28 1.45 6 -2 -23 -0.02 1.72 6 2 -23 2.10 1.63 -6 2 23 3.23 1.75 5 -2 -23 8.99 1.56 -5 -2 23 14.47 2.17 5 -2 -23 12.15 1.86 -5 -2 23 10.58 1.84 -5 2 23 14.04 1.93 5 2 -23 10.08 1.76 4 -2 -23 -0.55 1.41 -4 -2 23 -0.46 1.57 -4 -2 23 -0.82 1.41 4 -2 -23 -0.86 1.61 -4 2 23 0.96 1.71 4 2 -23 -0.48 1.57 3 -2 -23 3.06 1.42 3 -2 -23 3.65 1.66 -3 -2 23 1.30 1.59 -3 -2 23 5.43 1.52 -3 2 23 4.85 1.69 3 2 -23 2.63 1.62 -2 -2 23 5.18 1.63 2 -2 -23 7.10 1.70 2 -2 -23 7.08 1.51 -2 -2 23 7.49 1.57 -2 2 23 7.51 1.81 2 2 -23 5.06 1.65 1 -2 -23 -0.17 1.57 -1 -2 23 2.50 1.57 -1 -2 23 1.51 1.56 1 -2 -23 1.18 1.44 1 2 -23 1.63 1.54 -1 2 23 3.82 1.76 0 -2 23 1.07 1.55 0 -2 23 2.49 1.55 0 -2 -23 3.34 1.63 0 -2 -23 0.57 1.43 0 2 23 2.16 1.76 0 2 -23 -0.42 1.60 1 -2 23 -0.74 1.58 -1 -2 -23 2.75 1.60 -1 -2 -23 2.05 1.49 1 -2 23 2.20 1.55 -1 2 -23 -2.41 1.46 1 2 23 1.60 1.77 -2 -2 -23 21.30 2.51 2 -2 23 20.18 2.65 2 -2 23 21.26 2.52 -2 -2 -23 22.02 2.55 2 2 23 24.89 2.81 -2 2 -23 24.71 2.64 -5 -3 23 0.13 1.65 5 -3 -23 1.17 1.75 -5 -3 23 0.48 1.37 -5 3 23 1.41 1.81 4 -3 -23 6.92 1.82 4 -3 -23 5.61 1.46 -4 -3 23 7.53 1.76 -4 -3 23 9.75 1.55 4 3 -23 5.75 1.73 -4 3 23 7.08 1.87 -3 -3 23 1.36 1.66 3 -3 -23 2.76 1.40 3 -3 -23 1.17 1.70 -3 -3 23 3.43 1.46 3 3 -23 1.00 1.64 -3 3 23 3.38 1.83 2 -3 -23 4.11 1.71 -2 -3 23 0.73 1.60 -2 -3 23 1.92 1.48 2 -3 -23 0.02 1.36 2 3 -23 1.70 1.54 -2 3 23 -0.35 1.78 1 -3 -23 2.75 1.41 1 -3 -23 0.90 1.62 -1 -3 23 0.34 1.59 -1 -3 23 -1.42 1.44 -1 3 23 -0.14 1.74 1 3 -23 1.56 1.64 0 -3 -23 22.93 2.61 0 -3 -23 22.90 2.42 0 -3 23 23.31 2.68 0 -3 23 17.65 2.43 0 3 -23 24.53 2.65 0 3 23 24.03 2.84 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 9122 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 Ru1 Ru 0.89355(3) 0.16951(4) 0.78415(2) 0.01971(15) Uani 1 1 d . . . . . S1 S 0.87055(8) 0.15433(12) 0.89363(6) 0.0217(3) Uani 1 1 d . . . . . Cl1 Cl 0.84277(8) 0.37561(13) 0.76455(7) 0.0253(3) Uani 1 1 d . . . . . Cl2 Cl 0.91885(9) -0.05395(13) 0.79419(7) 0.0289(3) Uani 1 1 d . . . . . P1 P 0.85836(8) 0.13739(14) 0.61613(7) 0.0223(3) Uani 1 1 d . . . . . P2 P 1.01352(8) 0.24007(13) 0.80814(7) 0.0210(3) Uani 1 1 d . . . . . O1 O 0.9132(2) 0.1614(3) 0.67746(17) 0.0195(8) Uani 1 1 d . . . . . N1 N 0.7762(3) 0.1103(4) 0.7609(2) 0.0221(10) Uani 1 1 d . . . . . H1 H 0.776363 0.018348 0.760495 0.026 Uiso 1 1 calc R U . . . C1 C 0.8462(3) 0.2746(5) 0.5635(3) 0.0237(12) Uani 1 1 d . . . . . C2 C 0.7885(3) 0.2875(6) 0.5102(3) 0.0312(14) Uani 1 1 d . . . . . H2 H 0.753751 0.223167 0.500897 0.037 Uiso 1 1 calc R U . . . C3 C 0.7827(4) 0.3955(7) 0.4713(3) 0.0384(16) Uani 1 1 d . . . . . H3 H 0.743263 0.404847 0.436673 0.046 Uiso 1 1 calc R U . . . C4 C 0.8354(4) 0.4894(6) 0.4836(3) 0.0378(16) Uani 1 1 d . . . . . H4 H 0.832214 0.561296 0.456680 0.045 Uiso 1 1 calc R U . . . C5 C 0.8931(4) 0.4764(6) 0.5363(3) 0.0399(16) Uani 1 1 d . . . . . H5 H 0.929189 0.539056 0.544355 0.048 Uiso 1 1 calc R U . . . C6 C 0.8969(3) 0.3701(5) 0.5768(3) 0.0274(13) Uani 1 1 d . . . . . H6 H 0.934329 0.363389 0.613458 0.033 Uiso 1 1 calc R U . . . C7 C 0.8923(3) 0.0118(5) 0.5663(3) 0.0217(12) Uani 1 1 d . . . . . C8 C 0.8953(3) 0.0156(6) 0.4957(3) 0.0243(13) Uani 1 1 d . . . . . H8 H 0.879170 0.086679 0.470929 0.029 Uiso 1 1 calc R U . . . C9 C 0.9223(3) -0.0864(6) 0.4628(3) 0.0264(13) Uani 1 1 d . . . . . H9 H 0.924833 -0.083178 0.415878 0.032 Uiso 1 1 calc R U . . . C10 C 0.9451(4) -0.1910(6) 0.4981(3) 0.0320(14) Uani 1 1 d . . . . . H10 H 0.962486 -0.259570 0.475159 0.038 Uiso 1 1 calc R U . . . C11 C 0.9427(4) -0.1967(6) 0.5689(3) 0.0339(15) Uani 1 1 d . . . . . H11 H 0.959139 -0.268286 0.593231 0.041 Uiso 1 1 calc R U . . . C12 C 0.9160(4) -0.0957(6) 0.6022(3) 0.0330(15) Uani 1 1 d . . . . . H12 H 0.913666 -0.099382 0.649201 0.040 Uiso 1 1 calc R U . . . C13 C 0.7678(3) 0.0833(6) 0.6360(3) 0.0282(14) Uani 1 1 d . . . . . H13A H 0.732558 0.090316 0.594940 0.034 Uiso 1 1 calc R U . . . H13B H 0.772098 -0.005102 0.647538 0.034 Uiso 1 1 calc R U . . . C14 C 0.7340(3) 0.1512(6) 0.6942(3) 0.0283(14) Uani 1 1 d . . . . . H14A H 0.738418 0.241272 0.688795 0.034 Uiso 1 1 calc R U . . . H14B H 0.681099 0.130356 0.693281 0.034 Uiso 1 1 calc R U . . . C15 C 0.7307(4) 0.1493(6) 0.8171(3) 0.0308(14) Uani 1 1 d . . . . . H15A H 0.726000 0.239945 0.818287 0.037 Uiso 1 1 calc R U . . . H15B H 0.680678 0.113038 0.809964 0.037 Uiso 1 1 calc R U . . . C16 C 0.7727(3) 0.1013(6) 0.8834(3) 0.0263(13) Uani 1 1 d . . . . . H16A H 0.771483 0.010309 0.883676 0.032 Uiso 1 1 calc R U . . . H16B H 0.747789 0.130907 0.921754 0.032 Uiso 1 1 calc R U . . . C17 C 0.8603(3) 0.3027(5) 0.9377(3) 0.0262(13) Uani 1 1 d . . . . . H17A H 0.906938 0.349713 0.939518 0.031 Uiso 1 1 calc R U . . . H17B H 0.820909 0.352119 0.912585 0.031 Uiso 1 1 calc R U . . . C18 C 0.8411(3) 0.2798(5) 1.0086(3) 0.0224(12) Uani 1 1 d . . . . . C19 C 0.7732(3) 0.3196(5) 1.0286(3) 0.0286(14) Uani 1 1 d . . . . . H19 H 0.738993 0.362601 0.997942 0.034 Uiso 1 1 calc R U . . . C20 C 0.7561(4) 0.2954(6) 1.0945(3) 0.0337(15) Uani 1 1 d . . . . . H20 H 0.711080 0.324402 1.108095 0.040 Uiso 1 1 calc R U . . . C21 C 0.8044(4) 0.2298(6) 1.1392(3) 0.0328(15) Uani 1 1 d . . . . . H21 H 0.791688 0.212830 1.182893 0.039 Uiso 1 1 calc R U . . . C22 C 0.8717(4) 0.1884(6) 1.1205(3) 0.0341(16) Uani 1 1 d . . . . . H22 H 0.904797 0.143742 1.151424 0.041 Uiso 1 1 calc R U . . . C23 C 0.8903(3) 0.2133(6) 1.0555(3) 0.0282(14) Uani 1 1 d . . . . . H23 H 0.936015 0.185339 1.042802 0.034 Uiso 1 1 calc R U . . . C24 C 1.0300(3) 0.3975(6) 0.7734(3) 0.0276(13) Uani 1 1 d . . . . . C25 C 0.9966(3) 0.5023(6) 0.8013(3) 0.0309(14) Uani 1 1 d . . . . . H25 H 0.968960 0.491862 0.838288 0.037 Uiso 1 1 calc R U . . . C26 C 1.0045(4) 0.6214(6) 0.7740(4) 0.0416(17) Uani 1 1 d . . . . . H26 H 0.984723 0.691111 0.794110 0.050 Uiso 1 1 calc R U . . . C27 C 1.0422(4) 0.6351(8) 0.7164(4) 0.056(2) Uani 1 1 d . . . . . H27 H 1.046848 0.714314 0.697492 0.067 Uiso 1 1 calc R U . . . C28 C 1.0731(4) 0.5320(8) 0.6868(4) 0.051(2) Uani 1 1 d . . . . . H28 H 1.097903 0.542087 0.648051 0.061 Uiso 1 1 calc R U . . . C29 C 1.0669(4) 0.4113(7) 0.7158(3) 0.0369(16) Uani 1 1 d . . . . . H29 H 1.087504 0.341801 0.696169 0.044 Uiso 1 1 calc R U . . . C30 C 1.0495(3) 0.2513(5) 0.8996(3) 0.0201(12) Uani 1 1 d . . . . . C31 C 1.0513(3) 0.1386(5) 0.9356(3) 0.0227(12) Uani 1 1 d . . . . . H31 H 1.036402 0.064876 0.912629 0.027 Uiso 1 1 calc R U . . . C32 C 1.0751(3) 0.1346(5) 1.0051(3) 0.0226(12) Uani 1 1 d . . . . . H32 H 1.077433 0.058360 1.028247 0.027 Uiso 1 1 calc R U . . . C33 C 1.0953(3) 0.2441(6) 1.0401(3) 0.0267(13) Uani 1 1 d . . . . . H33 H 1.109704 0.242030 1.086982 0.032 Uiso 1 1 calc R U . . . C34 C 1.0940(3) 0.3570(6) 1.0050(3) 0.0291(14) Uani 1 1 d . . . . . H34 H 1.107678 0.430560 1.028557 0.035 Uiso 1 1 calc R U . . . C35 C 1.0725(3) 0.3614(5) 0.9348(3) 0.0260(13) Uani 1 1 d . . . . . H35 H 1.073440 0.437074 0.911403 0.031 Uiso 1 1 calc R U . . . C36 C 1.0913(3) 0.1505(6) 0.7780(3) 0.0269(13) Uani 1 1 d . . . . . C37 C 1.1658(3) 0.1829(6) 0.8020(3) 0.0334(15) Uani 1 1 d . . . . . H37 H 1.175317 0.249033 0.832614 0.040 Uiso 1 1 calc R U . . . C38 C 1.2252(4) 0.1152(7) 0.7797(3) 0.0408(17) Uani 1 1 d . . . . . H38 H 1.274462 0.136248 0.795719 0.049 Uiso 1 1 calc R U . . . C39 C 1.2115(4) 0.0180(7) 0.7345(3) 0.0410(17) Uani 1 1 d . . . . . H39 H 1.251552 -0.026114 0.719699 0.049 Uiso 1 1 calc R U . . . C40 C 1.1376(4) -0.0152(7) 0.7105(3) 0.0386(16) Uani 1 1 d . . . . . H40 H 1.128434 -0.081698 0.680180 0.046 Uiso 1 1 calc R U . . . C41 C 1.0773(3) 0.0526(6) 0.7326(3) 0.0290(14) Uani 1 1 d . . . . . H41 H 1.028064 0.031390 0.716550 0.035 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 0.0310(3) 0.0161(2) 0.0115(2) 0.00210(17) 0.00023(17) -0.00355(19) S1 0.0357(9) 0.0158(7) 0.0137(6) 0.0003(5) 0.0030(6) -0.0002(6) Cl1 0.0308(8) 0.0193(7) 0.0245(7) 0.0058(5) -0.0034(6) -0.0017(6) Cl2 0.0453(10) 0.0205(7) 0.0214(7) 0.0017(5) 0.0067(6) 0.0003(6) P1 0.0271(8) 0.0279(8) 0.0115(7) 0.0021(6) 0.0003(6) -0.0063(6) P2 0.0268(8) 0.0225(8) 0.0131(7) 0.0040(6) -0.0012(6) 0.0008(6) O1 0.019(2) 0.028(2) 0.0104(17) 0.0009(15) -0.0008(14) -0.0062(16) N1 0.033(3) 0.023(2) 0.012(2) 0.0003(18) 0.0060(19) -0.011(2) C1 0.029(3) 0.030(3) 0.013(3) 0.003(2) 0.004(2) 0.004(3) C2 0.028(3) 0.045(4) 0.019(3) 0.004(3) -0.002(2) -0.003(3) C3 0.040(4) 0.058(4) 0.017(3) 0.012(3) 0.002(3) 0.017(3) C4 0.056(5) 0.031(4) 0.027(3) 0.006(3) 0.007(3) 0.013(3) C5 0.059(5) 0.027(4) 0.034(4) 0.003(3) 0.004(3) 0.001(3) C6 0.034(4) 0.026(3) 0.022(3) 0.000(2) 0.000(3) -0.001(3) C7 0.022(3) 0.025(3) 0.018(3) 0.004(2) 0.003(2) -0.005(2) C8 0.021(3) 0.030(3) 0.021(3) -0.001(2) -0.003(2) -0.009(2) C9 0.021(3) 0.037(4) 0.020(3) -0.002(3) -0.001(2) -0.007(3) C10 0.038(4) 0.027(3) 0.031(3) -0.007(3) 0.001(3) -0.006(3) C11 0.049(4) 0.024(3) 0.027(3) 0.001(3) -0.008(3) -0.001(3) C12 0.049(4) 0.028(3) 0.020(3) 0.003(2) -0.007(3) -0.005(3) C13 0.025(3) 0.040(4) 0.019(3) 0.004(3) 0.000(2) -0.011(3) C14 0.024(3) 0.036(4) 0.024(3) 0.008(3) -0.001(2) -0.003(3) C15 0.032(4) 0.031(3) 0.030(3) 0.001(3) 0.006(3) -0.011(3) C16 0.035(4) 0.028(3) 0.018(3) 0.000(2) 0.013(2) -0.006(3) C17 0.038(4) 0.017(3) 0.023(3) -0.005(2) 0.003(3) 0.002(2) C18 0.027(3) 0.019(3) 0.021(3) -0.005(2) 0.000(2) 0.004(2) C19 0.032(4) 0.029(3) 0.024(3) -0.002(2) -0.002(2) 0.014(3) C20 0.033(4) 0.045(4) 0.024(3) -0.004(3) 0.005(3) 0.009(3) C21 0.045(4) 0.038(4) 0.015(3) 0.002(3) 0.002(3) 0.010(3) C22 0.041(4) 0.042(4) 0.017(3) -0.004(3) -0.006(3) 0.022(3) C23 0.021(3) 0.039(4) 0.023(3) -0.008(3) -0.005(2) 0.008(3) C24 0.019(3) 0.038(4) 0.024(3) 0.009(3) -0.008(2) -0.007(3) C25 0.030(4) 0.026(3) 0.035(3) 0.009(3) -0.007(3) -0.002(3) C26 0.038(4) 0.028(4) 0.054(4) 0.011(3) -0.016(3) -0.010(3) C27 0.054(5) 0.049(5) 0.059(5) 0.027(4) -0.022(4) -0.023(4) C28 0.043(5) 0.072(6) 0.033(4) 0.025(4) -0.012(3) -0.022(4) C29 0.025(4) 0.059(4) 0.024(3) 0.020(3) -0.005(3) -0.011(3) C30 0.019(3) 0.026(3) 0.015(3) 0.005(2) 0.000(2) 0.002(2) C31 0.023(3) 0.024(3) 0.020(3) 0.005(2) 0.000(2) 0.004(2) C32 0.020(3) 0.026(3) 0.021(3) 0.009(2) -0.001(2) 0.005(2) C33 0.019(3) 0.041(4) 0.018(3) 0.000(3) -0.006(2) 0.000(3) C34 0.031(4) 0.028(3) 0.025(3) -0.006(2) -0.007(3) -0.003(3) C35 0.025(3) 0.025(3) 0.026(3) 0.006(2) -0.006(2) -0.003(2) C36 0.027(3) 0.039(4) 0.015(3) 0.010(2) 0.003(2) 0.003(3) C37 0.031(4) 0.045(4) 0.025(3) 0.008(3) 0.008(3) 0.004(3) C38 0.035(4) 0.060(5) 0.026(3) 0.017(3) 0.003(3) 0.002(3) C39 0.042(4) 0.054(4) 0.030(3) 0.016(3) 0.016(3) 0.019(3) C40 0.047(4) 0.045(4) 0.024(3) 0.009(3) 0.008(3) 0.019(3) C41 0.026(3) 0.043(4) 0.019(3) 0.001(3) 0.007(2) 0.008(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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' Cl Cl 0.1484 0.1585 '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' 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 92.32(14) . . ? O1 Ru1 S1 173.47(10) . . ? N1 Ru1 S1 84.64(11) . . ? O1 Ru1 P2 87.91(10) . . ? N1 Ru1 P2 177.41(13) . . ? S1 Ru1 P2 95.39(5) . . ? O1 Ru1 Cl1 88.84(10) . . ? N1 Ru1 Cl1 83.86(13) . . ? S1 Ru1 Cl1 96.56(5) . . ? P2 Ru1 Cl1 93.57(5) . . ? O1 Ru1 Cl2 89.49(10) . . ? N1 Ru1 Cl2 84.26(13) . . ? S1 Ru1 Cl2 84.46(5) . . ? P2 Ru1 Cl2 98.32(5) . . ? Cl1 Ru1 Cl2 167.93(5) . . ? C17 S1 C16 100.1(3) . . ? C17 S1 Ru1 115.65(19) . . ? C16 S1 Ru1 101.07(17) . . ? O1 P1 C1 110.8(2) . . ? O1 P1 C13 114.0(2) . . ? C1 P1 C13 109.4(3) . . ? O1 P1 C7 109.7(2) . . ? C1 P1 C7 108.6(2) . . ? C13 P1 C7 104.2(3) . . ? C36 P2 C30 98.9(2) . . ? C36 P2 C24 101.2(3) . . ? C30 P2 C24 104.4(3) . . ? C36 P2 Ru1 119.5(2) . . ? C30 P2 Ru1 116.25(18) . . ? C24 P2 Ru1 114.17(18) . . ? P1 O1 Ru1 128.9(2) . . ? C14 N1 C15 107.6(5) . . ? C14 N1 Ru1 118.4(3) . . ? C15 N1 Ru1 110.5(3) . . ? C6 C1 C2 119.4(5) . . ? C6 C1 P1 117.4(4) . . ? C2 C1 P1 123.2(5) . . ? C3 C2 C1 120.2(6) . . ? C4 C3 C2 120.0(6) . . ? C3 C4 C5 119.8(6) . . ? C4 C5 C6 119.9(6) . . ? C1 C6 C5 120.6(6) . . ? C8 C7 C12 119.1(5) . . ? C8 C7 P1 124.9(4) . . ? C12 C7 P1 116.0(4) . . ? C7 C8 C9 119.9(5) . . ? C10 C9 C8 120.7(5) . . ? C9 C10 C11 120.4(6) . . ? C12 C11 C10 119.4(6) . . ? C11 C12 C7 120.5(5) . . ? C14 C13 P1 116.6(4) . . ? N1 C14 C13 108.3(5) . . ? C16 C15 N1 106.4(5) . . ? C15 C16 S1 111.5(4) . . ? C18 C17 S1 110.4(4) . . ? C23 C18 C19 118.4(5) . . ? C23 C18 C17 120.5(5) . . ? C19 C18 C17 121.0(5) . . ? C18 C19 C20 119.9(5) . . ? C21 C20 C19 120.8(6) . . ? C20 C21 C22 120.4(6) . . ? C21 C22 C23 119.6(5) . . ? C18 C23 C22 120.8(6) . . ? C29 C24 C25 119.9(6) . . ? C29 C24 P2 120.7(5) . . ? C25 C24 P2 118.9(4) . . ? C26 C25 C24 120.5(6) . . ? C27 C26 C25 119.4(7) . . ? C26 C27 C28 120.7(7) . . ? C27 C28 C29 119.9(7) . . ? C24 C29 C28 119.5(7) . . ? C31 C30 C35 118.9(5) . . ? C31 C30 P2 115.1(4) . . ? C35 C30 P2 126.0(4) . . ? C32 C31 C30 120.9(5) . . ? C33 C32 C31 120.0(5) . . ? C32 C33 C34 119.7(5) . . ? C35 C34 C33 120.7(5) . . ? C34 C35 C30 119.7(5) . . ? C41 C36 C37 120.1(6) . . ? C41 C36 P2 120.8(5) . . ? C37 C36 P2 119.1(5) . . ? C38 C37 C36 119.5(6) . . ? C39 C38 C37 120.6(7) . . ? C38 C39 C40 120.3(6) . . ? C39 C40 C41 119.7(7) . . ? C36 C41 C40 119.9(6) . . ? 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 2.167(3) . ? Ru1 N1 2.191(5) . ? Ru1 S1 2.2421(14) . ? Ru1 P2 2.2727(15) . ? Ru1 Cl1 2.3917(14) . ? Ru1 Cl2 2.4281(14) . ? S1 C17 1.822(5) . ? S1 C16 1.828(6) . ? P1 O1 1.490(4) . ? P1 C1 1.791(6) . ? P1 C13 1.802(6) . ? P1 C7 1.804(6) . ? P2 C36 1.839(6) . ? P2 C30 1.847(5) . ? P2 C24 1.848(6) . ? N1 C14 1.503(7) . ? N1 C15 1.501(7) . ? C1 C6 1.370(8) . ? C1 C2 1.393(8) . ? C2 C3 1.380(9) . ? C3 C4 1.377(10) . ? C4 C5 1.386(9) . ? C5 C6 1.382(8) . ? C7 C8 1.395(7) . ? C7 C12 1.388(8) . ? C8 C9 1.379(8) . ? C9 C10 1.352(8) . ? C10 C11 1.400(8) . ? C11 C12 1.374(9) . ? C13 C14 1.533(8) . ? C15 C16 1.521(8) . ? C17 C18 1.492(8) . ? C18 C23 1.394(8) . ? C18 C19 1.385(8) . ? C19 C20 1.387(8) . ? C20 C21 1.356(8) . ? C21 C22 1.371(8) . ? C22 C23 1.382(8) . ? C24 C29 1.379(8) . ? C24 C25 1.407(9) . ? C25 C26 1.392(9) . ? C26 C27 1.388(11) . ? C27 C28 1.386(12) . ? C28 C29 1.417(10) . ? C30 C31 1.392(7) . ? C30 C35 1.401(8) . ? C31 C32 1.388(7) . ? C32 C33 1.381(8) . ? C33 C34 1.386(8) . ? C34 C35 1.391(8) . ? C36 C41 1.378(8) . ? C36 C37 1.405(9) . ? C37 C38 1.394(9) . ? C38 C39 1.370(10) . ? C39 C40 1.398(10) . ? C40 C41 1.405(8) . ?