#------------------------------------------------------------------------------ #$Date: 2016-03-26 22:16:14 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180497 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/21/66/7216644.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_7216644 loop_ _publ_author_name 'Li, Wei' 'Xie, Jian-Hua' 'Yuan, Ming-Lei' 'Zhou, Qi-Lin' _publ_section_title ; Ruthenium complexes of tetradentate bipyridine ligands: highly efficient catalysts for the hydrogenation of carboxylic esters and lactones ; _journal_issue 9 _journal_name_full 'Green Chemistry' _journal_page_first 4081 _journal_paper_doi 10.1039/C4GC00835A _journal_volume 16 _journal_year 2014 _chemical_formula_moiety 'C28 H30 Cl2 N3 P Ru' _chemical_formula_sum 'C28 H30 Cl2 N3 P Ru' _chemical_formula_weight 611.49 _chemical_name_systematic ; ? ; _space_group_crystal_system orthorhombic _space_group_IT_number 61 _space_group_name_Hall '-P 2ac 2ab' _space_group_name_H-M_alt 'P b c a' _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 11.8935(5) _cell_length_b 13.1976(6) _cell_length_c 33.9681(16) _cell_measurement_reflns_used 11516 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 30.00 _cell_measurement_theta_min 1.70 _cell_volume 5331.8(4) _computing_cell_refinement 'CrystalClear-SM Expert 2.0 r15' _computing_data_collection 'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)' _computing_data_reduction 'CrystalClear-SM Expert 2.0 r15' _computing_molecular_graphics 'CrystalStructure 4.0' _computing_publication_material 'CrystalStructure 4.0 (Rigaku, 2009)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 7.314 _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measurement_device_type 'Rigaku Saturn70 CCD' _diffrn_measurement_method \w _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71075 _diffrn_reflns_av_R_equivalents 0.0397 _diffrn_reflns_av_unetI/netI 0.0298 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 46 _diffrn_reflns_limit_l_min -47 _diffrn_reflns_number 42309 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.989 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.499 _diffrn_reflns_theta_min 2.090 _exptl_absorpt_coefficient_mu 0.871 _exptl_absorpt_correction_T_max 0.840 _exptl_absorpt_correction_T_min 0.691 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_crystal_colour black _exptl_crystal_density_diffrn 1.524 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 2496 _exptl_crystal_size_max 0.420 _exptl_crystal_size_mid 0.320 _exptl_crystal_size_min 0.120 _refine_diff_density_max 0.954 _refine_diff_density_min -1.009 _refine_diff_density_rms 0.096 _refine_ls_extinction_coef 0.0042(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.293 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 361 _refine_ls_number_reflns 7351 _refine_ls_number_restraints 49 _refine_ls_restrained_S_all 1.308 _refine_ls_R_factor_all 0.0705 _refine_ls_R_factor_gt 0.0659 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0181P)^2^+17.7928P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1255 _refine_ls_wR_factor_ref 0.1273 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6943 _reflns_number_total 7351 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c4gc00835a2.cif _cod_data_source_block shelxl _cod_depositor_comments 'Adding full bibliography for 7216644.cif.' _cod_database_code 7216644 #BEGIN Tags that were not found in dictionaries: _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 0.711 _shelx_estimated_absorpt_t_max 0.903 _shelxl_version_number 2013-3 _shelx_res_file ; TITL _r131126b1 CELL 0.71075 11.89350 13.19760 33.96810 90.000 90.000 90.000 ZERR 8 0.00050 0.00060 0.00160 0.000 0.000 0.000 LATT 1 SYMM .50-X, .50+Y, +Z SYMM +X, .50-Y, .50+Z SYMM .50-X, -Y, .50+Z SFAC C H Cl N P Ru UNIT 224 240 16 24 8 8 OMIT -3.00 59.00 L.S. 5 ACTA BOND $H FMAP 2 PLAN 5 HTAB C27' Cl2 HTAB C24' Cl2_$1 HTAB C28 Cl2_$1 HTAB C27 Cl2 HTAB C25 Cl1 HTAB C24 Cl2_$1 HTAB C23 Cl2 HTAB C27' Cl2 HTAB C24' Cl2_$1 HTAB C28 Cl2_$1 HTAB C27 Cl2 HTAB C25 Cl1 HTAB C24 Cl2_$1 EQIV $1 -x+3/2, y+1/2, z HTAB C23 Cl2 isor .01 c25' sadi .01 n3 c26 n3 c28 n3 c26' n3 c28' dfix 1.54 .01 c25 c26 c27 c28 c25' c26' c27' c28' sadi .01 c24 c25 c25 c27 c27 c24 c24' c25' c25' c27' c27' c24' dfix 1.5 .01 n3 c24 n3 c25 n3 c27 n3 c24' n3 c25' n3 c27' flat .01 c24' n2' c7' c8' c9' c10' c11' flat .01 c24 n2 c7 c8 c9 c10 c11 dfix 1.5 .01 c24 c11 c24' c11' SHEL 99999.000000 0.000000 WPDB -2 dfix 1.5 .01 c6 c7 c6 c7' eadp c11 c11' eadp c10 c10' eadp c9 c9' eadp c8 c8' eadp c7 c7' eadp n2 n2' HTAB CONF SIZE 0.42 0.32 0.12 TEMP 20.1 WGHT 0.018100 17.792801 EXTI 0.004230 FVAR 0.88474 0.62946 RU1 6 0.514378 0.403828 0.140600 11.00000 0.03144 0.02622 = 0.02245 -0.00039 -0.00261 -0.00098 CL1 3 0.387277 0.526542 0.169240 11.00000 0.04640 0.04960 = 0.04658 -0.01467 0.01516 0.00132 CL2 3 0.650321 0.279463 0.119905 11.00000 0.04804 0.03753 = 0.05464 -0.00238 -0.00518 0.01583 P1 5 0.370964 0.322638 0.109024 11.00000 0.03082 0.03549 = 0.02867 -0.00473 -0.00361 -0.00050 N1 4 0.482667 0.305488 0.183679 11.00000 0.04094 0.03275 = 0.02617 0.00477 -0.00152 0.00150 N3 4 0.602317 0.527789 0.106421 11.00000 0.04397 0.03157 = 0.03025 -0.00250 0.00413 -0.00489 C1 1 0.360819 0.209540 0.141048 11.00000 0.05460 0.03669 = 0.04311 0.00149 0.00142 -0.01291 AFIX 23 H1A 2 0.282406 0.190711 0.143902 11.00000 -1.20000 H1B 2 0.399732 0.153457 0.128597 11.00000 -1.20000 AFIX 0 C2 1 0.409876 0.227314 0.180623 11.00000 0.04762 0.03489 = 0.03647 0.00601 0.00501 -0.00317 C3 1 0.393454 0.162278 0.212599 11.00000 0.07704 0.05236 = 0.04941 0.01819 0.01536 -0.01094 AFIX 43 H3 2 0.340983 0.110179 0.211078 11.00000 -1.20000 AFIX 0 C4 1 0.456129 0.176159 0.246616 11.00000 0.10246 0.06836 = 0.04038 0.02466 0.01475 0.00166 AFIX 43 H4 2 0.444155 0.134378 0.268261 11.00000 -1.20000 AFIX 0 C5 1 0.534772 0.250387 0.248437 11.00000 0.08178 0.06872 = 0.03198 0.01370 -0.00494 0.00558 AFIX 43 H5 2 0.579718 0.257565 0.270667 11.00000 -1.20000 AFIX 0 C6 1 0.547188 0.315247 0.216777 11.00000 0.04703 0.05128 = 0.02624 0.00209 -0.00351 0.00616 C12 1 0.229099 0.376268 0.109958 11.00000 0.03220 0.05817 = 0.04170 -0.01612 -0.00640 0.00183 C13 1 0.193937 0.439904 0.080758 11.00000 0.05176 0.04820 = 0.07920 -0.00112 -0.00872 0.00829 AFIX 43 H13 2 0.241835 0.454806 0.059907 11.00000 -1.20000 AFIX 0 C14 1 0.085486 0.483275 0.081949 11.00000 0.06228 0.05601 = 0.11868 -0.02024 -0.03580 0.01390 AFIX 43 H14 2 0.061730 0.524880 0.061477 11.00000 -1.20000 AFIX 0 C15 1 0.015724 0.464832 0.112644 11.00000 0.03991 0.10410 = 0.14227 -0.02495 -0.01980 0.01552 AFIX 43 H15 2 -0.054810 0.495062 0.113952 11.00000 -1.20000 AFIX 0 C16 1 0.050596 0.402381 0.140887 11.00000 0.05636 0.21433 = 0.10011 -0.00334 0.02256 0.04189 AFIX 43 H16 2 0.001350 0.386551 0.161245 11.00000 -1.20000 AFIX 0 C17 1 0.156478 0.360226 0.141241 11.00000 0.04824 0.17303 = 0.05652 0.01291 0.00198 0.02802 AFIX 43 H17 2 0.179298 0.320916 0.162513 11.00000 -1.20000 AFIX 0 C18 1 0.374625 0.264170 0.059990 11.00000 0.03706 0.03591 = 0.03309 -0.00592 -0.00312 -0.00288 C19 1 0.278444 0.226605 0.041767 11.00000 0.03869 0.05956 = 0.04586 -0.01905 -0.00539 -0.00416 AFIX 43 H19 2 0.209361 0.231502 0.054451 11.00000 -1.20000 AFIX 0 C20 1 0.284665 0.181938 0.004869 11.00000 0.05473 0.06968 = 0.05157 -0.02718 -0.00570 -0.01353 AFIX 43 H20 2 0.219373 0.159226 -0.007341 11.00000 -1.20000 AFIX 0 C21 1 0.387276 0.170846 -0.013965 11.00000 0.06335 0.05622 = 0.04112 -0.02002 0.00175 -0.00781 AFIX 43 H21 2 0.391300 0.140489 -0.038633 11.00000 -1.20000 AFIX 0 C22 1 0.482813 0.205244 0.004266 11.00000 0.04982 0.06328 = 0.04325 -0.01481 0.01391 -0.01234 AFIX 43 H22 2 0.552469 0.196276 -0.007676 11.00000 -1.20000 AFIX 0 C23 1 0.475754 0.253422 0.040510 11.00000 0.04030 0.05640 = 0.04074 -0.01302 0.00338 -0.01351 AFIX 43 H23 2 0.540821 0.279107 0.051955 11.00000 -1.20000 PART 1 AFIX 66 N2 4 0.617458 0.453538 0.180699 21.00000 0.02453 0.03767 = 0.02533 -0.01022 0.00068 0.00847 C7 1 0.638161 0.392319 0.213199 21.00000 0.03876 0.05020 = 0.02399 -0.01039 -0.00297 0.01259 C8 1 0.727965 0.413716 0.238032 21.00000 0.03971 0.06771 = 0.02472 -0.02121 -0.00131 0.02138 AFIX 43 H8 2 0.741816 0.372756 0.259776 21.00000 -1.20000 AFIX 65 C9 1 0.797067 0.496331 0.230365 21.00000 0.04603 0.11020 = 0.03989 -0.02338 -0.01198 -0.01070 AFIX 43 H9 2 0.857152 0.510647 0.246980 21.00000 -1.20000 AFIX 65 C10 1 0.776365 0.557551 0.197866 21.00000 0.03605 0.08090 = 0.04683 -0.03020 0.00227 -0.01436 AFIX 43 H10 2 0.822599 0.612826 0.192737 21.00000 -1.20000 AFIX 65 C11 1 0.686561 0.536155 0.173033 21.00000 0.02892 0.05220 = 0.02815 -0.01625 0.00433 -0.00987 AFIX 0 C24 1 0.650253 0.592169 0.137057 21.00000 0.04932 0.03284 = 0.03486 -0.00825 0.00340 -0.01550 AFIX 23 H24A 2 0.594867 0.642548 0.144557 21.00000 -1.20000 H24B 2 0.714605 0.627782 0.126271 21.00000 -1.20000 AFIX 0 C25 1 0.519856 0.593934 0.082885 21.00000 0.04564 0.03846 = 0.04075 0.01101 0.00587 -0.00075 AFIX 23 H25A 2 0.457774 0.612890 0.099876 21.00000 -1.20000 H25B 2 0.557966 0.655648 0.074981 21.00000 -1.20000 AFIX 0 C26 1 0.473123 0.542152 0.046401 21.00000 0.05564 0.05838 = 0.05181 0.01849 -0.02054 -0.00655 AFIX 137 H26A 2 0.532820 0.530822 0.027896 21.00000 -1.50000 H26B 2 0.416822 0.584523 0.034607 21.00000 -1.50000 H26C 2 0.440220 0.478415 0.053666 21.00000 -1.50000 AFIX 0 C27 1 0.688043 0.490356 0.079723 21.00000 0.03036 0.03259 = 0.03985 -0.00386 0.01194 -0.00389 AFIX 23 H27A 2 0.652157 0.443844 0.061530 21.00000 -1.20000 H27B 2 0.741395 0.451278 0.095085 21.00000 -1.20000 AFIX 0 C28 1 0.754609 0.567280 0.055448 21.00000 0.04278 0.05091 = 0.06104 0.00359 0.01951 -0.00302 AFIX 137 H28A 2 0.707151 0.594985 0.035280 21.00000 -1.50000 H28B 2 0.818001 0.534322 0.043527 21.00000 -1.50000 H28C 2 0.780473 0.620834 0.072294 21.00000 -1.50000 PART 2 AFIX 66 N2' 4 0.639356 0.436718 0.178601 -21.00000 0.02453 0.03767 = 0.02533 -0.01022 0.00068 0.00847 C7' 1 0.627356 0.400295 0.216766 -21.00000 0.03876 0.05020 = 0.02399 -0.01039 -0.00297 0.01259 C8' 1 0.703367 0.429037 0.245774 -21.00000 0.03971 0.06771 = 0.02472 -0.02121 -0.00131 0.02138 AFIX 43 H8' 2 0.695338 0.404667 0.271309 -21.00000 -1.20000 AFIX 65 C9' 1 0.791378 0.494202 0.236618 -21.00000 0.04603 0.11020 = 0.03989 -0.02338 -0.01198 -0.01070 AFIX 43 H9' 2 0.842234 0.513432 0.256026 -21.00000 -1.20000 AFIX 65 C10' 1 0.803379 0.530626 0.198453 -21.00000 0.03605 0.08090 = 0.04683 -0.03020 0.00227 -0.01436 AFIX 43 H10' 2 0.862264 0.574226 0.192326 -21.00000 -1.20000 AFIX 65 C11' 1 0.727369 0.501885 0.169444 -21.00000 0.02892 0.05220 = 0.02815 -0.01625 0.00433 -0.00987 AFIX 0 C24' 1 0.719587 0.528092 0.127248 -21.00000 0.06066 0.03876 = 0.04634 -0.00371 0.00147 -0.00993 AFIX 23 H24C 2 0.767773 0.481528 0.112982 -21.00000 -1.20000 H24D 2 0.751433 0.595241 0.124013 -21.00000 -1.20000 AFIX 0 C25' 1 0.561853 0.632218 0.110211 -21.00000 0.06106 0.04185 = 0.05786 -0.00790 0.01603 0.00015 AFIX 23 H25C 2 0.618769 0.677749 0.099945 -21.00000 -1.20000 H25D 2 0.552007 0.647610 0.137920 -21.00000 -1.20000 AFIX 0 C26' 1 0.449924 0.652660 0.088536 -21.00000 0.07639 0.09624 = 0.06752 -0.00979 -0.00655 0.01322 AFIX 137 H26D 2 0.465228 0.671748 0.061796 -21.00000 -1.50000 H26E 2 0.410305 0.706514 0.101516 -21.00000 -1.50000 H26F 2 0.404691 0.592419 0.088827 -21.00000 -1.50000 AFIX 0 C27' 1 0.629571 0.504250 0.064693 -21.00000 0.04789 0.04104 = 0.05010 0.00236 -0.00308 -0.00477 AFIX 23 H27C 2 0.559904 0.502575 0.049860 -21.00000 -1.20000 H27D 2 0.661958 0.436851 0.063629 -21.00000 -1.20000 AFIX 0 C28' 1 0.710297 0.577588 0.044184 -21.00000 0.04647 0.05342 = 0.06633 0.01368 0.02756 0.00016 AFIX 137 H28D 2 0.676767 0.643682 0.042978 -21.00000 -1.50000 H28E 2 0.725354 0.553940 0.017982 -21.00000 -1.50000 H28F 2 0.779388 0.581126 0.058731 -21.00000 -1.50000 PART 0 AFIX 0 HKLF 4 REM _r131126b1 REM R1 = 0.0659 for 6943 Fo > 4sig(Fo) and 0.0705 for all 7351 data REM 361 parameters refined using 49 restraints END WGHT 0.0181 17.8005 REM Instructions for potential hydrogen bonds HTAB C23 Cl2 HTAB C24 Cl2_$1 HTAB C25 Cl1 HTAB C27 Cl2 HTAB C28 Cl2_$1 HTAB C24' Cl2_$1 HTAB C27' Cl2 REM Highest difference peak 0.954, deepest hole -1.009, 1-sigma level 0.096 Q1 1 -0.0060 0.5081 0.1357 11.00000 0.05 0.95 Q2 1 0.6900 0.5107 0.1708 11.00000 0.05 0.78 Q3 1 0.6211 0.6038 0.1402 11.00000 0.05 0.74 Q4 1 0.4735 0.6415 0.0907 11.00000 0.05 0.68 Q5 1 0.5730 0.4003 0.1390 11.00000 0.05 0.64 ; _shelx_res_checksum 72309 _shelx_hkl_file ; 0 -1 -1 6.77 2.78 0 -1 1 2.95 1.85 0 1 -1 1.05 6.07 -1 0 0 12.59 3.29 1 0 0 8.89 4.62 1 0 -1 12.74 5.37 -1 0 1 5.74 3.71 1 0 1 8.14 4.74 -1 0 -1 8.68 4.27 0 1 2 0.28 3.13 0 1 2 5.66 4.30 0 -1 2 2.34 3.22 0 1 -2 7.60 6.35 1 0 2 393.57 38.15 -1 0 -2 388.93 37.13 1 0 -2 584.26 27.47 -1 0 2 376.55 35.76 -1 0 -2 382.91 36.65 -1 1 0 333.39 33.09 1 1 0 283.91 37.15 -1 -1 0 770.00 33.48 -1 1 0 4124.54 106.80 1 1 0 338.61 35.76 0 1 3 5.50 3.59 0 1 -3 7.17 6.80 0 1 -3 -0.21 5.43 0 -1 -3 3.15 6.10 0 -1 3 5.40 5.48 0 -1 -3 2.41 3.60 1 1 142487.90 549.75 1 0 -3 14.32 4.59 -1 0 -3 18.73 5.61 -1 0 -3 39.82 14.96 1 0 -3 30.38 12.61 1 0 3 17.38 5.99 -1 0 3 7.80 4.65 0 1 4 15.79 6.70 0 1 -4 11.66 7.73 0 1 -4 5.25 9.66 0 -1 -4 7.74 5.70 0 -1 -4 4.03 3.71 0 -1 4 2.44 4.77 1 0 -4 5726.87 149.85 1 0 -4 5662.73 144.84 -1 0 -4 5557.76 148.71 1 0 4 5953.87 152.52 -1 0 -4 6088.22 155.32 -1 0 4 5657.77 142.81 0 0 -5 17.04 12.44 0 0 -5 4.99 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99.93 12 0 1 164.05 56.85 12 0 -1 127.98 45.22 6 -11 -9 1836.27 83.32 -6 11 -9 1906.95 168.95 6 11 -9 1717.24 107.18 6 11 -9 1782.30 124.00 6 11 9 1897.69 125.30 -6 11 -9 1867.72 130.52 -6 -11 9 1700.50 129.19 -6 -11 -9 1928.27 134.64 -6 -11 -9 1762.70 150.94 -6 11 9 1780.37 156.42 -10 -7 -6 41.55 25.36 -10 7 -6 85.87 49.85 1 -13 -7 127.88 55.51 -1 -13 7 83.38 52.10 1 13 -7 218.54 76.03 10 7 6 61.53 59.73 -10 7 6 77.32 41.75 -10 0 -19 128.76 46.14 10 7 -6 11.05 34.66 -1 13 -7 86.24 67.29 1 13 7 107.31 65.74 1 -13 7 103.90 64.88 -1 13 7 51.06 71.66 10 0 -19 96.44 59.82 -1 -13 -7 119.86 58.85 10 5 -14 556.24 101.94 10 5 14 537.38 73.69 3 -10 21 864.21 96.59 -10 -5 -14 436.26 54.99 -3 -10 21 807.39 84.07 -2 13 5 451.67 84.42 2 13 5 410.75 56.37 3 10 -21 614.65 139.54 2 13 5 477.96 197.06 -2 13 -5 417.99 73.89 2 13 -5 401.76 67.11 2 13 -5 470.96 74.49 3 10 21 778.20 70.07 3 10 -21 705.71 83.25 10 -5 -14 455.58 55.70 -2 -13 -5 396.26 93.50 -10 -5 -14 473.93 53.22 3 -10 -21 706.00 68.49 -3 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114.40 4 2 -32 1294.35 102.27 -5 9 -21 2126.87 199.69 -5 -9 -21 2220.14 122.13 -6 10 -15 967.61 193.40 2 3 -33 72.09 38.38 -5 -9 21 2013.53 167.56 -5 9 -21 2115.07 151.63 -9 -7 -14 136.10 56.47 -2 3 -33 10.73 20.14 6 10 15 1223.51 129.21 5 9 -21 2219.11 145.29 -12 1 0 174.75 67.98 -2 -3 -33 40.58 39.51 -9 7 -14 119.19 68.72 -6 10 15 718.86 82.39 -9 -7 14 95.58 41.86 2 -3 -33 43.82 36.06 -6 -10 15 812.04 74.65 2 3 -33 69.41 46.54 9 7 14 179.93 52.88 6 10 -15 970.04 97.11 -6 -10 -15 802.39 58.78 12 1 0 135.30 52.93 -6 -10 -15 1078.13 113.19 -9 -7 -14 117.82 41.66 5 9 -21 2169.62 147.10 -5 9 21 2064.34 102.71 5 9 21 2120.77 124.84 -9 7 -14 107.38 66.12 2 3 33 31.27 28.38 9 7 -14 51.24 64.57 -12 -1 0 142.10 67.35 -2 3 33 8.63 31.75 -7 4 -26 2329.10 149.79 3 7 28 244.00 100.45 3 7 -28 241.60 67.03 3 -7 -28 273.85 86.70 7 -4 -26 2150.76 127.17 -3 -7 28 186.14 58.60 -7 4 -26 2267.34 130.12 7 4 -26 2496.96 160.58 7 4 26 2307.68 114.17 -3 -7 -28 331.55 71.12 -11 -2 13 2651.30 176.17 2 -12 14 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7 -8 -19 290.28 41.49 7 8 -19 363.60 89.89 -9 -8 -10 460.41 62.33 -4 -12 10 4704.91 237.18 4 12 10 5052.47 335.77 4 12 -10 5017.39 264.43 -9 -8 10 482.05 191.46 12 1 -2 62.56 47.46 12 -1 -2 120.56 55.17 12 1 2 55.63 38.48 -12 -1 2 3.47 25.35 -12 -1 -2 14.65 27.01 -8 -10 -1 895.62 100.56 -2 -8 2710607.18 207.68 8 10 1 847.77 105.12 2 8 27 9543.86 407.19 -8 -10 1 826.49 85.92 8 10 -1 778.51 124.02 2 -8 -27 9364.74 425.95 8 10 -1 827.64 97.73 -8 10 -1 789.28 152.11 8 10 1 711.54 122.83 -8 10 1 710.73 158.52 -2 -8 -27 9189.93 430.69 -2 8 27 9695.25 406.50 -3 -9 -24 4763.52 239.94 3 9 -24 4432.09 249.80 3 -9 -24 4923.97 235.51 -3 9 -24 4432.43 275.70 3 9 24 4895.05 247.08 -9 5 -19 1537.81 96.96 1 12 -15 143.08 62.24 -9 -5 19 1476.28 108.77 -9 -5 -19 1539.97 82.60 9 -5 -19 1585.43 124.40 -1 12 15 155.46 44.28 -9 5 -19 1379.99 151.31 9 5 19 1403.66 114.80 9 5 -19 1475.28 151.07 -1 -12 15 48.71 28.12 -1 -12 -15 196.44 65.68 -9 -5 -19 1456.06 128.27 1 12 15 111.61 44.76 1 -12 15 123.70 79.10 1 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142.59 -9 5 -26 44.60 32.52 -5 14 0 51.35 41.26 -1 15 -2 324.56 95.54 9 5 26 107.45 41.76 -1 14 -14 121.63 84.97 1 14 14 57.72 43.28 1 -15 2 176.31 80.33 -1 -14 -14 59.50 64.38 1 15 2 299.86 135.41 -1 14 14 131.00 50.93 -5 -14 1 158.25 51.91 -10 -10 5 605.02 113.14 2 2 -38 320.17 186.32 5 14 -1 203.71 109.17 5 -14 1 193.27 56.01 2 -2 -38 369.92 97.74 5 -14 -1 173.33 59.49 -12 7 2 189.98 45.90 0 -10 -29 588.37 79.95 -12 7 -2 153.59 84.54 -5 -14 -1 157.72 53.88 -12 -7 2 144.25 51.61 12 7 -2 263.14 80.42 -7 -10 -21 35.26 34.57 5 14 1 235.58 67.78 0 10 29 596.25 87.04 -5 14 -1 150.59 80.79 -5 14 1 242.19 80.01 -2 -2 -38 357.54 53.70 5 14 1 224.69 136.57 7 10 -21 34.30 58.11 2 2 -38 301.69 106.19 0 -10 29 478.63 70.74 -12 -7 -2 171.01 54.78 -10 10 -5 755.82 78.54 -10 -10 -5 733.06 71.98 -7 -10 21 32.26 30.04 12 7 2 262.44 69.07 -7 10 -21 -5.61 33.75 7 10 21 25.41 41.13 -10 10 5 769.10 167.19 -6 -12 -16 199.99 130.54 -6 -12 16 126.54 51.25 6 -12 16 199.21 56.53 0 3 -38 11.47 19.61 0 3 -38 42.65 33.02 0 -3 -38 13.04 30.25 6 12 16 190.24 70.44 0 3 38 15.87 24.20 -6 12 -16 256.12 62.93 -9 -3 -28 272.44 83.77 -9 3 -28 273.18 69.95 -9 3 -28 258.18 73.38 9 3 28 296.80 49.63 9 -3 -28 343.00 78.50 -13 -2 10 89.71 54.50 12 1 -18 1261.65 137.19 -12 -1 -18 1395.33 195.58 -13 -2 -10 74.37 49.53 13 2 -10 120.04 120.23 -13 2 -10 131.54 55.16 -13 2 10 121.49 51.37 12 -1 -18 1408.73 155.49 -1 9 -31 1140.19 138.62 1 9 31 966.15 96.49 -12 -4 15 191.62 80.16 -12 -4 -15 212.18 78.15 -12 4 -15 187.72 47.05 -1 -9 -31 1168.42 117.30 1 -9 31 1079.50 100.79 12 4 -15 147.79 73.47 -1 -9 31 1107.93 108.63 12 4 15 329.64 59.36 -6 9 -26 491.78 92.04 -4 13 -16 269.67 111.39 -13 -1 -11 1466.48 138.49 -6 -9 -26 588.76 77.98 -13 1 -11 1485.49 154.82 6 9 26 594.64 70.43 -6 9 26 530.45 108.89 -13 1 11 1554.80 136.12 13 1 -11 1427.72 148.89 4 -13 16 294.12 57.16 -6 9 -26 465.52 74.40 6 9 -26 470.45 339.87 4 13 -16 159.83 67.20 5 -14 2 1898.22 149.12 -6 -9 26 680.49 158.07 -4 1 -37 361.11 64.08 -4 -13 -16 263.99 93.28 -13 -1 11 1467.96 128.65 4 13 16 319.88 54.13 5 14 2 1982.85 187.29 4 1 -37 315.01 63.96 5 14 -2 2004.94 177.54 -4 -1 -37 376.49 78.64 5 -14 -2 2013.59 155.35 -5 -14 2 1845.15 153.20 -4 -13 16 264.93 54.03 4 1 37 282.76 54.70 4 -13 -16 271.35 51.32 -5 -14 -2 1882.11 154.65 -5 14 2 1731.15 159.31 4 -1 -37 262.68 61.88 -5 14 -2 1846.69 187.32 5 -1 -36 627.20 83.35 0 -15 -4 39.69 39.24 -5 1 -36 573.85 70.87 0 15 4 52.11 53.56 0 15 -4 38.22 36.77 5 1 -36 686.79 195.44 0 -15 4 1.77 32.56 5 1 36 600.77 53.55 11 7 -14 95.06 69.91 -11 7 -14 39.60 42.58 11 7 14 94.76 48.81 -11 -7 14 29.68 29.76 -11 -7 -14 48.85 44.39 2 4 37 4638.17 246.33 -4 -11 -24 1.32 36.62 -1 15 3 4495.06 300.81 4 -11 24 22.41 38.63 -1 15 -3 4338.87 269.43 1 15 -3 4664.04 287.09 -4 11 24 0.99 15.67 -2 -4 -37 3850.95 239.39 -4 -9 29 26.60 40.56 4 9 -29 43.31 46.76 -12 7 3 8.34 16.83 -4 9 29 24.30 45.04 4 9 -29 51.82 51.53 4 9 29 -5.40 28.30 -12 -7 3 33.67 46.14 -4 9 -29 61.06 44.51 4 11 24 47.99 43.85 1 15 3 4477.94 269.94 -12 7 -3 23.31 27.36 12 7 3 37.85 41.33 -4 -9 -29 46.94 44.97 1 -15 3 4498.17 249.57 2 -4 -37 4229.28 232.61 4 -9 29 68.41 50.68 2 4 -37 4497.85 258.04 -12 -7 -3 56.52 44.87 4 -11 -24 4.10 37.17 -1 -15 3 4539.64 254.52 4 11 -24 92.89 43.23 2 4 -37 4231.00 248.87 -1 -15 -3 4433.80 247.53 -2 4 -37 4177.53 255.61 -4 11 -24 21.98 46.03 1 -15 -3 4759.14 253.60 -4 -11 24 22.98 24.12 9 1 -29 3101.05 226.69 -8 10 -18 3215.96 303.43 -7 7 -28 475.62 79.67 -7 7 -28 400.20 151.01 -8 -10 -18 3224.04 198.58 -8 10 -18 3424.66 224.86 -9 1 -29 3110.77 202.51 -7 -7 -28 463.04 65.60 7 -7 -28 380.14 64.79 7 7 28 435.52 64.11 -9 1 -29 3289.33 196.49 -8 -10 -18 3282.01 206.86 8 10 18 3136.45 210.59 7 7 -28 391.91 109.51 -8 -10 18 2859.42 236.97 -12 -5 13 2705.79 183.71 12 5 13 2800.66 190.02 6 -3 -34 76.86 53.89 6 3 -34 75.92 63.07 -6 3 -34 67.68 49.39 -12 -5 -13 2588.10 187.12 6 3 34 150.36 45.65 -6 -3 -34 29.06 32.93 -12 5 -13 2547.95 166.44 13 4 -5 229.67 70.25 13 4 5 233.67 78.67 -4 -14 9 2277.57 167.35 4 14 9 2588.91 180.77 -13 -4 5 163.94 46.00 8 2 -31 1717.93 153.95 -4 14 9 2175.17 215.71 4 -14 9 2283.85 168.27 -4 14 -9 2351.80 189.21 4 14 -9 2156.43 177.70 -13 -4 -5 125.38 93.77 -4 -14 -9 2487.70 179.26 -13 4 -5 175.02 66.63 -13 4 5 170.55 46.56 -8 -2 -31 1570.20 128.23 4 14 9 2499.32 221.17 -10 5 -23 2174.87 165.55 -3 -9 -30 1619.81 136.57 10 5 23 2023.58 145.86 -3 9 -30 1416.68 141.87 3 -9 30 1241.61 106.90 3 -9 -30 1236.48 105.06 -2 -11 26 144.21 54.40 2 -11 -26 141.56 83.29 -10 -5 -23 1673.54 152.65 2 11 -26 148.98 100.38 2 -11 26 146.81 53.85 3 9 -30 935.64 103.30 -10 -5 -23 2056.68 144.91 -2 -11 -26 184.50 56.80 10 5 -23 1962.31 181.34 -10 5 -23 2007.17 142.04 2 11 26 119.22 60.84 10 -5 -23 1947.93 148.76 -2 11 -26 180.61 85.72 3 9 30 1177.86 104.54 11 8 -10 116.00 61.06 11 8 10 196.56 62.35 -11 -8 10 57.81 47.08 -11 8 -10 86.69 42.94 -11 -8 -10 70.28 64.21 -1 -10 -29 146.43 56.40 5 -14 -3 329.67 63.21 -9 11 -7 1597.81 140.08 1 -10 29 74.38 60.56 -5 -14 3 389.64 203.68 5 -14 3 303.28 50.83 -3 -12 -22 11.46 30.71 5 14 3 499.89 88.77 1 10 29 86.99 51.62 -1 -10 29 7.51 28.63 1 -10 -29 42.18 43.30 -3 -12 22 26.40 26.96 3 -12 22 63.37 45.24 -5 14 3 340.32 142.01 -9 11 7 1519.96 136.15 5 14 -3 456.67 88.51 9 11 7 1715.86 156.06 -3 12 22 40.95 55.93 3 12 22 61.44 47.42 -9 -11 7 1645.81 129.11 1 10 -29 58.64 47.13 5 14 3 313.54 120.93 3 -12 -22 97.83 50.10 -5 -14 -3 415.36 69.56 -5 14 -3 281.62 196.69 -9 -11 -7 1605.58 123.95 -1 10 29 68.85 42.03 5 14 -3 352.31 70.84 -8 -12 -6 99.76 75.39 -7 -9 24 654.96 72.91 1 3 38 2877.26 184.11 7 9 24 798.10 93.08 -8 -12 6 15.14 32.53 7 -9 -24 448.06 60.73 1 -3 -38 2534.22 167.28 -8 -12 -6 13.44 24.46 8 12 6 221.14 103.54 -8 12 -6 10.00 13.78 -7 9 -24 581.19 174.11 -7 -9 -24 560.67 69.68 -7 9 -24 613.28 80.28 7 9 -24 696.98 101.89 6 -13 10 27.61 43.50 0 8 -33 2825.42 201.17 -6 -13 10 76.68 48.28 -12 -6 -10 80.73 42.11 2 7 -34 113.31 43.96 12 6 -10 176.51 75.55 0 -8 -33 2880.20 198.79 -2 13 19 257.25 90.31 2 7 34 127.67 48.12 2 -7 -34 144.31 47.10 -12 6 -10 139.89 55.89 -12 -6 10 38.91 35.52 2 -13 -19 250.41 64.39 -2 7 -34 157.67 55.50 -2 -13 -19 364.15 97.45 -2 -7 -34 225.39 77.52 12 6 10 189.59 68.65 -6 -13 -10 41.32 33.78 -12 6 10 46.78 53.95 -2 -13 19 235.62 54.71 -2 13 -19 233.11 170.58 0 8 33 3208.20 198.67 -6 -13 -10 68.83 42.71 6 13 10 67.28 47.43 -2 7 34 121.60 90.52 2 -13 19 246.71 62.74 -6 13 10 12.58 26.10 6 13 -10 25.78 29.03 2 13 -19 210.86 62.05 2 13 19 313.07 63.27 -6 13 -10 0.84 17.03 11 5 -19 23.96 34.94 11 -5 -19 25.71 26.89 -11 -5 19 40.89 34.71 -11 -5 -19 8.69 19.36 -11 5 -19 26.54 32.11 11 5 19 28.48 31.66 -1 15 -4 197.75 82.49 1 -15 -4 109.45 73.25 -9 -7 23 98.25 82.65 -10 10 -6 307.60 101.11 11 6 17 246.09 65.42 -10 -10 -6 304.77 140.52 11 6 -17 267.67 75.58 -9 -7 -23 113.47 61.18 -11 -6 17 148.18 49.75 -11 6 -17 163.37 56.51 -11 -6 -17 188.14 113.14 -9 7 -23 148.09 83.21 -1 15 4 167.53 66.41 1 -15 4 14.85 47.40 -1 -15 -4 82.67 53.59 -1 -15 4 50.65 62.06 1 15 4 192.35 71.84 -10 10 6 321.21 143.12 -9 7 -23 153.41 48.84 9 7 23 198.96 61.50 1 15 -4 162.44 93.03 10 10 -6 490.70 174.54 9 -7 -23 98.92 44.53 -10 -10 6 325.89 63.34 7 2 -33 919.51 115.76 7 -2 -33 1030.20 113.64 -7 2 -33 1016.51 100.44 -7 -2 -33 1159.80 112.24 -12 -7 4 833.00 89.71 7 2 33 1109.66 86.39 -12 -7 -4 950.40 138.57 -12 7 -4 905.29 87.74 12 7 4 907.46 123.34 -12 7 4 781.09 82.43 -2 12 -23 3673.48 283.20 -3 -14 -12 284.91 47.76 0 -15 -5 35.65 44.44 0 -15 5 13.64 32.40 4 8 -31 4039.16 329.32 2 12 23 3744.22 222.91 -3 14 -12 334.32 81.28 -4 8 -31 3817.50 259.43 -4 -8 -31 4239.28 273.39 -4 8 31 4150.45 243.60 3 14 -12 314.56 99.42 3 14 12 280.29 60.81 3 -14 12 300.79 66.99 -3 14 12 276.59 147.48 4 -8 31 4471.99 256.24 4 8 31 4178.71 255.45 2 -12 -23 3847.78 249.54 -3 -14 12 366.10 82.16 2 -12 23 3910.76 234.43 0 15 -5 72.20 63.43 -2 -12 -23 3771.36 265.99 -2 -12 23 3854.32 232.25 4 8 -31 3725.00 253.00 0 15 5 3.83 33.16 -11 0 -23 42.49 37.40 3 -13 -18 74.23 34.00 3 13 -18 12.72 26.17 3 -13 18 49.61 47.30 -3 13 -18 47.98 79.34 -3 -13 18 18.83 39.06 3 13 18 98.53 45.57 -3 13 18 46.96 31.08 -3 -13 -18 55.52 49.21 3 0 -38 116.59 50.31 3 0 38 95.38 42.30 3 0 -38 93.61 32.81 -3 0 -38 93.97 50.92 6 7 30 1201.25 96.56 -10 2 -26 50.46 31.06 -10 2 -26 16.77 26.19 -6 7 -30 1197.78 112.02 6 -7 -30 1208.77 102.73 -6 -7 -30 1316.70 122.15 -10 -2 -26 107.13 43.48 10 -2 -26 29.54 34.51 -6 7 -30 1159.21 114.13 6 7 -30 1023.23 177.85 -10 -2 -26 64.44 34.67 10 2 -26 88.27 70.87 5 -14 -4 18.64 26.86 -5 12 -19 115.96 62.81 5 -12 19 101.34 37.96 -5 -14 4 62.42 50.76 -5 14 4 58.73 47.65 -5 -12 -19 136.96 65.20 -5 14 -4 -2.75 27.07 -5 -12 19 96.03 61.77 -5 -14 -4 50.84 48.56 5 14 4 17.68 29.49 5 12 -19 223.34 58.99 5 -14 4 15.53 28.91 5 14 4 19.34 20.78 5 14 -4 45.53 41.20 5 12 19 123.26 57.30 -5 -13 14 49.33 40.59 5 -13 14 35.37 47.87 -7 -13 0 56.16 37.83 7 13 0 69.40 45.13 -5 13 14 82.52 38.90 -5 -13 -14 67.66 58.13 5 13 -14 30.55 49.42 -13 -3 9 305.02 118.31 -13 -3 -9 327.30 162.08 7 -13 0 25.59 25.48 -7 13 0 46.52 43.18 -5 13 -14 31.45 35.17 -13 3 9 336.55 58.49 13 3 -9 409.01 95.73 13 3 9 398.42 61.72 5 13 -14 59.31 37.02 -9 10 -14 278.74 77.58 5 13 14 32.54 28.15 -5 -13 -14 64.09 29.87 -9 -10 14 172.69 42.16 -9 -10 -14 356.71 60.73 -9 -10 -14 259.46 165.16 -9 10 -14 248.28 110.52 9 10 14 334.09 73.19 7 13 0 28.55 34.17 3 10 -28 294.64 125.87 -3 10 -28 482.64 76.60 -3 -10 28 488.32 72.86 -3 10 28 480.24 62.48 3 10 28 518.28 65.25 -8 11 -14 142.51 42.10 3 -10 -28 337.73 144.24 -8 -11 -14 45.61 57.35 -8 -11 -14 143.64 51.42 0 -13 20 50.61 44.05 0 -13 -20 28.07 42.74 0 13 -20 82.92 48.55 -3 -10 -28 375.32 63.96 -8 11 -14 124.53 134.74 0 13 20 33.80 34.01 8 11 14 162.65 85.75 3 -10 28 448.06 59.26 -8 -11 14 45.94 48.13 -13 4 6 1479.81 114.16 -7 13 -1 143.34 43.54 7 -13 -1 121.90 32.69 7 13 1 119.41 82.12 -13 4 -6 1442.91 118.62 13 4 6 1496.75 141.14 -13 -4 -6 1401.52 97.39 -7 13 1 84.14 92.46 7 -13 1 99.91 40.85 7 13 -1 144.07 60.89 -7 -13 -1 111.51 73.25 7 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70.06 -8 7 -26 1067.17 171.02 8 7 26 1021.08 92.65 -7 -12 -13 15.08 21.20 -8 7 -26 931.52 99.67 -13 0 12 2786.01 182.99 13 0 -12 2532.48 199.04 -8 -7 -26 921.49 90.33 -7 -12 13 49.24 51.69 -7 -12 -13 88.92 54.61 -13 0 -12 2508.94 170.37 -7 12 -13 87.08 64.50 -11 -1 -23 272.20 50.41 7 12 13 154.33 51.73 8 -7 -26 1038.33 97.38 -11 1 -23 212.29 56.07 8 7 -26 1047.44 131.50 -2 15 0 643.22 196.09 0 14 15 1753.06 129.65 0 -14 -15 1764.04 147.14 -12 3 -17 68.40 45.31 7 -13 -2 1666.12 113.84 -2 -15 0 840.61 84.80 2 15 0 911.24 111.64 12 -3 -17 6.30 27.12 -7 13 -2 1697.54 143.45 -7 -13 -2 1837.12 153.71 -12 -3 -17 55.99 33.10 -11 -9 0 35.03 37.51 0 -14 15 1801.55 144.47 11 9 0 87.43 63.30 -11 9 0 6.65 19.07 -12 -3 17 -1.60 22.01 7 -13 2 1844.98 131.63 12 3 -17 17.70 44.20 2 -15 0 834.51 90.52 -7 -13 2 1965.17 149.42 12 3 17 79.37 44.04 12 7 5 382.53 79.69 2 -15 -1 87.94 42.26 -2 -15 1 107.36 49.00 -1 -15 -5 1409.97 108.96 -12 -7 5 386.80 81.10 -12 7 -5 327.17 118.79 -12 -7 -5 315.16 142.54 -1 15 -5 1293.71 146.68 9 6 -25 1645.85 204.07 -2 15 -1 38.32 66.62 -12 7 5 406.37 62.48 1 -15 5 1417.20 110.20 1 -15 -5 1413.22 112.12 1 15 -5 1377.21 134.42 2 -15 1 94.59 52.35 -9 6 -25 1413.43 102.98 9 -6 -25 1337.65 116.46 -1 15 5 1290.41 169.66 -2 -15 -1 119.96 49.64 9 6 25 1604.49 131.44 -1 -15 5 1525.20 126.02 -2 15 1 43.02 57.84 2 15 1 57.80 63.42 2 15 -1 68.89 81.03 -9 6 -25 1337.99 116.27 5 9 28 327.82 73.42 5 -9 28 224.42 60.25 -5 -9 -28 142.07 68.13 -11 9 -1 299.95 48.58 -5 -9 28 187.01 74.93 -11 -9 -1 356.51 58.31 5 9 -28 159.54 121.38 -11 -9 1 318.83 61.86 5 9 -28 109.80 92.40 11 9 -1 312.00 96.66 -5 9 -28 181.78 75.93 -11 9 1 252.96 42.24 -8 -12 -7 229.11 146.64 -12 -2 18 35.33 37.35 4 6 -34 18.25 40.46 6 -1 -35 1519.32 139.81 8 12 -7 200.71 49.86 -12 -2 -18 204.14 51.76 -8 -12 7 228.78 87.10 -8 12 -7 119.16 66.29 -8 -12 -7 172.39 66.99 6 1 -35 1348.95 139.81 12 -2 -18 118.18 71.08 8 12 -7 221.96 73.94 -7 -11 18 140.95 54.22 4 6 34 168.50 57.91 -12 2 -18 154.85 57.06 8 12 7 277.63 72.34 -7 11 -18 174.60 94.78 12 2 -18 128.54 85.32 -4 6 -34 85.91 76.47 -9 -8 21 933.23 88.98 -5 -5 -34 1173.12 120.62 -4 12 21 827.01 76.42 9 8 -21 1095.38 137.67 5 5 34 1185.73 98.29 4 -12 -21 833.89 81.37 -4 -12 21 723.04 79.00 -9 -8 -21 1161.07 90.80 5 5 -34 914.66 114.36 5 -5 -34 1060.35 136.53 9 8 21 1126.22 109.27 -4 12 -21 724.62 185.98 4 12 21 756.56 106.62 -9 8 -21 1087.79 105.50 -9 -8 -21 1010.70 95.65 -4 -12 -21 768.01 211.99 4 12 -21 863.64 106.81 -9 8 -21 979.70 190.94 4 -12 21 883.79 103.04 0 15 -6 19.93 29.34 -13 2 11 2487.49 165.71 4 2 -37 3437.30 241.46 9 11 -8 212.43 72.37 13 -2 -11 2398.09 296.24 -9 11 8 183.36 117.84 5 2 36 363.45 109.23 -4 2 -37 3519.18 237.44 -7 5 -31 1361.40 163.34 4 2 37 3855.43 226.93 0 -15 -6 16.28 28.38 7 5 31 1406.47 89.44 -9 -11 8 177.46 112.32 -7 -5 -31 1292.42 116.49 5 2 -36 254.16 140.80 -13 -2 11 2514.75 185.56 5 -2 -36 348.37 138.88 -9 11 -8 121.46 103.37 0 -15 6 24.16 41.59 -4 -2 -37 3439.59 240.11 0 15 6 6.74 35.04 7 -5 -31 1135.61 115.82 -7 5 -31 1238.79 132.99 7 5 -31 1250.43 157.13 13 2 -11 2419.12 202.60 -13 2 -11 2494.89 165.84 -2 15 2 30.36 38.53 -2 15 -2 75.82 51.62 -10 -10 -7 48.75 36.87 -10 10 -7 2.86 29.01 -2 -15 -2 55.57 34.38 -2 14 14 839.90 161.74 -10 10 7 40.85 45.46 10 10 7 63.86 54.37 2 15 2 158.26 67.11 2 14 -14 729.66 109.04 2 -15 2 105.41 56.27 -10 -10 7 58.97 35.24 2 -15 -2 98.79 43.02 -2 -15 2 83.46 53.10 -2 -14 -14 735.78 194.40 2 -14 14 675.42 96.20 2 15 -2 167.28 71.23 -2 14 -14 739.11 114.56 -2 -14 14 686.11 95.96 11 9 2 316.92 77.74 5 14 5 78.97 55.68 -5 14 5 3.13 25.19 -1 13 -20 3072.70 239.31 1 13 -20 3271.17 237.89 1 13 20 3038.21 189.12 -1 13 20 3084.48 193.44 -11 9 -2 376.74 57.02 -11 -9 -2 583.05 66.17 5 -14 -5 29.76 44.31 -11 -9 2 427.24 64.79 5 14 5 26.87 54.83 0 1 -39 25.03 44.43 0 -1 -39 61.51 44.39 -11 9 2 368.60 52.39 -5 14 -5 37.22 48.07 -5 -14 5 38.59 39.58 -5 -14 -5 63.96 40.58 -1 -13 20 3185.28 207.30 0 1 -39 36.26 29.30 11 9 -2 466.96 100.14 1 -13 -20 3385.39 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244.48 70.13 2 13 30 172.24 50.80 5 13 27 44.97 41.13 8 -11 27 1470.80 220.91 11 5 -30 103.19 56.83 11 9 23 230.94 70.43 -8 11 -27 1558.01 168.35 -8 -11 -27 1419.52 190.28 11 -5 -30 141.05 69.60 -5 0 -43 56.94 48.87 -11 5 -30 45.78 38.08 -11 -5 -30 21.96 28.50 6 6 -39 37.75 45.19 2 -16 18 2368.19 222.73 6 6 39 105.07 66.06 -8 -11 27 1607.77 162.15 8 11 -27 1554.31 185.87 -6 -6 -39 59.70 47.49 -11 -9 23 122.96 59.96 -2 -16 18 1916.92 195.28 2 16 18 1925.48 173.38 2 -16 -18 2002.87 235.64 -2 -16 -18 1976.98 196.26 -6 6 -39 72.06 55.21 5 0 -43 27.53 41.81 -2 16 -18 2073.46 223.55 8 11 27 1627.80 159.03 6 -6 -39 74.38 52.41 -11 9 -23 126.06 59.35 2 16 -18 1764.34 218.12 14 5 -17 1234.09 174.48 -6 -16 -8 1891.70 209.82 -14 -5 17 1231.62 150.91 -14 5 -17 1371.27 150.02 -6 -16 8 1847.74 254.84 -14 -5 -17 1309.79 138.32 6 -16 8 1918.26 191.02 -6 -16 -8 1977.39 197.72 -11 4 -31 499.36 111.93 11 -4 -31 448.10 84.17 -4 -14 -25 61.52 46.95 -4 14 -25 44.90 54.34 4 14 -25 59.57 59.12 4 -17 3 93.59 38.55 4 -14 25 6.12 29.10 -11 -4 -31 534.02 87.77 -11 4 -31 575.15 79.45 -3 9 -38 521.93 99.47 -4 17 -3 76.74 71.74 -10 -10 24 560.93 105.45 3 9 -38 423.45 157.14 11 4 -31 325.97 270.54 -4 -17 3 70.33 31.20 -3 -9 -38 537.98 168.81 -4 17 3 134.31 59.73 -10 -10 -24 712.40 90.64 -10 10 -24 604.99 148.41 4 14 25 40.28 45.08 4 -17 -3 108.67 46.62 -4 -14 25 91.24 49.60 10 10 -24 617.66 125.86 10 10 24 715.33 98.79 4 17 3 29.62 47.05 -4 -17 -3 127.80 48.16 3 9 38 452.79 135.98 4 17 -3 168.78 62.35 -4 7 -40 133.46 57.59 -4 -7 -40 92.65 75.56 -13 0 -26 1527.77 170.74 4 7 40 101.08 50.62 -4 7 40 119.00 99.75 13 0 -26 1641.53 173.65 -9 -12 -21 838.76 108.60 -9 -12 21 668.04 99.88 -9 12 -21 535.41 282.41 5 -15 19 751.87 97.43 -9 -6 -34 2205.81 210.24 -6 9 -35 92.76 58.11 -9 6 -34 2476.08 243.16 5 15 19 866.21 111.06 -5 -15 19 959.94 118.08 -5 -15 -19 960.88 129.08 6 -9 -35 44.71 39.76 -9 12 -21 566.85 167.23 6 9 -35 69.94 70.74 9 -6 -34 2042.02 200.54 9 6 -34 2349.31 246.10 -5 15 -19 662.84 171.77 5 15 -19 726.73 107.02 -6 -9 -35 39.49 52.81 9 6 34 2356.56 210.63 9 12 -21 914.10 124.11 6 9 35 34.81 37.31 -10 -13 11 32.81 37.60 -10 13 -11 0.17 28.43 -6 11 31 274.21 125.44 6 11 31 344.45 76.21 -10 -13 -11 33.60 28.80 6 -11 31 420.99 85.80 -6 11 -31 356.68 186.97 10 13 -11 146.39 81.44 -9 2 -37 72.78 37.98 9 2 -37 142.58 99.23 -6 -11 -31 655.50 118.45 9 -2 -37 90.43 49.85 -9 -2 -37 7.64 41.42 -8 -6 -36 453.37 87.91 -8 -5 -37 547.26 92.82 8 5 37 587.30 66.86 -2 -8 -40 33.04 45.91 2 -8 -40 32.39 32.88 8 -6 -36 288.98 134.09 2 8 -40 -6.41 25.34 8 -5 -37 574.60 83.88 8 6 36 451.18 74.00 0 -16 19 5.07 30.10 -13 -10 -4 232.75 79.27 8 6 -36 369.58 102.08 -8 5 -37 628.47 163.49 8 5 -37 557.81 236.23 -13 10 4 94.01 123.74 -2 8 -40 129.34 63.91 -13 -10 4 169.39 72.27 2 8 40 28.92 40.58 -13 10 -4 150.39 90.31 0 16 -19 3.22 33.03 0 -16 -19 37.46 41.43 -8 6 -36 577.97 100.87 -6 0 -42 1769.35 182.78 -12 -11 9 2056.19 200.19 2 0 -45 153.83 70.05 -2 0 -45 29.56 35.12 6 0 -42 2040.16 214.80 12 11 9 1883.30 204.83 0 9 -39 55.03 46.67 0 9 39 -9.51 23.66 -12 11 -9 1954.44 256.80 -12 -11 -9 1944.47 186.40 0 -9 -39 22.87 41.78 3 -16 -17 113.09 48.20 -10 -11 -21 176.28 54.03 -3 -16 -17 83.17 68.88 -5 12 30 179.93 124.11 15 2 -14 163.73 105.48 5 12 30 241.12 61.58 14 3 -20 253.99 263.98 10 11 21 306.35 85.33 10 11 -21 367.48 92.02 3 -16 17 27.37 43.52 -10 -11 21 271.72 61.97 -10 11 -21 183.51 97.54 -13 -6 -21 672.79 142.40 -14 -3 -20 449.59 76.49 -15 2 -14 116.54 41.11 -15 -2 14 81.84 44.84 -3 -16 17 0.42 35.54 -14 3 -20 278.66 167.48 -5 -12 -30 333.26 72.38 -5 12 -30 185.97 66.29 3 16 17 75.01 41.29 5 -12 30 301.82 74.79 -5 -12 30 197.30 71.97 3 16 -17 58.27 49.60 -3 16 -17 8.25 52.45 -15 -2 -14 89.71 78.93 0 -17 12 21.51 32.35 -14 8 6 15.15 51.67 -13 -9 12 162.04 69.84 0 17 -12 49.11 44.01 -10 12 -17 730.29 202.56 13 9 -12 309.02 128.01 -13 -9 -12 157.39 115.46 0 17 12 5.77 31.59 -9 -14 -10 56.83 40.86 -13 -8 -16 237.56 155.38 7 14 19 256.50 68.91 -14 -8 6 95.88 52.92 -14 -8 -6 60.58 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36.37 3 8 -41 105.58 75.09 -11 -10 23 1.69 24.57 -16 -2 8 153.50 56.51 1 -11 -37 863.86 140.14 -5 -14 26 141.02 61.42 -16 2 8 65.79 41.87 5 14 -26 155.72 66.66 2 -18 0 196.19 65.40 -2 -18 0 197.07 56.24 -7 15 -17 803.59 147.84 14 7 16 60.76 54.98 0 -12 -35 945.69 154.70 -14 -7 -16 52.67 42.50 -1 -18 -5 234.73 40.54 -14 -7 16 88.94 50.65 0 16 22 1454.21 149.41 -13 11 0 34.74 36.93 2 -18 1 912.04 285.69 9 13 -20 553.46 141.32 -2 -18 -1 1038.52 128.23 3 10 -38 246.39 63.14 -9 -13 -20 465.36 102.64 2 -18 -1 1074.97 129.54 12 -4 -30 174.96 67.93 -12 4 -30 177.28 73.46 -13 11 -1 132.36 107.53 -8 -15 -13 481.59 115.32 12 -5 -29 311.88 97.89 8 14 -19 601.22 131.18 8 15 -13 501.31 119.68 -8 14 -19 322.00 229.37 -12 5 -29 113.73 50.74 14 -1 -24 942.39 174.49 -13 11 1 139.06 85.64 6 -10 35 238.10 83.99 -14 -1 -24 858.80 135.49 6 -10 -35 143.19 55.08 -5 12 32 101.11 61.32 -7 14 -22 50.14 92.26 4 2 -45 1987.86 224.74 1 -7 -43 780.58 216.81 -7 -14 22 61.77 87.91 -11 -4 -33 256.47 55.93 -11 4 -33 132.83 153.33 1 7 -43 718.03 137.45 5 -12 32 108.41 53.98 1 6 -44 20.43 38.59 5 17 8 536.67 120.06 2 -18 2 33.04 47.17 -5 17 -8 472.37 194.37 1 -6 -44 81.21 48.65 -5 -17 -8 350.75 221.69 2 -18 -2 12.48 37.46 0 -10 -39 80.40 40.40 3 -12 34 74.43 38.96 -3 12 34 38.19 48.62 3 12 -34 74.00 48.15 -6 15 -20 151.85 66.39 1 -3 -46 193.08 54.91 1 3 -46 260.23 60.96 -13 11 2 195.01 106.28 6 15 -20 135.49 52.57 3 17 14 35.98 38.13 1 3 46 159.36 85.09 16 3 -6 412.95 115.43 -13 11 -2 137.73 100.52 -6 11 33 567.13 137.24 -16 3 6 384.59 103.89 6 -11 33 764.30 130.44 -15 7 5 65.57 40.72 -10 0 -37 50.52 52.47 15 7 5 96.40 50.04 6 16 -14 1675.10 196.31 -6 16 -14 1719.72 202.92 15 2 -18 48.39 43.64 11 6 31 302.23 87.48 -11 6 -31 273.60 118.18 -11 -6 -31 139.15 116.00 11 -6 -31 166.07 67.18 4 16 19 211.41 152.83 -9 -15 -6 40.62 40.40 14 -3 -23 125.67 67.19 13 7 22 337.57 100.10 -13 -7 -22 257.64 50.99 1 -12 -35 115.22 45.16 -14 -3 -23 134.59 72.76 4 -16 -19 343.76 114.49 2 -18 -3 250.84 78.11 0 -8 -42 28.17 28.01 -2 -18 -3 280.94 66.30 1 16 22 30.46 34.24 -16 0 10 17.25 21.46 5 16 17 17.68 35.40 4 17 12 24.66 24.30 -11 -11 20 -1.99 23.39 -4 17 12 3.93 23.18 -13 11 3 163.47 89.72 -13 11 -3 196.98 119.51 13 -2 -28 25.99 34.74 3 -15 -25 1392.17 151.78 -14 -4 -22 113.09 42.63 3 0 -46 101.75 48.77 9 12 -24 254.45 181.90 -9 -12 24 279.21 172.67 -1 -18 -6 18.71 18.06 -9 -12 -24 289.66 179.86 -9 12 -24 286.77 202.55 0 -5 -45 43.55 35.81 0 5 -45 8.99 23.59 10 13 -16 28.08 42.70 -10 -13 -16 52.21 37.48 1 -10 -39 36.59 30.31 -9 11 -27 508.97 115.53 -9 -11 27 212.07 164.02 -10 -1 -37 379.31 103.32 14 8 13 461.34 104.99 -10 1 -37 332.32 95.88 9 11 -27 506.26 143.65 7 8 -37 91.78 54.28 -13 -6 -24 906.88 218.97 -10 9 -29 275.58 102.21 -10 -11 24 17.00 24.89 -10 -11 -24 83.02 49.56 -10 -9 -29 245.57 98.55 10 11 -24 48.09 42.60 16 4 0 118.46 53.28 -16 1 10 320.00 122.06 -9 6 -36 74.08 50.03 -12 -9 22 406.75 112.59 2 -18 -4 113.33 46.99 -16 4 1 -4.55 24.10 -7 -13 26 1885.77 236.34 9 6 36 60.90 34.10 -7 -12 29 706.46 127.69 -16 -1 10 372.51 162.25 11 8 28 4.45 27.50 -11 -8 -28 33.14 41.33 15 6 11 75.50 44.74 -12 3 -31 106.62 79.20 -2 -18 -4 104.91 43.97 -15 -6 11 28.19 68.95 16 4 -1 99.67 57.05 16 4 1 4.38 18.41 -15 7 6 124.32 54.69 -16 -2 9 49.85 54.56 -9 5 -37 125.37 67.83 -16 2 9 21.90 24.44 -7 -16 -10 29.99 21.56 -7 16 -10 9.52 35.35 7 16 10 151.76 66.86 15 7 6 79.18 39.47 -13 11 -4 78.63 69.10 -13 11 4 77.71 64.99 15 0 -19 27.58 28.81 1 -8 -42 43.87 31.24 16 3 -7 59.01 43.71 -16 3 7 7.57 20.17 -6 -13 28 1199.04 142.39 -16 -3 7 2.85 30.95 -11 -12 -16 204.12 75.85 4 15 -24 81.71 50.46 12 -6 -28 396.46 106.84 -15 -5 14 4.04 27.48 -15 -4 16 1248.83 144.43 -12 -10 19 202.38 67.83 16 4 -2 22.03 24.93 -16 4 2 69.44 41.18 -14 -6 -19 507.88 112.00 16 4 2 158.94 54.95 -12 -10 -19 100.06 72.80 -14 -6 19 329.56 250.86 0 -14 30 113.58 57.50 6 9 -37 154.70 89.93 -2 15 26 95.68 45.70 2 -15 -26 78.79 44.16 2 15 26 124.92 58.73 1 5 -45 516.59 115.47 1 -5 -45 501.07 108.65 -5 17 9 44.89 91.52 5 17 9 54.45 41.93 -11 -9 -26 280.04 126.25 -5 -17 -9 83.59 38.74 -10 8 -31 1303.94 206.41 -10 -8 -31 1497.91 176.25 10 -8 -31 1107.77 129.38 -10 8 -31 1625.75 186.62 -12 -11 -15 107.34 42.34 14 -2 -24 200.60 62.26 -14 -2 -24 241.03 52.30 -11 3 -34 614.16 89.79 -13 -8 20 113.52 40.99 13 8 20 258.02 67.13 -13 -8 -20 75.20 84.60 -11 -3 -34 602.44 196.46 -16 4 3 96.66 44.05 15 1 -19 47.14 60.87 2 -11 -37 194.74 52.90 16 4 -3 70.15 44.35 -13 -9 17 30.32 31.64 -13 -9 -17 96.68 40.93 -2 -18 -5 1727.56 186.33 3 4 -45 84.02 47.79 3 4 45 15.02 15.63 8 6 38 348.32 139.69 -14 -5 -21 528.93 111.81 -8 12 -27 739.42 195.17 8 12 -27 1047.04 175.44 -8 -12 27 880.85 146.68 1 -14 -30 42.85 57.26 1 -14 30 -4.86 27.16 -1 -14 30 61.35 37.76 -1 14 30 22.11 34.21 5 6 -42 145.38 73.37 -10 -5 -35 754.88 137.26 -10 5 -35 999.39 134.84 2 -7 -43 53.88 31.26 2 7 -43 90.16 35.47 -10 -10 -27 127.83 57.19 2 6 -44 436.21 83.66 6 -17 0 92.36 47.91 -6 17 0 111.01 70.31 6 17 0 74.59 48.26 -6 12 31 930.82 229.81 8 10 -32 1207.71 227.42 8 5 39 383.84 96.67 8 -10 -32 1079.10 126.71 2 3 -46 63.15 69.40 -8 15 -14 74.44 54.67 2 3 -46 40.82 44.09 2 3 46 12.54 30.61 8 -10 32 1480.07 162.54 -8 -15 -14 94.36 60.24 0 -13 33 23.75 36.78 -16 0 11 68.76 41.73 6 -17 -1 84.37 42.87 15 7 7 202.63 54.30 0 0 -47 39.70 35.59 -15 7 7 26.49 39.77 6 -17 1 113.45 53.73 -6 17 1 129.81 55.12 6 17 1 152.42 66.67 5 7 -41 39.06 51.21 -6 17 -1 72.13 55.81 16 4 -4 88.63 41.68 -16 4 4 63.87 48.43 -10 6 -34 36.58 28.50 3 9 -40 121.36 141.93 -10 6 -34 71.73 53.31 -10 -6 -34 40.58 33.60 10 6 34 155.53 41.40 3 16 21 34.25 34.76 3 -16 -21 10.65 22.65 -10 -12 -21 223.55 60.12 -10 -12 21 157.21 52.60 9 7 35 113.37 46.39 -9 7 -35 29.48 35.22 4 -13 31 25.81 29.27 2 -12 -35 207.86 46.05 -11 -7 -30 1685.51 176.20 -4 -13 31 15.98 22.32 11 7 30 1899.34 194.22 11 -7 -30 1456.50 163.62 4 13 -31 22.88 25.54 -10 -2 -37 418.80 164.24 -10 2 -37 486.23 113.17 -4 13 31 7.50 20.43 -6 17 2 73.00 66.32 -6 17 -2 189.30 70.93 6 -17 -2 108.92 41.81 -11 0 -35 10.29 21.34 -16 3 8 413.01 108.76 6 17 2 127.94 53.64 6 -17 2 61.88 54.54 -4 -14 28 236.96 72.66 -3 -14 29 95.71 50.03 -3 14 29 36.92 23.76 3 -17 -15 605.76 130.31 2 16 22 1223.11 140.03 -14 -7 17 178.72 96.77 3 17 15 672.24 120.70 4 14 -28 342.67 110.51 14 7 17 164.54 63.44 13 -4 -27 90.79 40.36 6 6 -41 390.30 268.72 -10 -14 -10 189.69 55.85 -4 17 13 30.82 50.93 4 17 13 39.25 33.09 -7 15 -18 4.75 36.49 8 9 -34 73.94 63.49 6 16 -15 122.83 65.95 16 2 -10 78.18 45.69 8 -9 -34 67.08 44.76 -16 2 10 154.95 57.74 8 -9 34 133.89 48.98 -16 -2 10 67.21 75.29 -2 -18 -6 63.41 37.29 4 3 -45 30.87 33.51 0 1 -47 90.77 48.39 4 3 45 74.91 62.09 0 -1 -47 28.32 34.29 9 14 -16 1361.91 182.59 -9 -15 -8 218.67 56.66 9 15 -8 98.30 60.76 3 2 46 89.27 50.50 3 2 -46 80.76 50.28 -16 -1 11 225.03 118.08 -16 1 11 387.27 106.26 2 -10 -39 91.96 37.22 3 -13 32 76.20 52.21 -1 -13 33 65.26 44.38 -7 -16 -11 87.31 32.16 1 -13 -33 79.42 45.00 -3 -13 32 37.22 41.10 1 -13 33 61.65 42.44 -3 13 32 54.77 59.98 -10 4 -36 174.51 66.63 -8 13 -24 615.57 195.20 8 13 -24 736.03 137.16 1 0 -47 9.50 31.15 6 -17 3 50.32 42.18 6 17 3 112.80 55.23 -10 -4 -36 173.48 57.55 -1 0 -47 32.97 40.26 1 0 -47 75.43 42.38 7 10 -34 746.44 377.12 5 17 10 661.12 121.43 7 -10 -34 901.72 151.00 -5 17 10 633.88 139.52 7 -10 34 1005.66 115.11 8 -16 0 1049.62 122.28 6 7 -40 44.64 50.55 -11 -1 -35 586.39 120.91 -11 1 -35 617.89 110.99 8 -16 1 362.33 95.99 8 -16 -1 385.28 102.05 -13 0 -29 65.24 26.82 16 4 -5 101.00 46.96 3 -18 0 19.85 27.11 -16 4 5 86.93 40.13 0 15 27 3.57 23.90 -8 14 -20 79.55 78.78 8 14 -20 115.75 52.23 3 -18 1 315.34 90.90 2 8 -42 4.31 26.41 3 -18 -1 163.01 49.13 2 -8 -42 33.58 32.27 -9 13 -21 70.83 41.72 9 -9 -32 24.12 32.21 -9 9 -32 51.95 48.21 -9 9 -32 100.72 63.29 9 13 -21 82.36 65.86 8 -16 -2 103.76 38.23 8 16 -2 130.95 60.47 8 -16 2 144.26 56.52 8 16 2 168.74 76.88 13 -3 -28 308.45 94.65 -9 10 -30 933.12 167.93 5 15 -23 59.76 84.54 15 7 8 156.14 59.58 -5 -13 30 2401.71 241.30 3 -18 2 21.13 23.18 2 5 -45 8.92 12.71 -8 11 -30 90.00 56.47 6 5 -42 42.07 45.12 -5 13 30 2346.38 227.32 3 -18 -2 14.91 28.95 6 5 42 33.88 36.36 -10 -13 -17 85.19 54.73 6 17 4 105.78 57.94 -6 17 -4 135.00 62.12 7 -11 -32 99.51 49.62 0 16 23 120.37 49.33 6 15 -21 70.83 38.70 1 -9 -41 132.56 56.05 -15 -5 15 150.51 98.79 -11 -10 -24 457.29 214.88 -11 -10 24 651.46 112.70 -7 14 -23 76.27 38.51 -1 15 27 68.08 33.09 4 11 -36 27.15 29.88 12 7 27 500.80 103.89 10 -7 -33 133.92 58.41 -10 7 -33 144.65 65.25 -10 7 -33 100.51 61.88 -3 -18 -3 129.53 50.30 10 7 33 257.52 63.61 3 -18 -3 116.27 44.96 -16 3 9 267.68 55.15 -11 -12 -17 143.92 96.58 -11 -11 21 429.91 176.72 1 -4 -46 19.27 22.79 1 4 -46 21.30 24.47 5 -11 35 1059.42 128.71 -15 -4 17 618.86 159.36 -2 14 30 36.25 29.88 -2 -14 30 51.62 59.70 2 -14 -30 112.79 44.87 5 14 -27 41.95 47.96 4 5 -44 46.35 43.31 13 7 23 85.79 54.99 7 9 -36 142.18 67.38 -16 0 12 195.86 60.05 -12 -11 -16 5.98 20.98 -9 -15 -9 17.37 25.63 9 15 -9 98.31 75.81 -9 -15 -9 23.42 31.53 1 16 23 144.09 48.76 6 17 5 347.34 104.15 -6 17 -5 380.45 115.72 8 16 -4 1009.39 146.46 -14 -4 -23 129.16 53.29 -8 -16 -4 931.42 196.63 14 -3 -24 557.96 158.32 -14 -3 -24 718.44 119.43 -10 -14 -11 180.07 143.55 15 0 -20 416.58 167.27 -3 -18 -4 30.95 27.91 -16 -2 11 68.94 50.11 2 17 17 23.43 24.26 16 2 -11 46.88 78.69 8 15 -15 304.74 105.94 -8 15 -15 293.97 140.33 -12 -10 20 106.42 59.31 7 6 40 186.35 48.85 16 1 -12 139.98 58.94 6 8 -39 69.43 70.11 -16 -1 12 117.86 81.32 -11 -2 -35 954.83 155.28 -11 2 -35 846.11 142.28 -7 16 -12 476.08 190.59 -13 -9 18 66.15 56.06 9 12 -25 1181.82 168.46 5 17 11 1188.15 144.31 -9 -12 25 1333.68 154.86 -9 12 -25 1065.05 265.14 -13 -9 -18 27.27 38.77 -12 5 -30 20.50 21.99 3 -15 -26 299.95 181.92 -12 -9 23 931.60 202.65 9 -8 -34 34.49 41.61 -4 12 34 12.33 18.32 4 -12 34 59.70 40.19 4 17 14 144.78 46.87 4 12 -34 58.73 32.12 -9 8 -34 26.26 28.96 -11 5 -33 221.30 77.73 -2 -13 33 31.90 34.71 2 -13 -33 38.63 29.34 -11 5 -33 328.12 103.75 -12 4 -31 229.48 187.09 2 -13 33 20.14 23.80 -10 -11 25 168.28 147.09 -10 -11 -25 170.13 81.72 15 6 13 308.74 90.17 -8 -16 -5 224.24 74.51 1 2 -47 110.54 69.46 -16 4 7 76.68 42.76 -13 -8 21 1525.27 169.51 -13 -8 -21 1433.74 149.72 1 -2 -47 138.54 45.18 -10 3 -37 166.32 107.61 3 17 16 1410.49 152.87 3 11 -37 22.47 49.16 6 17 6 310.42 100.16 -3 -18 -5 48.95 44.79 7 7 -39 129.57 105.10 5 4 -44 94.99 58.80 7 5 41 92.09 50.86 5 4 44 97.05 70.96 -9 11 -28 230.86 69.50 -5 12 33 46.54 56.78 5 -12 33 88.25 51.47 3 7 -43 168.93 56.09 -14 -7 18 1165.54 138.79 9 14 -17 93.88 67.46 2 1 -47 23.85 41.33 -7 -13 27 73.73 60.27 2 1 -47 27.68 19.76 2 -1 -47 1.78 18.84 -11 4 -34 433.35 205.44 3 3 46 28.44 41.57 6 4 43 136.05 32.40 -11 -4 -34 516.99 167.68 3 3 -46 103.69 46.87 -11 6 -32 21.89 28.16 -11 -6 -32 68.93 44.39 11 6 32 8.95 17.37 14 -2 -25 62.30 65.68 2 -9 -41 112.35 43.12 6 -11 34 34.80 39.80 -7 15 -19 93.22 75.84 -9 -15 -10 41.33 49.32 -11 -8 -29 1265.36 143.23 -10 9 -30 183.53 79.75 3 -12 35 65.09 43.12 -11 -9 -27 563.11 116.59 -2 15 27 22.92 39.68 3 -16 -22 267.84 68.28 8 16 -6 435.87 94.43 12 -6 -29 354.58 96.11 2 4 -46 1105.91 136.65 -3 -18 -6 2.82 13.66 -6 -17 -7 147.84 49.68 3 10 -39 22.79 30.45 6 17 7 174.86 62.77 -15 -5 16 72.37 52.91 -10 -14 -12 136.02 59.21 -16 4 8 144.35 48.45 -16 -2 12 62.19 43.71 16 2 -12 127.17 48.18 -10 -13 -18 1021.68 121.89 8 12 -28 453.07 131.92 -8 -12 28 289.95 146.96 -8 14 -21 31.29 52.20 3 8 -42 6.57 20.16 -14 10 1 54.08 43.78 16 5 3 149.44 52.93 -15 8 2 13.12 36.75 10 -8 -32 30.27 35.69 -10 8 -32 154.89 63.86 -9 13 -22 339.74 166.66 -16 -1 13 438.61 97.42 16 1 -13 314.84 99.23 9 13 -22 490.74 119.88 -14 10 2 64.54 36.12 -12 -11 -17 314.45 83.42 -8 13 -25 118.80 74.48 9 6 37 78.41 35.24 2 2 -47 850.84 136.44 2 2 -47 923.66 154.91 -8 15 -16 41.98 44.20 -3 -18 -7 111.98 38.19 -16 -3 11 10.54 22.17 -4 -14 29 174.53 56.76 16 5 4 270.39 62.31 15 6 14 61.46 35.25 -4 14 29 258.58 174.35 4 -17 -15 134.53 57.23 -14 10 3 22.81 28.37 2 17 18 63.10 37.94 -11 -3 -35 52.64 42.18 0 16 24 197.24 49.00 -11 3 -35 76.83 42.05 -6 12 32 922.93 150.49 -3 14 30 51.15 42.27 11 -7 -31 -8.22 16.33 -11 -11 -22 127.39 51.63 11 7 31 31.09 24.48 6 17 8 96.44 52.65 -4 -13 32 257.26 55.88 8 -10 -33 72.61 43.86 -11 -10 -25 106.52 48.15 -11 -10 25 43.54 49.22 -15 8 4 48.87 66.89 -16 4 9 9.34 27.72 0 -13 34 52.60 44.22 3 17 17 481.56 107.64 -14 10 4 70.03 55.86 2 -11 -38 89.66 43.03 10 6 35 14.03 16.02 1 16 24 52.93 55.73 4 -18 -2 28.31 40.14 2 -12 -36 581.85 117.20 -11 0 -36 61.17 38.09 -10 -14 -13 400.52 111.05 8 -9 35 62.36 37.27 -16 -2 13 45.34 33.08 14 -3 -25 64.74 57.59 -15 8 5 81.39 92.40 -9 10 -31 76.35 65.20 -14 -7 19 26.52 35.80 -5 -13 31 111.40 50.14 8 11 -31 540.51 278.43 -5 13 31 59.64 51.11 -13 1 -30 14.78 12.79 -11 14 0 -0.77 12.66 5 14 -28 -4.13 19.18 7 10 -35 123.35 119.10 -6 -17 -9 241.90 45.24 -11 -1 -36 51.65 42.29 -11 1 -36 62.70 30.62 -15 -5 17 87.15 110.97 -16 5 6 13.54 19.47 16 1 -14 581.54 129.28 -9 12 -26 121.44 129.02 5 6 -43 220.55 62.43 -7 16 -14 92.47 46.68 3 4 -46 90.54 49.59 -10 7 -34 34.43 44.03 ; _shelx_hkl_checksum 25879 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, z' 'x, -y+1/2, z+1/2' '-x+1/2, -y, z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, -z' '-x, y-1/2, -z-1/2' 'x-1/2, y, -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 0.51438(3) 0.40383(2) 0.14060(2) 0.02670(11) Uani 1 1 d . . . . . Cl1 Cl 0.38728(11) 0.52654(10) 0.16924(4) 0.0475(3) Uani 1 1 d . . . . . Cl2 Cl 0.65032(11) 0.27946(9) 0.11991(4) 0.0467(3) Uani 1 1 d . . . . . P1 P 0.37096(9) 0.32264(8) 0.10902(3) 0.0317(2) Uani 1 1 d . . . . . N1 N 0.4827(3) 0.3055(3) 0.18368(10) 0.0333(7) Uani 1 1 d . . . . . N3 N 0.6023(3) 0.5278(3) 0.10642(10) 0.0353(8) Uani 1 1 d D . . . . C1 C 0.3608(4) 0.2095(4) 0.14105(15) 0.0448(11) Uani 1 1 d . . . . . H1A H 0.2824 0.1907 0.1439 0.054 Uiso 1 1 calc R U . . . H1B H 0.3997 0.1535 0.1286 0.054 Uiso 1 1 calc R U . . . C2 C 0.4099(4) 0.2273(3) 0.18062(14) 0.0397(10) Uani 1 1 d . . . . . C3 C 0.3935(6) 0.1623(4) 0.21260(17) 0.0596(15) Uani 1 1 d . . . . . H3 H 0.3410 0.1102 0.2111 0.072 Uiso 1 1 calc R U . . . C4 C 0.4561(6) 0.1762(5) 0.24662(17) 0.0704(19) Uani 1 1 d . . . . . H4 H 0.4442 0.1344 0.2683 0.084 Uiso 1 1 calc R U . . . C5 C 0.5348(6) 0.2504(5) 0.24844(16) 0.0608(15) Uani 1 1 d . . . . . H5 H 0.5797 0.2576 0.2707 0.073 Uiso 1 1 calc R U . . . C6 C 0.5472(4) 0.3152(4) 0.21678(13) 0.0415(10) Uani 1 1 d D . . . . C12 C 0.2291(4) 0.3763(4) 0.10996(14) 0.0440(11) Uani 1 1 d . . . . . C13 C 0.1939(5) 0.4399(4) 0.0808(2) 0.0597(15) Uani 1 1 d . . . . . H13 H 0.2418 0.4548 0.0599 0.072 Uiso 1 1 calc R U . . . C14 C 0.0855(6) 0.4833(5) 0.0819(3) 0.079(2) Uani 1 1 d . . . . . H14 H 0.0617 0.5249 0.0615 0.095 Uiso 1 1 calc R U . . . C15 C 0.0157(6) 0.4648(7) 0.1126(3) 0.095(3) Uani 1 1 d . . . . . H15 H -0.0548 0.4951 0.1140 0.115 Uiso 1 1 calc R U . . . C16 C 0.0506(7) 0.4024(10) 0.1409(3) 0.124(4) Uani 1 1 d . . . . . H16 H 0.0013 0.3866 0.1612 0.148 Uiso 1 1 calc R U . . . C17 C 0.1565(5) 0.3602(8) 0.1412(2) 0.093(3) Uani 1 1 d . . . . . H17 H 0.1793 0.3209 0.1625 0.111 Uiso 1 1 calc R U . . . C18 C 0.3746(4) 0.2642(3) 0.05999(13) 0.0354(9) Uani 1 1 d . . . . . C19 C 0.2784(4) 0.2266(4) 0.04177(15) 0.0480(12) Uani 1 1 d . . . . . H19 H 0.2094 0.2315 0.0545 0.058 Uiso 1 1 calc R U . . . C20 C 0.2847(5) 0.1819(5) 0.00487(17) 0.0587(15) Uani 1 1 d . . . . . H20 H 0.2194 0.1592 -0.0073 0.070 Uiso 1 1 calc R U . . . C21 C 0.3873(5) 0.1708(4) -0.01397(16) 0.0536(13) Uani 1 1 d . . . . . H21 H 0.3913 0.1405 -0.0386 0.064 Uiso 1 1 calc R U . . . C22 C 0.4828(5) 0.2052(4) 0.00427(16) 0.0521(13) Uani 1 1 d . . . . . H22 H 0.5525 0.1963 -0.0077 0.063 Uiso 1 1 calc R U . . . C23 C 0.4758(4) 0.2534(4) 0.04051(15) 0.0458(11) Uani 1 1 d . . . . . H23 H 0.5408 0.2791 0.0520 0.055 Uiso 1 1 calc R U . . . N2 N 0.6175(4) 0.4535(5) 0.1807(2) 0.0292(14) Uani 0.629(5) 1 d G . P A 1 C7 C 0.6382(6) 0.3923(4) 0.2132(2) 0.0377(12) Uani 0.629(5) 1 d DG . P A 1 C8 C 0.7280(6) 0.4137(5) 0.23803(16) 0.0440(18) Uani 0.629(5) 1 d G . P A 1 H8 H 0.7418 0.3728 0.2598 0.053 Uiso 0.629(5) 1 calc R U P A 1 C9 C 0.7971(5) 0.4963(6) 0.23037(18) 0.065(2) Uani 0.629(5) 1 d G . P A 1 H9 H 0.8572 0.5106 0.2470 0.078 Uiso 0.629(5) 1 calc R U P A 1 C10 C 0.7764(5) 0.5576(5) 0.1979(2) 0.055(3) Uani 0.629(5) 1 d G . P A 1 H10 H 0.8226 0.6128 0.1927 0.066 Uiso 0.629(5) 1 calc R U P A 1 C11 C 0.6866(4) 0.5362(4) 0.17303(13) 0.0364(16) Uani 0.629(5) 1 d DG . P A 1 C24 C 0.6503(5) 0.5922(4) 0.13706(15) 0.0390(16) Uani 0.629(5) 1 d D . P A 1 H24A H 0.5949 0.6425 0.1446 0.047 Uiso 0.629(5) 1 calc R U P A 1 H24B H 0.7146 0.6278 0.1263 0.047 Uiso 0.629(5) 1 calc R U P A 1 C25 C 0.5199(5) 0.5939(5) 0.08288(18) 0.0416(17) Uani 0.629(5) 1 d D . P A 1 H25A H 0.4578 0.6129 0.0999 0.050 Uiso 0.629(5) 1 calc R U P A 1 H25B H 0.5580 0.6556 0.0750 0.050 Uiso 0.629(5) 1 calc R U P A 1 C26 C 0.4731(7) 0.5422(7) 0.0464(2) 0.055(2) Uani 0.629(5) 1 d D . P A 1 H26A H 0.5328 0.5308 0.0279 0.083 Uiso 0.629(5) 1 calc R U P A 1 H26B H 0.4168 0.5845 0.0346 0.083 Uiso 0.629(5) 1 calc R U P A 1 H26C H 0.4402 0.4784 0.0537 0.083 Uiso 0.629(5) 1 calc R U P A 1 C27 C 0.6880(5) 0.4904(5) 0.07972(19) 0.0343(15) Uani 0.629(5) 1 d D . P A 1 H27A H 0.6522 0.4438 0.0615 0.041 Uiso 0.629(5) 1 calc R U P A 1 H27B H 0.7414 0.4513 0.0951 0.041 Uiso 0.629(5) 1 calc R U P A 1 C28 C 0.7546(8) 0.5673(9) 0.0554(3) 0.052(3) Uani 0.629(5) 1 d D . P A 1 H28A H 0.7072 0.5950 0.0353 0.077 Uiso 0.629(5) 1 calc R U P A 1 H28B H 0.8180 0.5343 0.0435 0.077 Uiso 0.629(5) 1 calc R U P A 1 H28C H 0.7805 0.6208 0.0723 0.077 Uiso 0.629(5) 1 calc R U P A 1 N2' N 0.6394(9) 0.4367(9) 0.1786(4) 0.0292(14) Uani 0.371(5) 1 d G . P A 2 C7' C 0.6274(10) 0.4003(9) 0.2168(4) 0.0377(12) Uani 0.371(5) 1 d DG . P A 2 C8' C 0.7034(12) 0.4290(9) 0.2458(3) 0.0440(18) Uani 0.371(5) 1 d G . P A 2 H8' H 0.6953 0.4047 0.2713 0.053 Uiso 0.371(5) 1 calc R U P A 2 C9' C 0.7914(10) 0.4942(12) 0.2366(3) 0.065(2) Uani 0.371(5) 1 d G . P A 2 H9' H 0.8422 0.5134 0.2560 0.078 Uiso 0.371(5) 1 calc R U P A 2 C10' C 0.8034(8) 0.5306(10) 0.1985(3) 0.055(3) Uani 0.371(5) 1 d G . P A 2 H10' H 0.8623 0.5742 0.1923 0.066 Uiso 0.371(5) 1 calc R U P A 2 C11' C 0.7274(8) 0.5019(7) 0.1694(2) 0.0364(16) Uani 0.371(5) 1 d DG . P A 2 C24' C 0.7196(7) 0.5281(8) 0.1272(3) 0.049(3) Uani 0.371(5) 1 d D . P A 2 H24C H 0.7678 0.4815 0.1130 0.058 Uiso 0.371(5) 1 calc R U P A 2 H24D H 0.7514 0.5952 0.1240 0.058 Uiso 0.371(5) 1 calc R U P A 2 C25' C 0.5619(9) 0.6322(7) 0.1102(4) 0.054(4) Uani 0.371(5) 1 d D U P A 2 H25C H 0.6188 0.6777 0.0999 0.064 Uiso 0.371(5) 1 calc R U P A 2 H25D H 0.5520 0.6476 0.1379 0.064 Uiso 0.371(5) 1 calc R U P A 2 C26' C 0.4499(12) 0.6527(13) 0.0885(5) 0.080(6) Uani 0.371(5) 1 d D . P A 2 H26D H 0.4652 0.6717 0.0618 0.120 Uiso 0.371(5) 1 calc R U P A 2 H26E H 0.4103 0.7065 0.1015 0.120 Uiso 0.371(5) 1 calc R U P A 2 H26F H 0.4047 0.5924 0.0888 0.120 Uiso 0.371(5) 1 calc R U P A 2 C27' C 0.6296(10) 0.5042(8) 0.0647(2) 0.046(3) Uani 0.371(5) 1 d D . P A 2 H27C H 0.5599 0.5026 0.0499 0.056 Uiso 0.371(5) 1 calc R U P A 2 H27D H 0.6620 0.4369 0.0636 0.056 Uiso 0.371(5) 1 calc R U P A 2 C28' C 0.7103(14) 0.5776(15) 0.0442(4) 0.055(5) Uani 0.371(5) 1 d D . P A 2 H28D H 0.6768 0.6437 0.0430 0.083 Uiso 0.371(5) 1 calc R U P A 2 H28E H 0.7254 0.5539 0.0180 0.083 Uiso 0.371(5) 1 calc R U P A 2 H28F H 0.7794 0.5811 0.0587 0.083 Uiso 0.371(5) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.03144(17) 0.02622(16) 0.02245(15) -0.00039(12) -0.00261(12) -0.00098(12) Cl1 0.0464(6) 0.0496(6) 0.0466(6) -0.0147(5) 0.0152(5) 0.0013(5) Cl2 0.0480(6) 0.0375(5) 0.0546(7) -0.0024(5) -0.0052(5) 0.0158(5) P1 0.0308(5) 0.0355(5) 0.0287(5) -0.0047(4) -0.0036(4) -0.0005(4) N1 0.0409(19) 0.0328(17) 0.0262(17) 0.0048(13) -0.0015(14) 0.0015(15) N3 0.044(2) 0.0316(17) 0.0303(17) -0.0025(14) 0.0041(15) -0.0049(15) C1 0.055(3) 0.037(2) 0.043(3) 0.001(2) 0.001(2) -0.013(2) C2 0.048(3) 0.035(2) 0.036(2) 0.0060(18) 0.0050(19) -0.0032(19) C3 0.077(4) 0.052(3) 0.049(3) 0.018(3) 0.015(3) -0.011(3) C4 0.102(5) 0.068(4) 0.040(3) 0.025(3) 0.015(3) 0.002(4) C5 0.082(4) 0.069(4) 0.032(2) 0.014(3) -0.005(3) 0.006(3) C6 0.047(3) 0.051(3) 0.026(2) 0.0021(19) -0.0035(18) 0.006(2) C12 0.032(2) 0.058(3) 0.042(2) -0.016(2) -0.0064(19) 0.002(2) C13 0.052(3) 0.048(3) 0.079(4) -0.001(3) -0.009(3) 0.008(3) C14 0.062(4) 0.056(4) 0.119(6) -0.020(4) -0.036(4) 0.014(3) C15 0.040(3) 0.104(6) 0.142(9) -0.025(6) -0.020(5) 0.016(4) C16 0.056(4) 0.214(12) 0.100(7) -0.003(8) 0.023(5) 0.042(6) C17 0.048(3) 0.173(9) 0.057(4) 0.013(5) 0.002(3) 0.028(5) C18 0.037(2) 0.036(2) 0.033(2) -0.0059(17) -0.0031(17) -0.0029(18) C19 0.039(3) 0.060(3) 0.046(3) -0.019(2) -0.005(2) -0.004(2) C20 0.055(3) 0.070(4) 0.052(3) -0.027(3) -0.006(3) -0.014(3) C21 0.063(3) 0.056(3) 0.041(3) -0.020(2) 0.002(2) -0.008(3) C22 0.050(3) 0.063(3) 0.043(3) -0.015(2) 0.014(2) -0.012(3) C23 0.040(2) 0.056(3) 0.041(3) -0.013(2) 0.003(2) -0.014(2) N2 0.025(3) 0.038(3) 0.0253(19) -0.0102(19) 0.001(2) 0.008(3) C7 0.039(3) 0.050(3) 0.024(2) -0.010(2) -0.0030(19) 0.013(2) C8 0.040(5) 0.068(4) 0.025(3) -0.021(3) -0.001(3) 0.021(3) C9 0.046(3) 0.110(6) 0.040(4) -0.023(4) -0.012(3) -0.011(3) C10 0.036(5) 0.081(7) 0.047(3) -0.030(4) 0.002(3) -0.014(5) C11 0.029(4) 0.052(5) 0.028(3) -0.016(3) 0.004(3) -0.010(3) C24 0.049(4) 0.033(3) 0.035(3) -0.008(3) 0.003(3) -0.015(3) C25 0.046(4) 0.038(4) 0.041(4) 0.011(3) 0.006(3) -0.001(3) C26 0.056(5) 0.058(5) 0.052(5) 0.018(4) -0.021(4) -0.007(4) C27 0.030(3) 0.033(3) 0.040(4) -0.004(3) 0.012(3) -0.004(3) C28 0.043(5) 0.051(6) 0.061(6) 0.004(5) 0.020(5) -0.003(5) N2' 0.025(3) 0.038(3) 0.0253(19) -0.0102(19) 0.001(2) 0.008(3) C7' 0.039(3) 0.050(3) 0.024(2) -0.010(2) -0.0030(19) 0.013(2) C8' 0.040(5) 0.068(4) 0.025(3) -0.021(3) -0.001(3) 0.021(3) C9' 0.046(3) 0.110(6) 0.040(4) -0.023(4) -0.012(3) -0.011(3) C10' 0.036(5) 0.081(7) 0.047(3) -0.030(4) 0.002(3) -0.014(5) C11' 0.029(4) 0.052(5) 0.028(3) -0.016(3) 0.004(3) -0.010(3) C24' 0.061(9) 0.039(7) 0.046(7) -0.004(6) 0.001(6) -0.010(6) C25' 0.061(7) 0.042(6) 0.058(7) -0.008(5) 0.016(6) 0.000(5) C26' 0.076(13) 0.096(15) 0.068(12) -0.010(11) -0.007(10) 0.013(12) C27' 0.048(8) 0.041(7) 0.050(8) 0.002(6) -0.003(6) -0.005(6) C28' 0.046(10) 0.053(10) 0.066(12) 0.014(9) 0.028(9) 0.000(9) 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' 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle N2 Ru1 N1 79.9(2) N1 Ru1 N2' 79.0(4) N2 Ru1 N3 79.9(2) N1 Ru1 N3 159.34(14) N2' Ru1 N3 80.3(4) N2 Ru1 P1 163.3(2) N1 Ru1 P1 84.14(11) N2' Ru1 P1 162.4(4) N3 Ru1 P1 116.35(9) N2 Ru1 Cl2 90.64(18) N1 Ru1 Cl2 84.12(11) N2' Ru1 Cl2 80.7(3) N3 Ru1 Cl2 91.87(9) P1 Ru1 Cl2 92.56(4) N2 Ru1 Cl1 83.48(18) N1 Ru1 Cl1 91.29(11) N2' Ru1 Cl1 93.4(3) N3 Ru1 Cl1 90.64(9) P1 Ru1 Cl1 92.08(4) Cl2 Ru1 Cl1 173.11(5) C12 P1 C18 101.5(2) C12 P1 C1 104.0(2) C18 P1 C1 101.3(2) C12 P1 Ru1 119.96(15) C18 P1 Ru1 127.30(15) C1 P1 Ru1 98.69(16) C2 N1 C6 119.7(4) C2 N1 Ru1 124.2(3) C6 N1 Ru1 115.9(3) C27 N3 C24 111.7(4) C25' N3 C27' 110.6(6) C27 N3 C25 108.5(4) C24 N3 C25 106.8(4) C25' N3 C24' 104.5(5) C27' N3 C24' 103.7(5) C27 N3 Ru1 113.5(3) C24 N3 Ru1 103.6(3) C25' N3 Ru1 118.9(6) C27' N3 Ru1 116.0(5) C25 N3 Ru1 112.5(3) C24' N3 Ru1 100.5(4) C2 C1 P1 112.3(3) C2 C1 H1A 109.1 P1 C1 H1A 109.1 C2 C1 H1B 109.1 P1 C1 H1B 109.1 H1A C1 H1B 107.9 N1 C2 C3 119.9(5) N1 C2 C1 116.3(4) C3 C2 C1 123.5(5) C4 C3 C2 119.4(5) C4 C3 H3 120.3 C2 C3 H3 120.3 C5 C4 C3 120.3(5) C5 C4 H4 119.9 C3 C4 H4 119.9 C4 C5 C6 119.1(5) C4 C5 H5 120.5 C6 C5 H5 120.5 N1 C6 C5 121.4(5) N1 C6 C7' 115.8(7) C5 C6 C7' 122.8(7) N1 C6 C7 113.9(5) C5 C6 C7 124.3(5) C13 C12 C17 117.4(5) C13 C12 P1 120.5(4) C17 C12 P1 121.9(5) C12 C13 C14 120.6(7) C12 C13 H13 119.7 C14 C13 H13 119.7 C15 C14 C13 120.6(7) C15 C14 H14 119.7 C13 C14 H14 119.7 C16 C15 C14 118.4(7) C16 C15 H15 120.8 C14 C15 H15 120.8 C15 C16 C17 122.8(9) C15 C16 H16 118.6 C17 C16 H16 118.6 C16 C17 C12 120.1(8) C16 C17 H17 119.9 C12 C17 H17 119.9 C23 C18 C19 117.8(4) C23 C18 P1 119.9(3) C19 C18 P1 122.2(4) C20 C19 C18 120.6(5) C20 C19 H19 119.7 C18 C19 H19 119.7 C21 C20 C19 120.6(5) C21 C20 H20 119.7 C19 C20 H20 119.7 C22 C21 C20 119.1(5) C22 C21 H21 120.5 C20 C21 H21 120.5 C21 C22 C23 120.1(5) C21 C22 H22 119.9 C23 C22 H22 119.9 C18 C23 C22 121.7(5) C18 C23 H23 119.2 C22 C23 H23 119.2 C7 N2 C11 120.0 C7 N2 Ru1 118.1(4) C11 N2 Ru1 120.4(4) N2 C7 C8 120.0 N2 C7 C6 109.4(5) C8 C7 C6 130.3(5) C9 C8 C7 120.0 C9 C8 H8 120.0 C7 C8 H8 120.0 C8 C9 C10 120.0 C8 C9 H9 120.0 C10 C9 H9 120.0 C11 C10 C9 120.0 C11 C10 H10 120.0 C9 C10 H10 120.0 C10 C11 N2 120.0 C10 C11 C24 128.2(5) N2 C11 C24 111.8(5) N3 C24 C11 114.1(4) N3 C24 H24A 108.7 C11 C24 H24A 108.7 N3 C24 H24B 108.7 C11 C24 H24B 108.7 H24A C24 H24B 107.6 C26 C25 N3 113.7(5) C26 C25 H25A 108.8 N3 C25 H25A 108.8 C26 C25 H25B 108.8 N3 C25 H25B 108.8 H25A C25 H25B 107.7 C25 C26 H26A 109.5 C25 C26 H26B 109.5 H26A C26 H26B 109.5 C25 C26 H26C 109.5 H26A C26 H26C 109.5 H26B C26 H26C 109.5 N3 C27 C28 118.3(5) N3 C27 H27A 107.7 C28 C27 H27A 107.7 N3 C27 H27B 107.7 C28 C27 H27B 107.7 H27A C27 H27B 107.1 C27 C28 H28A 109.5 C27 C28 H28B 109.5 H28A C28 H28B 109.5 C27 C28 H28C 109.5 H28A C28 H28C 109.5 H28B C28 H28C 109.5 C7' N2' C11' 120.0 C7' N2' Ru1 116.6(8) C11' N2' Ru1 123.0(8) N2' C7' C8' 120.0 N2' C7' C6 109.3(10) C8' C7' C6 129.0(10) C7' C8' C9' 120.0 C7' C8' H8' 120.0 C9' C8' H8' 120.0 C8' C9' C10' 120.0 C8' C9' H9' 120.0 C10' C9' H9' 120.0 C11' C10' C9' 120.0 C11' C10' H10' 120.0 C9' C10' H10' 120.0 C10' C11' N2' 120.0 C10' C11' C24' 131.7(9) N2' C11' C24' 108.3(9) C11' C24' N3 119.6(8) C11' C24' H24C 107.4 N3 C24' H24C 107.4 C11' C24' H24D 107.4 N3 C24' H24D 107.4 H24C C24' H24D 106.9 N3 C25' C26' 113.9(8) N3 C25' H25C 108.8 C26' C25' H25C 108.8 N3 C25' H25D 108.8 C26' C25' H25D 108.8 H25C C25' H25D 107.7 C25' C26' H26D 109.5 C25' C26' H26E 109.5 H26D C26' H26E 109.5 C25' C26' H26F 109.5 H26D C26' H26F 109.5 H26E C26' H26F 109.5 N3 C27' C28' 116.0(8) N3 C27' H27C 108.3 C28' C27' H27C 108.3 N3 C27' H27D 108.3 C28' C27' H27D 108.3 H27C C27' H27D 107.4 C27' C28' H28D 109.5 C27' C28' H28E 109.5 H28D C28' H28E 109.5 C27' C28' H28F 109.5 H28D C28' H28F 109.5 H28E C28' H28F 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Ru1 N2 1.946(5) Ru1 N1 1.992(3) Ru1 N2' 2.016(8) Ru1 N3 2.262(3) Ru1 P1 2.2821(11) Ru1 Cl2 2.4088(12) Ru1 Cl1 2.4196(12) P1 C12 1.830(5) P1 C18 1.836(4) P1 C1 1.851(5) N1 C2 1.351(6) N1 C6 1.367(5) N3 C27 1.451(5) N3 C24 1.459(5) N3 C25' 1.465(7) N3 C27' 1.487(7) N3 C25 1.537(6) N3 C24' 1.564(7) C1 C2 1.484(7) C1 H1A 0.9700 C1 H1B 0.9700 C2 C3 1.398(6) C3 C4 1.387(9) C3 H3 0.9300 C4 C5 1.356(9) C4 H4 0.9300 C5 C6 1.382(7) C5 H5 0.9300 C6 C7' 1.473(8) C6 C7 1.490(7) C12 C13 1.365(8) C12 C17 1.386(8) C13 C14 1.412(8) C13 H13 0.9300 C14 C15 1.355(12) C14 H14 0.9300 C15 C16 1.331(13) C15 H15 0.9300 C16 C17 1.377(10) C16 H16 0.9300 C17 H17 0.9300 C18 C23 1.380(6) C18 C19 1.392(6) C19 C20 1.387(7) C19 H19 0.9300 C20 C21 1.386(8) C20 H20 0.9300 C21 C22 1.371(7) C21 H21 0.9300 C22 C23 1.388(7) C22 H22 0.9300 C23 H23 0.9300 N2 C7 1.3900 N2 C11 1.3900 C7 C8 1.3900 C8 C9 1.3900 C8 H8 0.9300 C9 C10 1.3900 C9 H9 0.9300 C10 C11 1.3900 C10 H10 0.9300 C11 C24 1.492(7) C24 H24A 0.9700 C24 H24B 0.9700 C25 C26 1.520(7) C25 H25A 0.9700 C25 H25B 0.9700 C26 H26A 0.9600 C26 H26B 0.9600 C26 H26C 0.9600 C27 C28 1.529(7) C27 H27A 0.9700 C27 H27B 0.9700 C28 H28A 0.9600 C28 H28B 0.9600 C28 H28C 0.9600 N2' C7' 1.3900 N2' C11' 1.3900 C7' C8' 1.3900 C8' C9' 1.3900 C8' H8' 0.9300 C9' C10' 1.3900 C9' H9' 0.9300 C10' C11' 1.3900 C10' H10' 0.9300 C11' C24' 1.477(8) C24' H24C 0.9700 C24' H24D 0.9700 C25' C26' 1.545(9) C25' H25C 0.9700 C25' H25D 0.9700 C26' H26D 0.9600 C26' H26E 0.9600 C26' H26F 0.9600 C27' C28' 1.531(9) C27' H27C 0.9700 C27' H27D 0.9700 C28' H28D 0.9600 C28' H28E 0.9600 C28' H28F 0.9600 loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C27' H27D Cl2 0.97 2.83 3.518(11) 129.0 . C24' H24D Cl2 0.97 2.70 3.669(11) 175.7 2_655 C28 H28C Cl2 0.96 2.77 3.730(13) 178.1 2_655 C27 H27B Cl2 0.97 2.65 3.132(6) 111.0 . C25 H25A Cl1 0.97 2.75 3.447(7) 129.5 . C24 H24B Cl2 0.97 2.58 3.475(6) 154.2 2_655 C23 H23 Cl2 0.93 2.65 3.421(5) 140.7 . C27' H27D Cl2 0.97 2.83 3.518(11) 129.0 . C24' H24D Cl2 0.97 2.70 3.669(11) 175.7 2_655 C28 H28C Cl2 0.96 2.77 3.730(13) 178.1 2_655 C27 H27B Cl2 0.97 2.65 3.132(6) 111.0 . C25 H25A Cl1 0.97 2.75 3.447(7) 129.5 . C24 H24B Cl2 0.97 2.58 3.475(6) 154.2 2_655 C23 H23 Cl2 0.93 2.65 3.421(5) 140.7 . 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 C12 P1 C1 C2 -102.5(4) C18 P1 C1 C2 152.5(4) Ru1 P1 C1 C2 21.5(4) C6 N1 C2 C3 5.8(7) Ru1 N1 C2 C3 180.0(4) C6 N1 C2 C1 -167.7(4) Ru1 N1 C2 C1 6.5(6) P1 C1 C2 N1 -19.9(6) P1 C1 C2 C3 166.9(5) N1 C2 C3 C4 -2.9(9) C1 C2 C3 C4 170.1(6) C2 C3 C4 C5 -1.8(10) C3 C4 C5 C6 3.5(10) C2 N1 C6 C5 -4.1(7) Ru1 N1 C6 C5 -178.8(4) C2 N1 C6 C7' 177.6(7) Ru1 N1 C6 C7' 2.9(8) C2 N1 C6 C7 169.1(5) Ru1 N1 C6 C7 -5.6(6) C4 C5 C6 N1 -0.6(9) C4 C5 C6 C7' 177.6(8) C4 C5 C6 C7 -173.0(6) C18 P1 C12 C13 -54.1(5) C1 P1 C12 C13 -159.0(4) Ru1 P1 C12 C13 92.2(4) C18 P1 C12 C17 130.5(6) C1 P1 C12 C17 25.7(6) Ru1 P1 C12 C17 -83.2(6) C17 C12 C13 C14 -2.9(9) P1 C12 C13 C14 -178.4(4) C12 C13 C14 C15 1.9(10) C13 C14 C15 C16 -2.1(13) C14 C15 C16 C17 3.6(16) C15 C16 C17 C12 -4.7(17) C13 C12 C17 C16 4.2(12) P1 C12 C17 C16 179.7(8) C12 P1 C18 C23 152.3(4) C1 P1 C18 C23 -100.7(4) Ru1 P1 C18 C23 9.5(5) C12 P1 C18 C19 -29.8(5) C1 P1 C18 C19 77.2(5) Ru1 P1 C18 C19 -172.6(4) C23 C18 C19 C20 -1.4(8) P1 C18 C19 C20 -179.3(4) C18 C19 C20 C21 2.2(9) C19 C20 C21 C22 -0.4(10) C20 C21 C22 C23 -2.1(9) C19 C18 C23 C22 -1.2(8) P1 C18 C23 C22 176.8(4) C21 C22 C23 C18 2.9(9) C11 N2 C7 C8 0.0 Ru1 N2 C7 C8 166.1(5) C11 N2 C7 C6 175.1(6) Ru1 N2 C7 C6 -18.8(3) N1 C6 C7 N2 15.1(5) C5 C6 C7 N2 -171.9(5) C7' C6 C7 N2 -91(7) N1 C6 C7 C8 -170.5(5) C5 C6 C7 C8 2.5(9) C7' C6 C7 C8 84(7) N2 C7 C8 C9 0.0 C6 C7 C8 C9 -174.0(7) C7 C8 C9 C10 0.0 C8 C9 C10 C11 0.0 C9 C10 C11 N2 0.0 C9 C10 C11 C24 179.78(9) C7 N2 C11 C10 0.0 Ru1 N2 C11 C10 -165.8(5) C7 N2 C11 C24 -179.81(8) Ru1 N2 C11 C24 14.4(5) C27 N3 C24 C11 -89.3(5) C25' N3 C24 C11 149.1(8) C27' N3 C24 C11 -120.3(8) C25 N3 C24 C11 152.3(4) C24' N3 C24 C11 -58.5(6) Ru1 N3 C24 C11 33.3(4) C10 C11 C24 N3 146.6(5) N2 C11 C24 N3 -33.6(5) C27 N3 C25 C26 52.2(7) C24 N3 C25 C26 172.7(6) C25' N3 C25 C26 176.7(11) C27' N3 C25 C26 38.5(7) C24' N3 C25 C26 133.1(8) Ru1 N3 C25 C26 -74.3(6) C24 N3 C27 C28 -62.3(8) C25' N3 C27 C28 7.2(10) C27' N3 C27 C28 78.7(11) C25 N3 C27 C28 55.1(8) C24' N3 C27 C28 -86.1(8) Ru1 N3 C27 C28 -179.1(6) C11' N2' C7' C8' 0.0 Ru1 N2' C7' C8' -172.9(9) C11' N2' C7' C6 -166.3(12) Ru1 N2' C7' C6 20.9(5) N1 C6 C7' N2' -15.2(8) C5 C6 C7' N2' 166.5(5) C7 C6 C7' N2' 63(6) N1 C6 C7' C8' -179.8(8) C5 C6 C7' C8' 1.9(14) C7 C6 C7' C8' -102(7) N2' C7' C8' C9' 0.0 C6 C7' C8' C9' 163.2(14) C7' C8' C9' C10' 0.0 C8' C9' C10' C11' 0.0 C9' C10' C11' N2' 0.0 C9' C10' C11' C24' -179.94(10) C7' N2' C11' C10' 0.0 Ru1 N2' C11' C10' 172.4(10) C7' N2' C11' C24' 179.95(8) Ru1 N2' C11' C24' -7.7(10) C10' C11' C24' N3 -151.9(9) N2' C11' C24' N3 28.2(9) C27 N3 C24' C11' -143.0(8) C24 N3 C24' C11' 67.4(6) C25' N3 C24' C11' 92.2(9) C27' N3 C24' C11' -151.9(7) C25 N3 C24' C11' 122.8(8) Ru1 N3 C24' C11' -31.6(6) C27 N3 C25' C26' 99.6(13) C24 N3 C25' C26' -164.0(14) C27' N3 C25' C26' 64.2(14) C25 N3 C25' C26' 20.4(10) C24' N3 C25' C26' 175.2(12) Ru1 N3 C25' C26' -73.8(13) C27 N3 C27' C28' -73.0(12) C24 N3 C27' C28' -16.1(14) C25' N3 C27' C28' 53.3(13) C25 N3 C27' C28' 84.0(11) C24' N3 C27' C28' -58.3(12) Ru1 N3 C27' C28' -167.4(10)