#------------------------------------------------------------------------------ #$Date: 2021-09-03 22:47:39 +0300 (Fri, 03 Sep 2021) $ #$Revision: 268427 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/90/4519000.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_4519000 loop_ _publ_author_name 'Lohrey, Trevor D.' 'Cusumano, Alexander Q.' 'Goddard, William A.' 'Stoltz, Brian M.' _publ_section_title ; Identifying the Imperative Role of Metal--Olefin Interactions in Catalytic C--O Reductive Elimination from Nickel(II) ; _journal_issue 16 _journal_name_full 'ACS Catalysis' _journal_page_first 10208 _journal_page_last 10222 _journal_paper_doi 10.1021/acscatal.1c02790 _journal_volume 11 _journal_year 2021 _chemical_formula_sum 'C34 H55 I N Ni O P' _chemical_formula_weight 710.37 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary iterative _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 81.983(3) _cell_angle_beta 78.073(3) _cell_angle_gamma 75.856(3) _cell_formula_units_Z 2 _cell_length_a 11.0239(9) _cell_length_b 11.4716(9) _cell_length_c 13.6693(11) _cell_measurement_reflns_used 9952 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 25.81 _cell_measurement_theta_min 2.24 _cell_volume 1632.8(2) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX3' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics ORTEP-32 _computing_publication_material WinGX _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution SHELXT _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 8.366 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0701 _diffrn_reflns_av_unetI/netI 0.0503 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 44904 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 26.456 _diffrn_reflns_theta_min 1.529 _diffrn_source 'microfocus sealed tube' _exptl_absorpt_coefficient_mu 1.615 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_correction_T_min 0.6542 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.445 _exptl_crystal_description block _exptl_crystal_F_000 740 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.090 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.879 _refine_diff_density_min -0.593 _refine_diff_density_rms 0.099 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 429 _refine_ls_number_reflns 6718 _refine_ls_number_restraints 99 _refine_ls_restrained_S_all 1.184 _refine_ls_R_factor_all 0.0716 _refine_ls_R_factor_gt 0.0425 _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^)+(0.0430P)^2^+2.7845P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0915 _refine_ls_wR_factor_ref 0.1027 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4966 _reflns_number_total 6718 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cs1c02790_si_002.cif _cod_data_source_block 7_2078294 _cod_depositor_comments ; The following automatic conversions were performed: data item '_atom_sites_solution_secondary' value 'diffmap' was changed to 'difmap'. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_database_code 4519000 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL shelxt_a.res in P-1 CELL 0.71073 11.0239 11.4716 13.6693 81.983 78.073 75.856 ZERR 2.00 0.0009 0.0009 0.0011 0.003 0.003 0.003 LATT 1 SFAC C H N O P NI I UNIT 68 110 2 2 2 2 2 MERG 2 RIGU 0.004 0.004 O1A C1A C2A C3A C4A C5A C6A DFIX 1.53 0.01 C6A C5A C6A C1A C1A C2A DFIX 1.53 0.01 C1 C2 C2 C3 C3 C4 C4 C5 C5 C6 C6 C1 DFIX 2.50 0.01 C5A C1A C2A C6A C1A C3A C3A C5A C2A C4A C4A C6A DFIX 2.52 0.02 C1 C3 C3 C5 C5 C1 C2 C4 C4 C6 C6 C1 DFIX 1.42 0.01 O1A C1A DFIX 2.35 0.01 O1A C6A O1A C2A ISOR 0.02 C4 C4A C5A O1A C1 FMAP 2 PLAN 20 ACTA 50.00 BOND $H LIST 4 WPDB -2 L.S. 10 TEMP -173.18 WGHT 0.043000 2.784500 FVAR 0.14299 PART 1 C1 1 0.429266 0.950660 0.167389 10.55000 0.06541 0.02165 = 0.04959 -0.00613 0.03232 0.01018 AFIX 13 H1 2 0.465973 0.979725 0.097716 10.55000 -1.20000 AFIX 0 C2 1 0.338549 1.048077 0.229874 10.55000 0.11356 0.03065 = 0.07294 -0.02016 -0.02489 0.02350 AFIX 23 H2A 2 0.326384 1.015861 0.301416 10.55000 -1.20000 H2B 2 0.377903 1.118250 0.223747 10.55000 -1.20000 AFIX 0 C3 1 0.213692 1.088879 0.199004 10.55000 0.05556 0.08925 = 0.11608 -0.06459 -0.01859 -0.00516 AFIX 23 H3A 2 0.225087 1.133408 0.131502 10.55000 -1.20000 H3B 2 0.158363 1.146445 0.245986 10.55000 -1.20000 AFIX 0 C4 1 0.145390 0.989687 0.195493 10.55000 0.06628 0.02482 = 0.11176 -0.00875 -0.00458 0.01975 AFIX 23 H4A 2 0.068110 1.024864 0.165973 10.55000 -1.20000 H4B 2 0.118393 0.954910 0.264747 10.55000 -1.20000 AFIX 0 C5 1 0.230386 0.889290 0.133387 10.55000 0.05543 0.07370 = 0.08615 -0.01943 -0.03688 0.03150 AFIX 23 H5A 2 0.185349 0.823781 0.135986 10.55000 -1.20000 H5B 2 0.251000 0.921586 0.062404 10.55000 -1.20000 AFIX 0 C6 1 0.351170 0.840425 0.175466 10.55000 0.02709 0.02444 = 0.00981 -0.00380 -0.00383 0.00387 AFIX 13 H6 2 0.331138 0.806598 0.246906 10.55000 -1.20000 AFIX 0 PART 0 C7 1 0.482711 0.749917 0.007193 11.00000 0.06221 0.03143 = 0.10139 0.00569 -0.05017 -0.00874 AFIX 137 H7A 2 0.575660 0.728260 -0.010693 11.00000 -1.50000 H7B 2 0.451105 0.831322 -0.023377 11.00000 -1.50000 H7C 2 0.446539 0.692117 -0.017539 11.00000 -1.50000 AFIX 0 C8 1 0.493095 0.652054 0.169918 11.00000 0.02075 0.04157 = 0.05752 -0.02153 -0.00650 -0.00869 C9 1 0.574515 0.546062 0.140285 11.00000 0.01959 0.03554 = 0.03409 -0.01217 -0.00468 -0.00879 C10 1 0.612588 0.451615 0.215987 11.00000 0.02840 0.04403 = 0.02192 -0.00474 -0.00396 -0.01917 C11 1 0.680798 0.330499 0.187442 11.00000 0.03550 0.02914 = 0.02738 0.00283 -0.01633 -0.01611 C12 1 0.788225 0.315040 0.112277 11.00000 0.03620 0.02822 = 0.02709 0.00245 -0.00879 -0.01217 AFIX 43 H12 2 0.817895 0.383863 0.078901 11.00000 -1.20000 AFIX 0 C13 1 0.852347 0.202136 0.085309 11.00000 0.04442 0.03613 = 0.04448 0.00116 -0.01794 -0.00553 AFIX 43 H13 2 0.926081 0.193520 0.034289 11.00000 -1.20000 AFIX 0 C14 1 0.809397 0.100653 0.132608 11.00000 0.06211 0.02739 = 0.05638 0.00100 -0.02751 -0.00714 AFIX 43 H14 2 0.852846 0.022598 0.113606 11.00000 -1.20000 AFIX 0 C15 1 0.705127 0.113993 0.205981 11.00000 0.07071 0.03283 = 0.04722 0.01211 -0.03345 -0.02619 AFIX 43 H15 2 0.675824 0.044696 0.238641 11.00000 -1.20000 AFIX 0 C16 1 0.640771 0.226883 0.234016 11.00000 0.04681 0.04453 = 0.02844 0.00623 -0.01175 -0.02836 AFIX 43 H16 2 0.567990 0.234081 0.285913 11.00000 -1.20000 AFIX 0 C17 1 1.002635 0.525292 0.265272 11.00000 0.02230 0.02392 = 0.02865 -0.00306 -0.00401 -0.00780 AFIX 13 H17 2 1.005654 0.611691 0.243932 11.00000 -1.20000 AFIX 0 C18 1 1.050307 0.461532 0.170048 11.00000 0.02495 0.02712 = 0.02807 -0.00409 -0.00438 -0.00832 AFIX 23 H18A 2 1.048377 0.375036 0.185752 11.00000 -1.20000 H18B 2 0.993325 0.496926 0.121115 11.00000 -1.20000 AFIX 0 C19 1 1.184763 0.473076 0.123802 11.00000 0.03335 0.03372 = 0.03177 -0.01113 0.00128 -0.01206 AFIX 23 H19A 2 1.215533 0.425495 0.064917 11.00000 -1.20000 H19B 2 1.184500 0.558691 0.100047 11.00000 -1.20000 AFIX 0 C20 1 1.274366 0.429278 0.197879 11.00000 0.02337 0.04380 = 0.03963 -0.01009 -0.00175 -0.01053 AFIX 23 H20A 2 1.360004 0.441778 0.166051 11.00000 -1.20000 H20B 2 1.281303 0.341696 0.216737 11.00000 -1.20000 AFIX 0 C21 1 1.227454 0.496320 0.291437 11.00000 0.03088 0.03618 = 0.03621 -0.00456 -0.01001 -0.01362 AFIX 23 H21A 2 1.227500 0.582951 0.273461 11.00000 -1.20000 H21B 2 1.285644 0.463918 0.339957 11.00000 -1.20000 AFIX 0 C22 1 1.093799 0.482847 0.339777 11.00000 0.02588 0.02991 = 0.02820 -0.00358 -0.00447 -0.00871 AFIX 23 H22A 2 1.063112 0.530879 0.398396 11.00000 -1.20000 H22B 2 1.095513 0.397114 0.364033 11.00000 -1.20000 AFIX 0 C23 1 0.837750 0.388443 0.407244 11.00000 0.03077 0.02891 = 0.02595 -0.00015 -0.01013 -0.01356 AFIX 13 H23 2 0.892509 0.394544 0.455384 11.00000 -1.20000 AFIX 0 C24 1 0.901114 0.271418 0.356983 11.00000 0.03227 0.02443 = 0.03234 -0.00005 -0.00679 -0.01057 AFIX 23 H24A 2 0.851671 0.262604 0.306736 11.00000 -1.20000 H24B 2 0.987881 0.276137 0.321400 11.00000 -1.20000 AFIX 0 C25 1 0.908758 0.161300 0.434163 11.00000 0.03931 0.02562 = 0.04101 -0.00113 -0.00988 -0.00841 AFIX 23 H25A 2 0.944968 0.087266 0.399030 11.00000 -1.20000 H25B 2 0.966578 0.165598 0.479508 11.00000 -1.20000 AFIX 0 C26 1 0.780938 0.153552 0.495237 11.00000 0.04219 0.03504 = 0.03204 0.00358 -0.00978 -0.01435 AFIX 23 H26A 2 0.790519 0.084009 0.546977 11.00000 -1.20000 H26B 2 0.725630 0.140285 0.451188 11.00000 -1.20000 AFIX 0 C27 1 0.719347 0.268745 0.545702 11.00000 0.04524 0.03500 = 0.02771 -0.00124 -0.00591 -0.01613 AFIX 23 H27A 2 0.770255 0.277185 0.595028 11.00000 -1.20000 H27B 2 0.633281 0.263426 0.582586 11.00000 -1.20000 AFIX 0 C28 1 0.709183 0.379527 0.469925 11.00000 0.03453 0.03391 = 0.02835 -0.00538 -0.00003 -0.01533 AFIX 23 H28A 2 0.650586 0.375432 0.425162 11.00000 -1.20000 H28B 2 0.673100 0.452929 0.505904 11.00000 -1.20000 AFIX 0 C29 1 0.781430 0.645375 0.408256 11.00000 0.02737 0.02327 = 0.02613 -0.00579 -0.00329 -0.00513 AFIX 13 H29 2 0.799981 0.605025 0.474938 11.00000 -1.20000 AFIX 0 C30 1 0.847837 0.750873 0.382399 11.00000 0.03069 0.02903 = 0.03461 -0.00614 -0.00432 -0.00905 AFIX 23 H30A 2 0.833095 0.791663 0.315766 11.00000 -1.20000 H30B 2 0.940592 0.719916 0.378603 11.00000 -1.20000 AFIX 0 C31 1 0.798501 0.841810 0.461043 11.00000 0.03534 0.02652 = 0.04827 -0.01215 -0.00499 -0.00738 AFIX 23 H31A 2 0.822867 0.803515 0.525769 11.00000 -1.20000 H31B 2 0.839078 0.911516 0.439837 11.00000 -1.20000 AFIX 0 C32 1 0.654864 0.886580 0.475951 11.00000 0.03354 0.02622 = 0.04700 -0.01347 -0.00806 0.00084 AFIX 23 H32A 2 0.626326 0.940335 0.530898 11.00000 -1.20000 H32B 2 0.630906 0.933880 0.413797 11.00000 -1.20000 AFIX 0 C33 1 0.590329 0.783085 0.501117 11.00000 0.03250 0.03405 = 0.03740 -0.00971 -0.00291 -0.00459 AFIX 23 H33A 2 0.497286 0.813869 0.506970 11.00000 -1.20000 H33B 2 0.607453 0.740554 0.566693 11.00000 -1.20000 AFIX 0 C34 1 0.637386 0.695095 0.420621 11.00000 0.02527 0.02986 = 0.03532 -0.00871 -0.00249 -0.00469 AFIX 23 H34A 2 0.615977 0.736671 0.355873 11.00000 -1.20000 H34B 2 0.593592 0.627292 0.439037 11.00000 -1.20000 AFIX 0 N1 3 0.445862 0.747065 0.114338 11.00000 0.03522 0.03766 = 0.07411 -0.02080 -0.02073 0.00010 PART 1 O1 4 0.519883 0.902880 0.233610 10.55000 0.06499 0.07406 = 0.09579 -0.03451 -0.00090 -0.02267 AFIX 147 H1A 2 0.592935 0.882321 0.199348 10.55000 -1.50000 AFIX 0 PART 0 P1 5 0.832500 0.527222 0.317541 11.00000 0.02322 0.02271 = 0.02507 -0.00379 -0.00423 -0.00783 NI1 6 0.711884 0.574852 0.203566 11.00000 0.02398 0.02818 = 0.02638 -0.00373 -0.00578 -0.00921 I1 7 0.796404 0.751977 0.103522 11.00000 0.04058 0.03452 = 0.03653 0.00723 -0.01259 -0.01546 PART 2 O1A 4 0.505327 0.977266 0.127663 10.45000 0.08012 0.03371 = 0.22144 -0.00271 -0.07054 -0.00260 AFIX 83 H1A1 2 0.538072 0.935583 0.079053 10.45000 -1.50000 AFIX 0 C3A 1 0.153993 1.054459 0.181959 10.45000 0.07326 0.03283 = 0.08221 -0.01746 -0.00012 0.01470 AFIX 23 H3A1 2 0.092916 1.104212 0.232139 10.45000 -1.20000 H3A2 2 0.137001 1.091528 0.114874 10.45000 -1.20000 AFIX 0 C4A 1 0.126562 0.940779 0.195909 10.45000 0.06463 0.02881 = 0.08114 -0.00893 -0.02903 0.02509 AFIX 23 H4A1 2 0.051601 0.946668 0.164683 10.45000 -1.20000 H4A2 2 0.100429 0.921535 0.268983 10.45000 -1.20000 AFIX 0 C1A 1 0.386518 0.952948 0.170683 10.45000 0.07720 0.04719 = 0.20652 -0.04016 -0.01875 -0.01011 AFIX 13 H1Z1 2 0.396810 0.912674 0.239155 10.45000 -1.20000 AFIX 0 C5A 1 0.225381 0.836469 0.157771 10.45000 0.05673 0.02547 = 0.06899 0.00165 -0.00389 0.02120 AFIX 23 H5A1 2 0.198154 0.808208 0.102310 10.45000 -1.20000 H5A2 2 0.231620 0.769835 0.212239 10.45000 -1.20000 AFIX 0 C2A 1 0.286957 1.064605 0.188950 10.45000 0.08850 0.03579 = 0.11580 -0.01255 -0.03726 0.00971 AFIX 23 H2A1 2 0.310426 1.130762 0.139521 10.45000 -1.20000 H2A2 2 0.285307 1.087022 0.256655 10.45000 -1.20000 AFIX 0 C6A 1 0.356344 0.863154 0.120039 10.45000 0.05584 0.02688 = 0.12874 -0.00805 -0.01761 0.01007 AFIX 13 H6A 2 0.356297 0.898533 0.048914 10.45000 -1.20000 AFIX 0 PART 0 H10 2 0.554899 0.449617 0.278386 11.00000 0.02316 H9 2 0.598223 0.537648 0.073956 11.00000 0.01510 H8 2 0.456433 0.662048 0.238197 11.00000 0.04837 HKLF 4 REM shelxt_a.res in P-1 REM R1 = 0.0425 for 4966 Fo > 4sig(Fo) and 0.0716 for all 6718 data REM 429 parameters refined using 99 restraints END WGHT 0.0430 2.7843 REM Highest difference peak 0.879, deepest hole -0.593, 1-sigma level 0.099 Q1 1 0.1139 1.0761 -0.0042 11.00000 0.05 0.88 Q2 1 0.3633 0.9776 0.1227 11.00000 0.05 0.84 Q3 1 0.6856 0.9336 0.5873 11.00000 0.05 0.67 Q4 1 0.5446 0.9751 0.0720 11.00000 0.05 0.66 Q5 1 0.4209 0.9255 0.1909 11.00000 0.05 0.61 Q6 1 0.1709 0.7775 0.1898 11.00000 0.05 0.59 Q7 1 0.3552 1.0713 0.1634 11.00000 0.05 0.56 Q8 1 0.8531 0.7789 0.1131 11.00000 0.05 0.55 Q9 1 0.1877 1.0348 0.2472 11.00000 0.05 0.51 Q10 1 0.7523 0.3557 0.4153 11.00000 0.05 0.50 Q11 1 0.3645 0.8791 0.1687 11.00000 0.05 0.48 Q12 1 0.4824 0.7630 0.0623 11.00000 0.05 0.46 Q13 1 0.8221 0.7492 0.1909 11.00000 0.05 0.46 Q14 1 0.7752 0.3340 0.4980 11.00000 0.05 0.45 Q15 1 0.3596 0.8372 0.2336 11.00000 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1.87 9 3 0 3.98 1.32 9 3 0 3.71 1.78 9 3 0 3.21 1.34 9 3 0 4.19 1.90 -10 -3 0 6.88 2.35 -10 -3 0 12.31 2.58 -10 -3 0 13.17 2.37 10 3 0 10.38 2.35 10 3 0 11.23 2.54 10 3 0 9.58 1.71 10 3 0 9.77 1.94 -11 -3 0 -0.23 2.24 -11 -3 0 -1.84 2.33 -11 -3 0 4.60 2.76 11 3 0 -0.87 2.51 11 3 0 2.45 2.38 11 3 0 -5.44 1.81 11 3 0 0.21 1.88 -12 -3 0 6.73 2.86 -12 -3 0 7.18 3.16 -12 -3 0 2.55 2.65 12 3 0 5.01 2.96 12 3 0 4.45 2.29 12 3 0 4.97 2.12 12 3 0 0.61 2.85 -13 -3 0 -0.28 3.10 -13 -3 0 2.06 3.01 -13 -3 0 0.20 3.37 13 3 0 2.09 3.34 13 3 0 -1.54 2.58 13 3 0 1.08 2.37 13 3 0 1.77 3.22 11 -4 0 -2.11 2.58 11 -4 0 4.88 2.67 11 -4 0 2.24 2.94 -11 4 0 -0.77 2.60 -11 4 0 -2.52 2.70 -11 4 0 0.36 2.67 -11 4 0 -1.88 2.60 10 -4 0 8.01 2.77 10 -4 0 9.77 2.81 10 -4 0 6.86 2.46 -10 4 0 6.19 2.54 -10 4 0 6.62 2.62 -10 4 0 5.72 2.33 -10 4 0 6.50 2.70 9 -4 0 20.29 3.14 9 -4 0 15.24 2.66 9 -4 0 15.14 2.59 -9 4 0 16.61 2.69 -9 4 0 17.32 3.00 -9 4 0 16.10 2.62 8 -4 0 49.05 3.58 8 -4 0 48.69 3.90 8 -4 0 46.33 3.81 -8 4 0 48.36 4.46 -8 4 0 45.56 3.98 -8 4 0 52.58 3.97 -8 4 0 50.07 3.19 7 -4 0 17.69 2.62 7 -4 0 22.29 2.86 7 -4 0 25.48 2.65 -7 4 0 15.83 2.20 -7 4 0 15.79 2.20 -7 4 0 16.79 2.38 -7 4 0 19.40 1.74 -7 4 0 19.38 1.48 -7 4 0 18.65 2.81 6 -4 0 30.44 2.53 6 -4 0 34.33 2.54 -6 4 0 21.71 2.55 -6 4 0 38.67 3.24 -6 4 0 34.80 1.79 -6 4 0 32.24 1.75 -6 4 0 30.17 2.37 -6 4 0 26.20 3.09 5 -4 0 34.83 2.41 5 -4 0 39.90 2.49 5 -4 0 36.98 2.40 -5 4 0 30.88 2.48 -5 4 0 36.87 1.62 -5 4 0 36.36 3.02 -5 4 0 40.37 1.77 -5 4 0 37.90 1.66 -5 4 0 32.27 2.45 -5 4 0 35.49 2.32 4 -4 0 1.89 1.02 4 -4 0 2.81 1.01 4 -4 0 2.44 1.04 4 -4 0 3.22 0.99 -4 4 0 2.32 0.63 -4 4 0 3.00 1.11 -4 4 0 2.43 1.00 -4 4 0 1.02 0.93 -4 4 0 3.69 1.12 -4 4 0 2.72 1.15 3 -4 0 39.49 2.10 3 -4 0 43.46 2.18 3 -4 0 35.42 2.18 3 -4 0 38.85 2.35 -3 4 0 39.38 2.48 -3 4 0 37.93 1.74 -3 4 0 38.80 2.21 -3 4 0 42.19 2.22 -3 4 0 38.99 2.29 -3 4 0 41.45 2.44 2 -4 0 1.98 0.83 2 -4 0 2.33 0.66 2 -4 0 3.75 0.79 2 -4 0 2.23 0.92 -2 4 0 3.22 0.83 -2 4 0 1.40 0.73 -2 4 0 2.60 0.66 -2 4 0 2.55 0.90 -2 4 0 1.86 0.87 -2 4 0 2.85 0.96 1 -4 0 15.39 1.32 1 -4 0 13.35 1.66 1 -4 0 14.34 1.36 1 -4 0 14.00 1.59 1 -4 0 13.34 1.34 1 -4 0 15.23 1.00 -1 4 0 13.22 1.62 -1 4 0 14.54 1.10 -1 4 0 15.85 1.49 -1 4 0 14.06 1.34 -1 4 0 14.42 1.38 -1 4 0 16.30 1.37 0 -4 0 196.35 6.01 0 -4 0 197.53 6.57 0 -4 0 188.41 6.40 0 -4 0 192.39 6.32 0 -4 0 190.23 6.58 0 -4 0 196.70 6.46 0 4 0 200.11 6.40 0 4 0 198.61 6.46 0 4 0 195.64 6.61 0 4 0 204.80 6.39 0 4 0 202.87 6.35 -1 -4 0 193.61 6.53 -1 -4 0 196.59 6.24 -1 -4 0 198.44 6.56 -1 -4 0 189.72 6.41 1 4 0 205.76 6.45 1 4 0 193.19 6.58 1 4 0 201.77 6.25 1 4 0 201.39 6.57 1 4 0 195.18 6.42 -2 -4 0 0.03 0.51 -2 -4 0 1.23 0.49 -2 -4 0 -0.39 0.84 -2 -4 0 0.54 0.41 -2 -4 0 0.35 0.72 -2 -4 0 0.00 0.72 -2 -4 0 1.23 0.78 2 4 0 0.13 0.83 2 4 0 -0.11 0.83 2 4 0 0.61 0.81 2 4 0 0.07 0.86 2 4 0 0.35 0.76 2 4 0 0.61 0.59 -3 -4 0 314.11 10.28 -3 -4 0 324.58 10.64 -3 -4 0 330.83 10.62 -3 -4 0 331.52 10.68 -3 -4 0 343.04 10.27 -3 -4 0 340.84 10.56 3 4 0 326.21 10.63 3 4 0 345.04 10.27 3 4 0 337.88 10.28 3 4 0 318.59 10.67 3 4 0 334.57 10.66 -4 -4 0 0.25 0.44 -4 -4 0 -0.01 0.83 -4 -4 0 -0.34 0.67 -4 -4 0 0.47 0.97 -4 -4 0 0.02 0.89 4 4 0 2.09 0.96 4 4 0 1.49 0.78 4 4 0 2.16 0.95 4 4 0 0.88 0.53 4 4 0 0.90 0.69 -5 -4 0 276.77 8.62 -5 -4 0 277.50 9.13 -5 -4 0 274.82 9.29 -5 -4 0 267.52 9.29 5 4 0 282.86 8.68 5 4 0 279.62 9.31 5 4 0 275.62 9.29 5 4 0 277.68 9.00 -6 -4 0 9.36 1.27 -6 -4 0 9.43 1.49 -6 -4 0 13.70 1.18 -6 -4 0 12.84 1.64 -6 -4 0 9.57 1.44 6 4 0 10.89 1.35 6 4 0 11.98 1.55 6 4 0 10.19 1.45 6 4 0 13.27 2.06 -7 -4 0 5.45 1.25 -7 -4 0 3.72 1.40 -7 -4 0 8.29 1.55 -7 -4 0 5.44 1.45 7 4 0 6.32 1.31 7 4 0 5.89 1.43 7 4 0 5.58 1.36 -8 -4 0 0.75 1.33 -8 -4 0 2.78 1.90 -8 -4 0 2.02 1.13 -8 -4 0 1.66 1.32 8 4 0 2.09 1.07 8 4 0 1.88 1.24 8 4 0 3.99 1.35 -9 -4 0 2.27 1.97 -9 -4 0 4.91 2.17 9 4 0 2.63 1.53 9 4 0 1.51 1.65 9 4 0 5.30 1.23 9 4 0 4.65 1.95 -10 -4 0 -1.68 1.93 -10 -4 0 0.96 2.15 -10 -4 0 -1.85 2.07 10 4 0 2.17 2.02 10 4 0 2.24 2.06 10 4 0 -1.23 1.59 10 4 0 3.46 2.23 -11 -4 0 6.04 2.58 -11 -4 0 5.29 2.69 -11 -4 0 4.05 2.43 11 4 0 7.47 2.66 11 4 0 10.33 2.68 11 4 0 5.63 2.05 11 4 0 5.32 2.18 -12 -4 0 -0.42 2.61 -12 -4 0 3.64 3.10 -12 -4 0 -0.05 2.68 12 4 0 -3.02 2.06 12 4 0 1.15 2.66 12 4 0 -1.21 2.77 12 4 0 0.80 2.27 -13 -4 0 0.05 2.96 -13 -4 0 0.78 3.20 -13 -4 0 2.33 3.51 13 4 0 4.20 3.52 13 4 0 7.33 2.99 13 4 0 1.45 3.12 13 4 0 6.81 2.68 11 -5 0 -2.21 2.62 11 -5 0 9.76 3.62 11 -5 0 2.67 3.26 11 -5 0 3.60 2.67 -11 5 0 -1.16 2.86 -11 5 0 1.12 2.91 -11 5 0 1.21 3.22 -11 5 0 0.64 2.82 10 -5 0 -2.82 2.64 10 -5 0 2.51 2.75 10 -5 0 -2.31 2.37 10 -5 0 -0.81 2.28 -10 5 0 -0.23 2.50 -10 5 0 -3.18 2.34 -10 5 0 -0.12 2.40 -10 5 0 -2.78 2.37 9 -5 0 32.11 4.08 9 -5 0 39.46 4.19 9 -5 0 32.90 4.59 -9 5 0 28.18 4.65 -9 5 0 34.10 4.23 -9 5 0 27.36 3.93 -9 5 0 29.62 4.60 8 -5 0 -0.55 1.82 8 -5 0 2.24 1.98 8 -5 0 1.56 1.67 8 -5 0 -2.53 1.96 -8 5 0 0.47 1.92 -8 5 0 0.80 1.99 -8 5 0 0.14 2.01 -8 5 0 -0.71 1.77 7 -5 0 48.19 3.99 7 -5 0 50.10 3.66 7 -5 0 48.28 3.65 7 -5 0 47.35 3.53 -7 5 0 46.05 4.04 -7 5 0 48.71 3.85 -7 5 0 53.56 3.92 -7 5 0 47.29 3.03 6 -5 0 1.84 1.44 6 -5 0 4.05 1.22 6 -5 0 0.90 1.56 6 -5 0 2.04 1.25 -6 5 0 1.25 1.66 -6 5 0 3.62 0.73 -6 5 0 3.19 1.29 -6 5 0 4.10 0.96 -6 5 0 0.12 1.62 -6 5 0 2.44 1.50 5 -5 0 10.09 1.41 5 -5 0 7.78 1.32 5 -5 0 4.87 1.29 5 -5 0 6.33 1.37 -5 5 0 7.11 1.49 -5 5 0 6.70 1.32 -5 5 0 7.94 0.99 -5 5 0 7.57 0.84 -5 5 0 7.09 1.34 -5 5 0 4.27 1.56 4 -5 0 5.46 1.31 4 -5 0 9.01 1.38 4 -5 0 7.30 1.15 4 -5 0 7.92 1.24 -4 5 0 7.27 1.15 -4 5 0 7.00 1.22 -4 5 0 7.64 1.18 -4 5 0 7.55 1.33 -4 5 0 6.71 1.42 3 -5 0 56.00 2.56 3 -5 0 58.68 3.09 3 -5 0 58.41 2.75 3 -5 0 58.16 2.81 -3 5 0 59.07 2.95 -3 5 0 57.22 2.82 -3 5 0 57.97 2.40 -3 5 0 58.01 3.10 -3 5 0 55.98 2.70 2 -5 0 17.77 1.52 2 -5 0 14.58 1.84 2 -5 0 18.43 1.31 2 -5 0 15.69 1.65 -2 5 0 16.54 1.59 -2 5 0 15.78 1.93 -2 5 0 15.00 1.48 -2 5 0 17.03 1.40 -2 5 0 14.07 1.76 -2 5 0 15.65 1.78 1 -5 0 256.64 8.26 1 -5 0 248.24 8.50 1 -5 0 261.52 8.29 1 -5 0 249.97 7.91 -1 5 0 256.48 8.21 -1 5 0 245.78 8.50 -1 5 0 257.16 7.94 -1 5 0 260.76 8.23 -1 5 0 247.03 8.23 0 -5 0 2.16 0.72 0 -5 0 1.58 0.89 0 -5 0 1.57 0.91 0 -5 0 2.77 0.36 0 -5 0 1.99 0.78 0 5 0 2.08 0.85 0 5 0 1.92 0.77 0 5 0 2.42 0.96 0 5 0 2.64 0.81 -1 -5 0 448.39 13.98 -1 -5 0 451.59 14.17 -1 -5 0 445.85 13.82 -1 -5 0 451.38 14.16 1 5 0 439.83 14.19 1 5 0 458.69 14.00 1 5 0 463.35 13.82 1 5 0 437.21 13.97 1 5 0 436.51 14.11 -2 -5 0 86.42 3.53 -2 -5 0 87.01 3.10 -2 -5 0 89.69 3.64 -2 -5 0 89.45 3.08 -2 -5 0 89.79 3.45 2 5 0 88.78 3.71 2 5 0 91.14 3.53 2 5 0 94.53 3.14 2 5 0 85.35 3.65 2 5 0 84.41 3.47 -3 -5 0 146.68 4.58 -3 -5 0 146.36 4.64 -3 -5 0 141.32 5.11 -3 -5 0 150.01 5.16 -3 -5 0 144.10 5.28 3 5 0 146.55 4.72 3 5 0 140.11 5.31 3 5 0 133.99 5.16 3 5 0 141.53 4.62 3 5 0 143.35 5.25 -4 -5 0 42.15 1.58 -4 -5 0 38.54 2.28 -4 -5 0 40.80 2.43 -4 -5 0 43.80 2.56 -4 -5 0 39.95 1.96 4 5 0 36.76 2.33 4 5 0 41.96 2.51 4 5 0 42.12 1.92 4 5 0 37.47 1.89 -5 -5 0 18.64 1.09 -5 -5 0 22.24 2.21 -5 -5 0 18.47 1.99 -5 -5 0 20.28 2.14 5 5 0 20.12 1.66 5 5 0 21.13 1.26 5 5 0 18.77 2.10 5 5 0 23.56 2.06 -6 -5 0 30.15 1.51 -6 -5 0 33.02 2.38 -6 -5 0 27.81 2.39 -6 -5 0 32.39 2.61 6 5 0 32.21 2.16 6 5 0 26.99 2.38 6 5 0 33.28 1.75 6 5 0 29.02 2.48 -7 -5 0 3.92 1.14 -7 -5 0 2.66 1.34 -7 -5 0 1.48 0.72 -7 -5 0 5.25 1.39 -7 -5 0 2.91 1.33 7 5 0 0.86 1.02 7 5 0 3.28 1.26 7 5 0 0.35 1.06 7 5 0 0.61 1.26 -8 -5 0 1.40 1.39 -8 -5 0 -0.45 1.44 -8 -5 0 4.53 1.82 -8 -5 0 -1.68 1.04 8 5 0 -0.94 1.30 8 5 0 1.18 1.58 8 5 0 2.30 1.04 8 5 0 -1.19 1.11 -9 -5 0 19.05 2.64 -9 -5 0 17.43 2.49 -9 -5 0 14.57 1.84 -9 -5 0 15.62 2.39 9 5 0 15.20 2.30 9 5 0 15.04 1.65 9 5 0 14.67 2.39 9 5 0 21.77 2.59 -10 -5 0 2.81 2.30 -10 -5 0 4.82 2.49 -10 -5 0 6.06 2.27 10 5 0 5.96 2.32 10 5 0 4.93 2.16 10 5 0 0.77 1.70 10 5 0 2.34 2.14 -11 -5 0 8.99 2.84 -11 -5 0 17.24 3.11 -11 -5 0 13.22 2.83 11 5 0 12.79 3.12 11 5 0 6.31 2.03 11 5 0 13.88 2.90 11 5 0 16.63 2.91 -12 -5 0 7.97 3.45 -12 -5 0 14.14 3.12 -12 -5 0 10.78 3.10 12 5 0 12.34 2.80 12 5 0 7.69 2.89 12 5 0 10.64 2.58 12 5 0 6.75 3.08 -13 -5 0 0.83 3.12 -13 -5 0 -2.00 3.04 -13 -5 0 3.37 3.69 13 5 0 -0.29 3.00 13 5 0 2.91 2.77 13 5 0 5.79 2.70 13 5 0 1.89 3.61 10 -6 0 0.53 2.51 10 -6 0 -0.75 2.42 10 -6 0 2.11 3.06 10 -6 0 4.73 3.02 -10 6 0 5.30 2.91 -10 6 0 2.19 2.76 -10 6 0 -1.70 2.70 -10 6 0 3.14 2.74 9 -6 0 1.22 2.26 9 -6 0 0.94 2.54 9 -6 0 -0.09 2.30 -9 6 0 -3.41 2.18 -9 6 0 -1.41 2.37 -9 6 0 -0.03 2.29 -9 6 0 0.79 2.36 8 -6 0 1.84 2.01 8 -6 0 -0.39 1.93 8 -6 0 -0.36 2.18 -8 6 0 0.50 2.10 -8 6 0 1.13 1.96 -8 6 0 1.81 2.17 -8 6 0 -1.59 2.03 7 -6 0 8.35 2.05 7 -6 0 5.82 1.72 7 -6 0 7.55 2.02 7 -6 0 5.68 2.14 -7 6 0 7.38 2.26 -7 6 0 4.81 2.03 -7 6 0 7.05 2.05 -7 6 0 4.96 1.99 6 -6 0 6.45 1.94 6 -6 0 3.67 1.36 6 -6 0 2.58 1.50 6 -6 0 4.80 1.73 -6 6 0 2.27 1.65 -6 6 0 6.36 1.71 -6 6 0 3.79 1.85 -6 6 0 5.54 0.86 -6 6 0 5.29 1.40 -6 6 0 2.72 1.54 5 -6 0 0.70 1.48 5 -6 0 -1.04 1.67 5 -6 0 0.20 0.96 5 -6 0 0.19 1.16 -5 6 0 -0.52 1.48 -5 6 0 -0.09 1.12 -5 6 0 1.17 0.79 4 -6 0 13.79 1.82 4 -6 0 16.85 2.07 4 -6 0 16.42 2.00 4 -6 0 16.04 1.71 -4 6 0 16.03 2.01 -4 6 0 12.11 1.54 -4 6 0 19.35 2.73 3 -6 0 -0.40 0.97 3 -6 0 -0.11 0.95 3 -6 0 1.30 0.91 3 -6 0 1.14 0.78 -3 6 0 -0.59 1.07 -3 6 0 0.12 0.78 -3 6 0 0.18 0.92 -3 6 0 0.45 1.03 2 -6 0 63.30 2.80 2 -6 0 57.87 2.83 2 -6 0 60.49 3.19 2 -6 0 58.00 2.44 -2 6 0 57.27 3.00 -2 6 0 64.14 2.93 -2 6 0 60.87 2.72 -2 6 0 56.64 2.82 -2 6 0 65.52 3.27 1 -6 0 1.37 0.93 1 -6 0 3.18 0.84 1 -6 0 1.16 0.82 1 -6 0 2.08 0.52 -1 6 0 0.99 0.99 -1 6 0 1.78 0.93 -1 6 0 1.40 0.64 -1 6 0 1.69 0.87 -1 6 0 2.16 0.88 0 -6 0 158.49 5.93 0 -6 0 161.39 5.53 0 -6 0 157.03 5.57 0 6 0 165.26 5.63 0 6 0 163.86 5.97 0 6 0 162.76 5.74 0 6 0 163.97 5.62 -1 -6 0 25.86 2.06 -1 -6 0 25.79 1.58 -1 -6 0 26.30 1.81 1 6 0 26.86 1.96 1 6 0 26.48 2.07 1 6 0 24.77 2.19 1 6 0 23.95 1.78 -2 -6 0 129.72 4.62 -2 -6 0 125.77 4.76 -2 -6 0 131.08 4.30 -2 -6 0 126.50 4.27 2 6 0 118.71 4.65 2 6 0 123.10 4.28 2 6 0 119.37 4.81 2 6 0 125.97 4.71 2 6 0 128.37 4.90 -3 -6 0 20.59 1.95 -3 -6 0 21.55 2.18 -3 -6 0 21.24 1.38 -3 -6 0 22.90 1.27 -3 -6 0 21.79 1.90 -3 -6 0 21.38 1.12 3 6 0 20.59 2.10 3 6 0 20.90 1.46 3 6 0 21.68 1.12 3 6 0 23.79 2.18 3 6 0 18.74 2.00 -4 -6 0 19.66 1.37 -4 -6 0 18.40 1.91 -4 -6 0 23.81 2.00 -4 -6 0 20.21 2.13 -4 -6 0 20.70 1.13 4 6 0 16.28 2.03 4 6 0 18.50 1.45 4 6 0 17.08 1.89 4 6 0 17.17 1.28 -5 -6 0 23.48 2.12 -5 -6 0 26.21 2.42 -5 -6 0 25.55 2.21 5 6 0 25.57 2.18 5 6 0 23.62 2.32 5 6 0 26.84 1.72 -6 -6 0 2.13 1.20 -6 -6 0 3.51 0.58 -6 -6 0 3.70 1.32 -6 -6 0 2.53 1.18 6 6 0 4.15 1.01 6 6 0 5.25 1.46 6 6 0 4.46 0.72 6 6 0 2.39 1.21 -7 -6 0 4.37 1.74 -7 -6 0 6.74 1.35 -7 -6 0 8.37 1.55 -7 -6 0 2.47 1.51 7 6 0 4.31 0.95 7 6 0 2.95 1.15 7 6 0 5.59 2.43 7 6 0 7.27 1.70 -8 -6 0 61.09 3.39 -8 -6 0 58.02 4.07 -8 -6 0 59.36 3.71 -8 -6 0 54.88 4.07 8 6 0 63.29 4.17 8 6 0 58.10 4.04 8 6 0 59.68 3.33 -9 -6 0 2.28 1.94 -9 -6 0 -0.08 1.38 -9 -6 0 8.98 2.16 -9 -6 0 1.30 2.01 9 6 0 4.96 1.80 9 6 0 1.48 1.81 9 6 0 1.17 1.99 9 6 0 2.55 1.17 -10 -6 0 59.26 4.89 -10 -6 0 62.34 4.26 -10 -6 0 61.51 5.13 -10 -6 0 59.11 4.82 10 6 0 52.69 4.70 10 6 0 58.52 4.89 10 6 0 64.55 4.46 10 6 0 53.17 3.25 -11 -6 0 12.47 3.26 -11 -6 0 10.57 2.98 -11 -6 0 10.24 2.91 11 6 0 11.61 2.85 11 6 0 14.56 2.30 11 6 0 9.60 3.03 11 6 0 12.96 2.98 -12 -6 0 36.22 5.43 -12 -6 0 38.01 5.92 -12 -6 0 38.07 5.21 12 6 0 38.61 5.43 12 6 0 33.70 4.16 12 6 0 41.00 4.75 12 6 0 40.53 5.23 -13 -6 0 7.14 3.31 -13 -6 0 9.21 3.78 -13 -6 0 2.36 3.17 13 6 0 8.72 3.18 13 6 0 10.01 3.66 13 6 0 3.56 2.91 13 6 0 4.59 2.72 9 -7 0 0.91 2.32 9 -7 0 1.42 2.82 9 -7 0 3.05 2.59 -9 7 0 -1.35 2.65 -9 7 0 -2.38 2.67 8 -7 0 6.78 2.38 8 -7 0 5.61 2.53 8 -7 0 4.79 2.67 -8 7 0 6.29 2.49 -8 7 0 4.03 2.66 7 -7 0 6.35 2.18 7 -7 0 4.61 2.24 7 -7 0 1.12 1.84 7 -7 0 0.54 2.06 -7 7 0 1.99 2.04 -7 7 0 2.11 2.33 -7 7 0 3.91 2.04 6 -7 0 27.29 3.74 6 -7 0 30.31 3.05 6 -7 0 24.47 3.37 -6 7 0 38.42 3.77 -6 7 0 31.20 4.09 -6 7 0 29.43 1.82 -6 7 0 24.73 3.09 5 -7 0 16.13 2.30 5 -7 0 14.91 2.10 5 -7 0 15.43 2.17 5 -7 0 18.93 2.41 -5 7 0 13.67 1.93 -5 7 0 17.48 1.73 -5 7 0 13.29 2.18 -5 7 0 13.81 1.86 4 -7 0 23.32 2.73 4 -7 0 20.77 2.02 4 -7 0 24.74 2.34 4 -7 0 22.12 2.89 -4 7 0 24.78 2.41 -4 7 0 25.89 3.40 -4 7 0 20.55 1.85 -4 7 0 19.83 2.51 3 -7 0 63.30 3.29 3 -7 0 61.60 4.43 3 -7 0 66.31 3.22 3 -7 0 67.58 2.94 -3 7 0 66.40 3.48 -3 7 0 71.69 3.53 -3 7 0 67.63 2.98 -3 7 0 66.64 3.24 -3 7 0 65.45 3.97 2 -7 0 21.64 1.54 2 -7 0 26.06 2.07 2 -7 0 23.96 1.97 2 -7 0 19.82 2.37 -2 7 0 22.96 2.02 -2 7 0 21.58 2.76 -2 7 0 22.41 2.25 -2 7 0 24.30 1.99 1 -7 0 37.77 1.68 1 -7 0 36.83 2.63 1 -7 0 33.76 2.25 1 -7 0 41.07 2.29 -1 7 0 38.90 2.33 -1 7 0 39.03 2.32 -1 7 0 37.85 2.83 -1 7 0 40.93 2.44 0 -7 0 5.39 1.00 0 -7 0 4.86 0.98 0 -7 0 3.60 1.15 0 7 0 3.89 1.17 0 7 0 2.83 1.11 0 7 0 3.77 0.98 0 7 0 4.03 1.09 -1 -7 0 13.99 1.65 -1 -7 0 12.70 1.41 -1 -7 0 12.57 1.90 1 7 0 12.87 1.94 1 7 0 13.00 2.01 1 7 0 11.24 1.61 1 7 0 10.98 1.78 -2 -7 0 3.02 0.74 -2 -7 0 3.28 0.81 -2 -7 0 2.75 1.03 -2 -7 0 2.96 0.95 2 7 0 3.96 1.19 2 7 0 4.80 1.14 2 7 0 2.56 1.00 2 7 0 2.49 1.08 -3 -7 0 0.31 0.92 -3 -7 0 -0.71 0.87 -3 -7 0 -0.47 0.63 -3 -7 0 -0.12 0.60 -3 -7 0 0.56 1.17 3 7 0 0.13 1.04 3 7 0 -0.37 1.11 3 7 0 0.16 1.10 3 7 0 0.09 0.91 -4 -7 0 9.33 0.99 -4 -7 0 4.94 1.37 -4 -7 0 7.56 0.83 -4 -7 0 5.91 1.26 -4 -7 0 7.63 1.27 4 7 0 6.65 0.97 4 7 0 7.72 1.44 4 7 0 7.22 1.33 -5 -7 0 17.39 2.37 -5 -7 0 16.81 2.06 -5 -7 0 15.11 2.10 5 7 0 16.71 1.35 5 7 0 10.12 1.59 5 7 0 13.49 2.02 -6 -7 0 21.45 2.43 -6 -7 0 19.44 2.45 -6 -7 0 15.62 2.18 6 7 0 17.98 1.80 6 7 0 26.28 2.99 6 7 0 17.38 2.66 -7 -7 0 11.39 1.72 -7 -7 0 14.52 2.20 -7 -7 0 9.19 1.99 7 7 0 20.06 2.98 7 7 0 13.41 2.01 7 7 0 13.01 1.95 -8 -7 0 36.01 3.92 -8 -7 0 33.10 2.99 -8 -7 0 37.23 3.65 -8 -7 0 37.06 3.11 8 7 0 34.10 2.63 8 7 0 41.76 3.60 8 7 0 36.26 3.58 -9 -7 0 40.13 4.10 -9 -7 0 31.56 3.13 -9 -7 0 35.94 4.09 9 7 0 34.64 3.87 9 7 0 29.57 2.46 9 7 0 33.83 4.13 -10 -7 0 17.53 3.02 -10 -7 0 21.23 3.10 -10 -7 0 18.14 2.92 -10 -7 0 17.05 2.52 10 7 0 29.89 3.89 10 7 0 14.16 2.73 10 7 0 20.82 3.14 10 7 0 19.29 2.30 -11 -7 0 39.61 5.19 -11 -7 0 49.28 4.58 -11 -7 0 52.94 5.11 -11 -7 0 52.62 5.24 11 7 0 36.16 3.86 11 7 0 44.29 4.96 11 7 0 53.73 5.47 11 7 0 47.84 4.91 -12 -7 0 7.28 3.57 -12 -7 0 10.22 3.21 -12 -7 0 7.21 3.20 12 7 0 2.12 3.47 12 7 0 7.82 3.29 12 7 0 8.79 2.53 12 7 0 13.82 3.32 9 -8 0 4.52 2.68 9 -8 0 0.43 3.05 9 -8 0 0.78 2.65 -9 8 0 7.78 3.54 -9 8 0 4.53 2.99 -9 8 0 7.97 2.89 8 -8 0 -2.43 2.41 8 -8 0 0.82 2.25 8 -8 0 1.22 2.69 -8 8 0 1.22 2.83 -8 8 0 0.33 2.19 -8 8 0 -2.16 2.55 7 -8 0 18.30 2.96 7 -8 0 19.16 2.57 7 -8 0 13.68 2.98 -7 8 0 19.09 2.80 -7 8 0 15.54 3.18 -7 8 0 22.54 3.71 6 -8 0 -1.01 1.82 6 -8 0 1.50 2.06 6 -8 0 -1.23 2.02 6 -8 0 0.81 1.75 -6 8 0 2.18 2.01 -6 8 0 1.14 1.83 -6 8 0 2.08 2.42 5 -8 0 32.29 3.92 5 -8 0 42.03 2.66 5 -8 0 35.59 3.09 5 -8 0 28.57 3.41 -5 8 0 37.61 3.55 -5 8 0 36.27 3.33 -5 8 0 36.65 4.35 -5 8 0 32.76 2.28 4 -8 0 21.13 2.54 4 -8 0 11.10 2.06 4 -8 0 20.32 2.00 4 -8 0 14.89 2.18 -4 8 0 17.52 1.99 -4 8 0 18.78 2.68 -4 8 0 26.18 3.54 -4 8 0 22.77 3.68 3 -8 0 83.57 4.63 3 -8 0 85.24 3.53 3 -8 0 81.83 3.99 -3 8 0 92.07 5.00 -3 8 0 88.18 4.16 -3 8 0 88.61 3.71 2 -8 0 39.68 3.21 2 -8 0 38.86 2.49 2 -8 0 36.06 1.98 2 -8 0 35.42 2.42 -2 8 0 39.05 2.43 -2 8 0 30.81 2.59 -2 8 0 39.18 2.85 -2 8 0 41.19 3.41 1 -8 0 1.20 0.93 1 -8 0 1.11 1.03 1 -8 0 1.32 0.57 -1 8 0 0.95 1.28 -1 8 0 0.23 1.02 -1 8 0 0.30 1.42 -1 8 0 0.63 1.00 0 -8 0 35.68 2.69 0 -8 0 36.04 2.35 0 -8 0 37.20 2.24 0 8 0 36.44 2.60 0 8 0 36.38 2.36 0 8 0 37.68 2.61 0 8 0 32.49 3.05 -1 -8 0 27.69 2.08 -1 -8 0 30.96 1.88 -1 -8 0 25.31 2.40 1 8 0 25.91 2.36 1 8 0 23.86 2.30 1 8 0 29.35 2.84 1 8 0 30.00 2.17 -2 -8 0 1.40 0.76 -2 -8 0 2.53 1.02 -2 -8 0 0.95 1.01 -2 -8 0 1.09 0.85 2 8 0 1.10 1.21 2 8 0 1.28 1.04 2 8 0 4.81 1.65 2 8 0 2.07 1.22 -3 -8 0 46.22 2.11 -3 -8 0 42.83 3.05 -3 -8 0 39.47 2.08 -3 -8 0 41.86 2.61 -3 -8 0 43.95 2.76 3 8 0 39.75 2.86 3 8 0 39.34 2.61 3 8 0 44.94 3.26 -4 -8 0 5.89 1.34 -4 -8 0 1.81 1.57 -4 -8 0 3.49 1.23 -4 -8 0 5.38 0.76 4 8 0 1.84 1.29 4 8 0 4.28 1.57 -5 -8 0 60.66 3.36 -5 -8 0 57.98 3.79 -5 -8 0 57.82 3.34 5 8 0 57.04 3.85 5 8 0 57.18 2.38 5 8 0 60.73 3.57 -6 -8 0 26.04 3.15 -6 -8 0 30.93 2.74 -6 -8 0 30.87 2.78 6 8 0 28.67 1.98 6 8 0 24.95 3.35 6 8 0 28.82 3.02 -7 -8 0 43.30 3.22 -7 -8 0 43.37 3.95 -7 -8 0 46.74 3.39 7 8 0 40.95 3.59 7 8 0 46.83 2.65 7 8 0 50.99 4.02 -8 -8 0 16.48 2.65 -8 -8 0 19.11 2.32 -8 -8 0 12.02 2.07 8 8 0 9.98 2.28 8 8 0 16.97 2.59 8 8 0 16.14 2.24 -9 -8 0 11.76 2.63 -9 -8 0 6.55 2.55 -9 -8 0 6.26 2.20 9 8 0 6.12 1.77 9 8 0 9.53 2.70 9 8 0 8.74 2.37 -10 -8 0 5.42 2.67 -10 -8 0 3.66 2.72 -10 -8 0 5.72 2.25 -10 -8 0 8.72 2.68 10 8 0 9.50 2.41 10 8 0 5.36 2.37 10 8 0 5.85 2.88 -11 -8 0 5.14 2.90 -11 -8 0 7.96 2.50 -11 -8 0 5.14 3.03 -11 -8 0 2.67 3.00 11 8 0 5.98 2.77 11 8 0 9.81 2.79 11 8 0 5.59 3.21 -12 -8 0 1.96 3.06 -12 -8 0 -5.08 3.38 -12 -8 0 1.32 2.60 -12 -8 0 -5.38 2.83 12 8 0 5.64 2.40 12 8 0 -0.22 3.32 12 8 0 -2.43 3.16 12 8 0 -2.46 2.61 8 -9 0 5.45 2.60 8 -9 0 4.63 3.10 8 -9 0 0.58 2.78 -8 9 0 2.76 2.95 -8 9 0 1.25 3.25 -8 9 0 2.77 2.64 7 -9 0 0.95 2.18 7 -9 0 6.89 2.77 7 -9 0 7.52 2.93 -7 9 0 4.50 2.97 -7 9 0 6.99 2.74 -7 9 0 4.12 2.40 6 -9 0 26.50 3.41 6 -9 0 26.87 3.49 6 -9 0 28.10 4.16 -6 9 0 31.71 3.30 -6 9 0 30.91 3.88 -6 9 0 24.83 3.47 5 -9 0 3.02 2.18 5 -9 0 -0.96 2.09 -5 9 0 2.10 2.48 -5 9 0 2.82 1.60 -5 9 0 2.04 1.84 4 -9 0 31.70 2.48 4 -9 0 34.48 3.55 4 -9 0 31.36 3.15 4 -9 0 35.34 4.05 -4 9 0 40.02 2.55 -4 9 0 32.33 4.61 -4 9 0 41.80 3.41 3 -9 0 -0.21 0.97 3 -9 0 2.51 1.40 3 -9 0 0.12 1.78 3 -9 0 2.42 1.71 -3 9 0 -0.59 1.13 -3 9 0 -0.15 1.54 -3 9 0 3.04 2.04 2 -9 0 34.73 3.53 2 -9 0 44.16 2.13 2 -9 0 39.98 2.79 2 -9 0 42.49 3.48 -2 9 0 45.60 4.03 -2 9 0 41.45 3.03 -2 9 0 41.42 2.76 1 -9 0 4.95 1.28 1 -9 0 0.62 1.03 1 -9 0 3.51 1.62 -1 9 0 3.50 1.83 -1 9 0 3.35 1.29 -1 9 0 1.13 1.49 -1 9 0 0.83 1.39 0 -9 0 2.15 1.54 0 -9 0 5.93 1.32 0 -9 0 1.61 1.06 0 9 0 2.88 1.62 0 9 0 2.00 1.21 0 9 0 6.88 1.83 0 9 0 4.45 1.51 -1 -9 0 49.37 2.58 -1 -9 0 52.55 2.94 -1 -9 0 49.51 3.54 1 9 0 49.19 3.29 1 9 0 52.35 3.18 1 9 0 55.74 3.82 -2 -9 0 105.79 4.52 -2 -9 0 112.20 4.17 -2 -9 0 101.54 6.56 -2 -9 0 115.28 4.28 2 9 0 112.58 5.31 2 9 0 103.81 5.00 2 9 0 110.83 4.80 -3 -9 0 11.58 1.72 -3 -9 0 11.48 1.57 -3 -9 0 12.25 1.53 -3 -9 0 15.84 2.28 -3 -9 0 14.91 1.64 3 9 0 16.05 2.52 3 9 0 16.25 2.16 3 9 0 11.90 2.00 -4 -9 0 119.39 5.36 -4 -9 0 128.53 5.26 -4 -9 0 126.94 5.77 -4 -9 0 128.78 4.37 4 9 0 130.12 5.75 4 9 0 123.46 5.42 -5 -9 0 3.89 0.86 -5 -9 0 -0.56 1.33 -5 -9 0 4.24 1.97 -5 -9 0 3.21 1.49 5 9 0 2.52 1.56 5 9 0 2.27 1.68 -6 -9 0 67.00 4.49 -6 -9 0 66.25 5.37 -6 -9 0 68.97 3.85 6 9 0 71.77 4.26 6 9 0 74.92 4.80 6 9 0 67.76 2.89 -7 -9 0 10.00 2.42 -7 -9 0 10.65 1.86 -7 -9 0 21.17 3.32 7 9 0 5.82 2.03 7 9 0 4.22 2.12 7 9 0 11.20 1.33 -8 -9 0 11.00 1.93 -8 -9 0 12.56 2.30 -8 -9 0 10.04 2.59 8 9 0 13.65 2.06 8 9 0 10.68 2.63 8 9 0 7.07 2.22 -9 -9 0 -1.31 1.95 -9 -9 0 5.27 2.81 -9 -9 0 4.33 2.58 -9 -9 0 3.86 2.40 9 9 0 3.24 2.31 9 9 0 5.04 2.62 9 9 0 3.42 1.37 -10 -9 0 2.67 2.69 -10 -9 0 1.88 2.67 -10 -9 0 1.75 2.15 -10 -9 0 1.83 2.71 10 9 0 2.56 2.50 10 9 0 2.55 2.90 10 9 0 3.22 2.05 -11 -9 0 1.30 3.13 -11 -9 0 0.32 2.79 -11 -9 0 3.25 2.99 -11 -9 0 -2.04 2.36 11 9 0 -1.88 3.09 11 9 0 1.86 2.46 11 9 0 -0.85 2.60 -12 -9 0 3.25 2.87 -12 -9 0 2.76 3.86 -12 -9 0 2.29 3.65 -12 -9 0 1.47 3.20 12 9 0 3.82 3.02 12 9 0 3.48 3.67 12 9 0 2.15 2.88 7 -10 0 2.99 2.77 7 -10 0 3.44 2.53 7 -10 0 1.48 2.97 -7 10 0 -1.59 3.10 -7 10 0 -0.33 3.36 6 -10 0 5.86 2.11 6 -10 0 1.71 2.63 6 -10 0 2.43 2.51 -6 10 0 5.17 3.14 -6 10 0 3.52 2.31 5 -10 0 2.68 2.33 5 -10 0 0.86 2.28 -5 10 0 2.82 2.10 -5 10 0 -2.40 2.54 4 -10 0 1.16 2.50 4 -10 0 4.19 2.18 -4 10 0 -0.28 1.85 -4 10 0 3.97 2.62 3 -10 0 2.36 2.11 3 -10 0 2.95 1.12 3 -10 0 3.34 1.96 3 -10 0 2.09 1.86 -3 10 0 2.03 2.32 -3 10 0 3.28 1.45 -3 10 0 1.94 1.77 2 -10 0 0.41 1.77 2 -10 0 -1.43 1.31 2 -10 0 -0.40 1.57 2 -10 0 -0.03 0.83 2 -10 0 0.80 0.86 -2 10 0 -0.52 1.54 -2 10 0 3.55 2.24 -2 10 0 1.86 1.37 1 -10 0 0.99 1.80 1 -10 0 -0.58 1.43 1 -10 0 2.13 1.34 -1 10 0 2.62 1.60 -1 10 0 4.12 2.18 -1 10 0 0.11 1.27 0 -10 0 46.58 3.93 0 -10 0 47.51 3.04 0 -10 0 50.05 2.84 0 10 0 37.46 3.76 0 10 0 47.55 4.39 0 10 0 50.35 3.32 -1 -10 0 5.63 1.79 -1 -10 0 6.20 1.20 -1 -10 0 8.00 1.48 1 10 0 5.00 1.64 1 10 0 4.50 1.96 1 10 0 5.21 2.02 -2 -10 0 31.12 2.68 -2 -10 0 32.38 3.42 -2 -10 0 34.30 2.25 -2 -10 0 40.36 2.51 2 10 0 29.75 3.04 2 10 0 33.15 4.10 2 10 0 31.98 3.51 -3 -10 0 43.35 3.05 -3 -10 0 48.20 2.59 -3 -10 0 43.42 2.44 -3 -10 0 41.15 4.04 -3 -10 0 47.46 3.79 3 10 0 47.64 3.89 3 10 0 40.23 3.34 3 10 0 45.11 4.16 -4 -10 0 33.80 3.57 -4 -10 0 39.29 2.09 -4 -10 0 37.76 2.23 -4 -10 0 32.18 2.99 -4 -10 0 33.58 3.67 4 10 0 30.35 3.77 4 10 0 32.90 3.35 -5 -10 0 65.05 3.89 -5 -10 0 60.52 4.20 -5 -10 0 56.07 4.54 5 10 0 57.49 3.97 5 10 0 61.85 4.65 -6 -10 0 6.84 2.37 -6 -10 0 9.23 1.86 -6 -10 0 3.88 1.94 6 10 0 7.67 2.09 6 10 0 3.37 2.25 -7 -10 0 33.91 3.96 -7 -10 0 34.75 4.74 -7 -10 0 32.24 3.40 7 10 0 35.10 4.45 7 10 0 35.02 2.23 7 10 0 33.68 3.90 -8 -10 0 -0.55 2.41 -8 -10 0 1.60 2.20 8 10 0 -1.62 2.38 8 10 0 4.42 2.62 -9 -10 0 -3.08 2.28 -9 -10 0 0.55 2.26 -9 -10 0 1.85 2.55 -9 -10 0 -2.30 2.71 9 10 0 -0.57 2.67 9 10 0 3.20 2.36 -10 -10 0 13.98 3.16 -10 -10 0 7.70 2.58 -10 -10 0 9.52 3.56 -10 -10 0 7.74 2.97 10 10 0 4.17 2.23 10 10 0 3.65 3.24 10 10 0 8.30 2.70 -11 -10 0 7.74 3.38 -11 -10 0 11.54 2.91 -11 -10 0 5.14 3.42 -11 -10 0 2.36 3.15 11 10 0 7.47 3.67 11 10 0 4.90 2.82 11 10 0 2.84 2.52 -6 11 0 3.37 2.74 5 -11 0 -2.31 2.27 5 -11 0 1.71 2.48 -5 11 0 1.91 3.07 -5 11 0 0.73 2.32 4 -11 0 0.61 2.44 4 -11 0 4.82 2.28 -4 11 0 7.54 3.08 -4 11 0 1.31 2.10 3 -11 0 15.07 2.51 3 -11 0 9.17 2.59 -3 11 0 14.13 3.13 -3 11 0 20.11 2.54 2 -11 0 0.61 2.15 2 -11 0 -3.57 1.68 -2 11 0 1.06 1.82 -2 11 0 -1.86 2.45 1 -11 0 11.51 2.07 1 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4 15 20.51 3.64 8 4 15 15.99 3.84 -9 -4 -15 1.80 2.87 2 -5 -15 7.78 3.15 2 -5 -15 7.17 3.16 2 -5 -15 8.11 4.02 -2 5 15 10.71 3.86 -2 5 15 13.20 3.42 -2 5 15 7.82 3.41 -2 5 15 4.61 3.43 1 -5 -15 7.48 3.73 1 -5 -15 6.95 2.89 1 -5 -15 10.72 3.16 1 -5 -15 9.84 3.04 -1 5 15 7.02 3.41 -1 5 15 10.27 3.30 -1 5 15 4.96 3.32 0 -5 -15 1.70 2.76 0 -5 -15 3.95 3.42 0 -5 -15 -2.32 2.51 0 -5 -15 1.90 2.69 0 5 15 -0.35 3.02 0 5 15 4.61 3.06 0 5 15 0.31 2.97 -1 -5 -15 3.96 2.84 -1 -5 -15 0.83 2.52 -1 -5 -15 2.41 2.70 -1 -5 -15 -0.19 2.75 1 5 15 -1.22 2.72 1 5 15 5.42 2.99 1 5 15 3.61 2.82 -2 -5 -15 7.70 2.96 -2 -5 -15 4.41 3.29 -2 -5 -15 7.57 2.68 -2 -5 -15 2.71 2.73 2 5 15 11.05 3.04 2 5 15 6.13 2.88 2 5 15 3.97 3.10 -3 -5 -15 -2.43 2.89 -3 -5 -15 3.10 2.79 -3 -5 -15 0.93 2.43 3 5 15 -1.48 2.59 3 5 15 1.86 2.57 3 5 15 -5.00 2.53 -4 -5 -15 6.37 3.01 -4 -5 -15 6.32 2.84 -4 -5 -15 3.93 2.56 4 5 15 1.60 3.49 4 5 15 8.15 3.04 4 5 15 7.36 2.51 -5 -5 -15 9.68 2.73 -5 -5 -15 10.76 3.33 -5 -5 -15 4.35 2.97 5 5 15 6.72 3.08 5 5 15 14.49 2.62 -6 -5 -15 7.90 2.87 -6 -5 -15 7.05 2.76 -6 -5 -15 6.90 3.28 6 5 15 10.53 3.45 6 5 15 11.51 3.44 6 5 15 6.43 3.11 -7 -5 -15 10.42 3.02 -7 -5 -15 16.49 3.24 -7 -5 -15 10.69 3.65 7 5 15 22.29 3.87 7 5 15 13.86 3.91 7 5 15 16.58 3.72 7 5 15 1.97 3.83 -8 -5 -15 6.54 3.01 -8 -5 -15 5.22 3.64 -8 -5 -15 3.63 3.15 8 5 15 4.48 3.10 8 5 15 8.07 3.68 8 5 15 4.51 3.73 8 5 15 3.17 3.47 1 -6 -15 -5.97 2.68 1 -6 -15 0.25 3.63 1 -6 -15 1.73 2.89 1 -6 -15 -0.23 3.25 -1 6 15 0.94 2.91 -1 6 15 0.82 3.21 -1 6 15 -0.76 3.18 0 -6 -15 1.86 2.98 0 -6 -15 0.17 2.70 0 -6 -15 2.62 2.93 0 -6 -15 1.08 3.29 0 6 15 1.80 3.42 0 6 15 1.96 2.88 0 6 15 -1.09 3.18 -1 -6 -15 8.24 2.88 -1 -6 -15 6.83 3.22 -1 -6 -15 5.42 3.20 -1 -6 -15 2.18 2.80 1 6 15 2.81 3.04 1 6 15 2.82 2.92 1 6 15 3.79 3.19 -2 -6 -15 0.74 2.87 -2 -6 -15 1.02 2.53 -2 -6 -15 0.06 2.64 -2 -6 -15 -1.03 2.95 2 6 15 0.93 2.87 2 6 15 -1.74 2.70 2 6 15 1.20 4.13 -3 -6 -15 15.64 3.45 -3 -6 -15 8.85 2.98 -3 -6 -15 5.16 3.30 -3 -6 -15 9.30 2.82 3 6 15 10.42 3.28 3 6 15 10.02 3.12 3 6 15 8.09 3.20 -4 -6 -15 2.60 3.00 -4 -6 -15 4.95 2.69 -4 -6 -15 2.69 3.08 4 6 15 5.91 2.99 4 6 15 3.59 3.16 4 6 15 7.46 2.68 -5 -6 -15 15.11 3.25 -5 -6 -15 15.26 3.61 -5 -6 -15 16.76 3.10 5 6 15 22.98 3.80 5 6 15 16.51 2.94 5 6 15 11.15 3.36 -6 -6 -15 1.51 2.96 -6 -6 -15 1.84 2.70 -6 -6 -15 0.68 3.27 6 6 15 -1.78 3.04 6 6 15 7.47 3.41 6 6 15 6.03 3.32 6 6 15 3.20 3.12 -7 -6 -15 9.62 3.20 -7 -6 -15 11.66 3.91 -7 -6 -15 9.45 2.98 7 6 15 16.50 4.00 7 6 15 15.45 3.89 7 6 15 12.19 3.46 7 6 15 13.52 3.64 -8 -6 -15 1.97 2.81 -8 -6 -15 1.97 3.18 -8 -6 -15 4.91 3.74 8 6 15 1.40 3.71 8 6 15 10.34 3.67 8 6 15 4.80 3.84 0 -7 -15 9.40 3.62 0 -7 -15 4.04 3.49 0 -7 -15 5.90 3.05 0 -7 -15 -1.01 2.88 0 7 15 8.96 3.15 0 7 15 -0.82 3.31 0 7 15 7.66 3.60 -1 -7 -15 4.38 3.31 -1 -7 -15 7.73 3.00 -1 -7 -15 5.10 3.54 -1 -7 -15 7.35 3.02 1 7 15 1.86 3.45 1 7 15 6.92 3.47 1 7 15 8.80 3.18 -2 -7 -15 13.83 3.47 -2 -7 -15 10.74 3.35 -2 -7 -15 11.90 3.10 -2 -7 -15 15.33 3.76 2 7 15 11.69 3.29 2 7 15 13.26 3.78 2 7 15 10.22 3.40 -3 -7 -15 5.52 2.89 -3 -7 -15 -1.21 2.84 -3 -7 -15 6.49 3.52 -3 -7 -15 0.40 2.90 3 7 15 4.99 2.90 3 7 15 9.14 3.42 3 7 15 5.66 3.37 -4 -7 -15 32.37 4.22 -4 -7 -15 42.83 5.08 -4 -7 -15 34.41 5.54 4 7 15 30.43 4.13 4 7 15 45.46 5.10 4 7 15 26.41 3.86 -5 -7 -15 4.34 3.51 -5 -7 -15 -0.13 2.86 -5 -7 -15 2.71 2.69 5 7 15 4.49 3.33 5 7 15 5.65 3.38 5 7 15 3.09 2.85 5 7 15 1.96 3.20 -6 -7 -15 7.68 3.05 -6 -7 -15 8.41 3.26 -6 -7 -15 8.59 3.64 6 7 15 9.01 3.50 6 7 15 12.54 3.76 6 7 15 11.32 3.83 6 7 15 9.48 3.62 -7 -7 -15 0.65 2.77 -7 -7 -15 -1.33 3.34 -7 -7 -15 -2.55 3.00 7 7 15 -1.15 3.50 7 7 15 1.81 3.64 7 7 15 5.15 3.64 -2 -8 -15 2.41 2.91 -2 -8 -15 2.65 2.97 -2 -8 -15 5.49 3.28 -2 -8 -15 6.15 3.91 2 8 15 0.78 3.58 2 8 15 0.84 2.99 2 8 15 0.34 3.51 -3 -8 -15 1.26 3.66 -3 -8 -15 -0.69 2.97 -3 -8 -15 -0.98 2.89 -3 -8 -15 -1.93 2.74 3 8 15 -4.70 3.07 3 8 15 0.18 3.09 3 8 15 -0.04 3.21 3 8 15 -1.42 2.80 -4 -8 -15 4.65 2.92 -4 -8 -15 1.97 3.00 -4 -8 -15 2.04 3.16 -4 -8 -15 1.42 3.52 4 8 15 2.78 3.43 4 8 15 6.98 3.22 4 8 15 5.14 3.32 4 8 15 -0.21 2.88 -5 -8 -15 4.12 3.25 -5 -8 -15 1.76 3.75 -5 -8 -15 0.85 2.79 5 8 15 6.43 3.51 5 8 15 3.70 3.92 5 8 15 7.67 3.60 -6 -8 -15 1.97 3.80 -6 -8 -15 -5.53 2.48 6 8 15 3.25 3.55 6 8 15 -3.69 3.32 -1 3 -16 -1.61 2.00 1 -3 16 -1.72 2.99 2 -3 16 9.89 3.47 1 2 -16 4.97 2.64 0 2 -16 15.34 3.69 0 2 -16 9.62 2.69 0 -2 16 7.48 3.10 0 -2 16 7.07 3.33 -1 2 -16 24.53 3.90 -1 2 -16 18.67 3.78 1 -2 16 20.00 3.95 1 -2 16 17.52 3.26 -2 2 -16 6.39 2.28 -2 2 -16 8.67 3.37 2 -2 16 4.94 2.73 2 -2 16 5.53 3.17 -3 2 -16 11.44 2.24 -3 2 -16 12.38 3.44 3 -2 16 4.78 3.24 -4 2 -16 -2.34 1.94 -4 2 -16 1.64 3.10 4 -2 16 2.11 3.34 4 -2 16 -0.63 3.17 1 1 -16 5.42 2.67 1 1 -16 4.64 3.27 -1 -1 16 5.02 3.21 -1 -1 16 7.89 3.06 0 1 -16 1.41 3.00 0 1 -16 -0.09 2.59 0 -1 16 2.56 2.68 0 -1 16 1.16 2.99 -1 1 -16 8.92 2.60 -1 1 -16 8.77 3.23 1 -1 16 3.75 2.78 1 -1 16 3.46 3.21 -2 1 -16 -1.93 3.04 -2 1 -16 -2.34 2.26 2 -1 16 1.61 2.98 2 -1 16 0.98 2.74 -3 1 -16 3.51 3.11 -3 1 -16 1.06 2.34 3 -1 16 6.59 3.16 -4 1 -16 -1.24 3.02 -4 1 -16 0.91 2.22 4 -1 16 -2.89 3.17 -5 1 -16 0.33 3.07 -5 1 -16 0.95 2.37 5 -1 16 -4.73 2.95 5 -1 16 2.63 3.15 2 0 -16 7.39 2.97 1 0 -16 -4.23 3.01 1 0 -16 0.09 2.65 -1 0 16 -2.14 2.86 -1 0 16 1.47 2.89 0 0 -16 1.89 3.04 0 0 -16 3.11 2.63 0 0 16 1.93 3.03 0 0 16 -0.08 2.78 -1 0 -16 -2.12 2.84 -1 0 -16 0.98 2.50 1 0 16 -4.36 2.72 1 0 16 -1.39 2.86 -2 0 -16 1.11 2.51 -2 0 -16 2.14 2.89 2 0 16 1.76 3.09 2 0 16 -2.74 2.58 -3 0 -16 -1.12 2.77 -3 0 -16 -0.07 2.72 3 0 16 1.06 3.65 3 0 16 -3.44 3.02 -4 0 -16 0.46 2.35 -4 0 -16 3.56 3.03 4 0 16 3.77 3.09 -5 0 -16 -1.71 2.67 -5 0 -16 0.63 3.44 5 0 16 -2.61 2.84 5 0 16 0.40 3.17 -6 0 -16 8.73 3.20 -6 0 -16 6.04 2.73 6 0 16 4.26 3.02 6 0 16 8.09 3.47 2 -1 -16 -0.64 2.81 1 -1 -16 0.00 2.72 1 -1 -16 0.20 3.78 -1 1 16 -0.03 3.06 -1 1 16 4.70 2.98 0 -1 -16 1.81 3.00 0 -1 -16 -1.71 2.47 0 1 16 3.24 2.93 0 1 16 -1.28 2.82 -1 -1 -16 -1.11 2.94 -1 -1 -16 1.70 2.51 1 1 16 -0.64 2.91 1 1 16 0.64 2.73 -2 -1 -16 4.36 2.95 -2 -1 -16 2.15 2.48 2 1 16 2.61 3.19 2 1 16 9.67 2.80 -3 -1 -16 2.75 2.75 -3 -1 -16 3.98 2.53 3 1 16 2.43 2.53 3 1 16 3.43 3.27 -4 -1 -16 1.41 2.86 -4 -1 -16 2.52 2.50 4 1 16 3.54 3.19 -5 -1 -16 7.89 2.84 -5 -1 -16 5.56 3.06 5 1 16 9.73 3.50 5 1 16 7.92 3.26 -6 -1 -16 -1.05 2.86 -6 -1 -16 0.13 2.60 6 1 16 -0.65 3.01 6 1 16 -4.07 2.84 -7 -1 -16 0.59 2.64 7 1 16 7.91 3.37 2 -2 -16 2.01 2.95 1 -2 -16 11.79 3.34 1 -2 -16 9.81 2.99 1 -2 -16 11.61 4.26 -1 2 16 3.85 3.29 -1 2 16 14.29 3.53 0 -2 -16 1.89 2.61 0 -2 -16 2.71 3.78 0 2 16 -0.22 3.06 0 2 16 3.73 3.03 -1 -2 -16 47.76 5.54 -1 -2 -16 37.67 4.86 1 2 16 32.96 5.37 1 2 16 38.41 5.30 -2 -2 -16 0.68 2.55 -2 -2 -16 -1.65 2.85 2 2 16 0.22 2.67 2 2 16 -2.23 3.07 -3 -2 -16 30.20 4.45 -3 -2 -16 22.93 3.60 3 2 16 22.59 3.24 3 2 16 22.93 3.78 -4 -2 -16 3.98 2.55 -4 -2 -16 4.16 2.74 4 2 16 1.28 3.08 -5 -2 -16 11.81 2.89 -5 -2 -16 9.21 3.31 5 2 16 7.89 3.09 -6 -2 -16 11.45 3.38 -6 -2 -16 9.95 2.89 6 2 16 4.39 2.87 6 2 16 10.88 3.54 -7 -2 -16 2.11 2.76 -7 -2 -16 -1.32 2.88 7 2 16 4.64 3.32 7 2 16 -4.89 3.10 1 -3 -16 4.66 4.26 1 -3 -16 2.70 2.86 1 -3 -16 7.90 3.19 -1 3 16 4.75 3.45 -1 3 16 6.05 3.35 -1 3 16 8.23 3.45 0 -3 -16 2.42 2.72 0 -3 -16 11.20 4.03 0 -3 -16 6.49 3.13 0 3 16 2.21 3.17 0 3 16 6.75 3.47 -1 -3 -16 12.29 4.06 -1 -3 -16 3.38 2.66 1 3 16 4.96 3.35 1 3 16 5.36 3.04 -2 -3 -16 6.07 2.80 -2 -3 -16 7.95 3.08 -2 -3 -16 13.44 2.97 2 3 16 9.91 3.27 2 3 16 18.71 3.37 -3 -3 -16 0.17 2.90 -3 -3 -16 2.69 2.64 -3 -3 -16 1.63 2.91 3 3 16 3.96 2.98 3 3 16 2.89 2.76 -4 -3 -16 15.52 3.01 -4 -3 -16 16.20 3.55 -4 -3 -16 14.19 3.31 4 3 16 18.78 2.95 4 3 16 13.32 3.29 -5 -3 -16 4.93 2.96 -5 -3 -16 3.45 3.33 -5 -3 -16 3.59 2.68 5 3 16 5.04 3.04 -6 -3 -16 5.26 3.15 -6 -3 -16 4.06 2.86 6 3 16 6.12 3.14 6 3 16 1.25 3.17 -7 -3 -16 3.37 3.13 -7 -3 -16 6.96 3.43 7 3 16 3.88 3.53 7 3 16 4.80 3.22 1 -4 -16 -2.33 2.75 -1 4 16 -1.73 3.44 -1 4 16 -1.79 3.44 0 -4 -16 6.18 3.96 0 -4 -16 4.70 2.90 0 -4 -16 6.86 3.07 0 4 16 4.07 3.41 0 4 16 6.04 3.27 0 4 16 1.79 3.31 -1 -4 -16 -2.94 3.37 -1 -4 -16 2.76 2.70 -1 -4 -16 1.22 2.66 -1 -4 -16 5.56 3.01 1 4 16 1.58 3.09 1 4 16 9.18 3.26 1 4 16 2.32 3.14 -2 -4 -16 1.29 3.44 -2 -4 -16 -1.30 2.54 -2 -4 -16 1.08 2.87 2 4 16 5.03 3.06 2 4 16 6.07 3.18 -3 -4 -16 6.17 3.15 -3 -4 -16 1.41 2.87 -3 -4 -16 -0.86 2.51 3 4 16 -1.06 2.79 3 4 16 0.29 2.70 -4 -4 -16 2.11 2.54 -4 -4 -16 2.19 3.17 -4 -4 -16 1.36 3.02 4 4 16 2.98 2.69 4 4 16 5.33 3.06 -5 -4 -16 0.98 2.43 -5 -4 -16 1.21 3.58 -5 -4 -16 -1.27 2.81 5 4 16 0.78 2.48 5 4 16 1.89 2.97 -6 -4 -16 -0.97 2.61 -6 -4 -16 1.52 3.42 -6 -4 -16 2.75 2.83 6 4 16 -3.64 2.95 6 4 16 -0.91 3.24 -7 -4 -16 0.80 3.73 -7 -4 -16 1.71 3.14 -7 -4 -16 0.91 2.87 7 4 16 -3.12 3.13 7 4 16 1.22 3.50 7 4 16 -3.89 3.35 0 -5 -16 -3.38 2.86 0 -5 -16 5.90 2.94 0 -5 -16 -0.82 3.56 0 -5 -16 0.17 2.76 0 5 16 5.02 3.38 0 5 16 -4.91 3.07 0 5 16 1.38 3.63 -1 -5 -16 2.27 3.11 -1 -5 -16 1.47 3.41 -1 -5 -16 0.14 3.05 -1 -5 -16 1.72 2.70 1 5 16 0.39 3.09 1 5 16 1.09 3.11 1 5 16 2.62 3.27 -2 -5 -16 -2.74 3.34 -2 -5 -16 1.81 2.63 -2 -5 -16 -1.35 3.02 -2 -5 -16 0.93 2.89 2 5 16 -1.00 3.13 2 5 16 -2.99 2.84 2 5 16 2.68 3.32 -3 -5 -16 0.76 3.41 -3 -5 -16 7.31 2.86 -3 -5 -16 7.29 3.32 3 5 16 6.69 3.34 3 5 16 6.82 3.10 3 5 16 -0.32 2.85 -4 -5 -16 3.30 2.65 -4 -5 -16 0.20 3.35 -4 -5 -16 -0.12 2.79 4 5 16 1.42 3.13 4 5 16 1.50 2.96 4 5 16 -0.98 2.71 -5 -5 -16 2.58 2.98 -5 -5 -16 9.69 3.02 -5 -5 -16 7.73 4.57 5 5 16 6.56 3.39 5 5 16 6.74 2.90 5 5 16 10.94 3.64 -6 -5 -16 5.23 3.67 -6 -5 -16 1.87 2.89 -6 -5 -16 3.97 2.79 6 5 16 2.31 3.48 6 5 16 -3.75 2.99 6 5 16 -2.53 3.45 -7 -5 -16 3.07 3.01 -1 -6 -16 0.94 2.84 1 6 16 -2.34 3.40 1 6 16 -7.47 3.09 -2 -6 -16 -2.05 3.49 -2 -6 -16 3.38 3.09 -2 -6 -16 0.40 2.72 -2 -6 -16 -2.82 3.38 2 6 16 2.30 3.43 2 6 16 -1.23 3.05 2 6 16 1.00 3.24 -3 -6 -16 -1.41 2.71 -3 -6 -16 0.65 3.41 -3 -6 -16 -2.44 3.15 3 6 16 -4.00 3.21 3 6 16 4.70 3.24 3 6 16 0.51 2.89 -4 -6 -16 23.26 3.96 -4 -6 -16 21.42 3.48 -4 -6 -16 20.29 3.94 4 6 16 19.78 3.93 4 6 16 19.74 3.43 4 6 16 14.72 3.87 -5 -6 -16 2.84 3.46 -5 -6 -16 0.80 2.67 -5 -6 -16 1.10 3.08 5 6 16 -1.85 3.13 5 6 16 3.19 2.93 5 6 16 -3.57 3.42 -6 -6 -16 32.73 5.25 -6 -6 -16 11.85 4.17 6 6 16 28.98 4.51 6 6 16 21.44 4.17 -2 -1 -17 -2.05 2.56 2 1 17 -0.45 3.44 -3 -1 -17 5.96 2.83 3 1 17 2.14 3.47 -2 -2 -17 12.73 3.17 2 2 17 10.15 3.35 2 2 17 5.32 3.58 -3 -2 -17 1.64 3.06 -3 -2 -17 -3.57 2.61 3 2 17 -1.49 3.21 3 2 17 3.66 3.26 -4 -2 -17 11.82 3.05 4 2 17 10.96 3.66 -2 -3 -17 9.04 3.08 -3 -3 -17 14.79 3.65 -3 -3 -17 14.17 3.22 3 3 17 13.31 3.74 -4 -3 -17 5.00 2.83 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 28993 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.4293(9) 0.9507(8) 0.1674(8) 0.055(3) Uani 0.55 1 d D U P A 1 H1 H 0.4660 0.9797 0.0977 0.066 Uiso 0.55 1 calc R U P A 1 C2 C 0.3385(11) 1.0481(9) 0.2299(9) 0.077(4) Uani 0.55 1 d D . P A 1 H2A H 0.3264 1.0159 0.3014 0.092 Uiso 0.55 1 calc R U P A 1 H2B H 0.3779 1.1182 0.2237 0.092 Uiso 0.55 1 calc R U P A 1 C3 C 0.2137(11) 1.0889(10) 0.1990(12) 0.083(5) Uani 0.55 1 d D . P A 1 H3A H 0.2251 1.1334 0.1315 0.100 Uiso 0.55 1 calc R U P A 1 H3B H 0.1584 1.1464 0.2460 0.100 Uiso 0.55 1 calc R U P A 1 C4 C 0.1454(10) 0.9897(10) 0.1955(12) 0.074(5) Uani 0.55 1 d D U P A 1 H4A H 0.0681 1.0249 0.1660 0.089 Uiso 0.55 1 calc R U P A 1 H4B H 0.1184 0.9549 0.2647 0.089 Uiso 0.55 1 calc R U P A 1 C5 C 0.2304(10) 0.8893(11) 0.1334(11) 0.075(4) Uani 0.55 1 d D . P A 1 H5A H 0.1853 0.8238 0.1360 0.090 Uiso 0.55 1 calc R U P A 1 H5B H 0.2510 0.9216 0.0624 0.090 Uiso 0.55 1 calc R U P A 1 C6 C 0.3512(7) 0.8404(7) 0.1755(5) 0.0219(18) Uani 0.55 1 d D . P A 1 H6 H 0.3311 0.8066 0.2469 0.026 Uiso 0.55 1 calc R U P A 1 C7 C 0.4827(6) 0.7499(5) 0.0072(5) 0.0612(17) Uani 1 1 d . . . . . H7A H 0.5757 0.7283 -0.0107 0.092 Uiso 1 1 calc R U . . . H7B H 0.4511 0.8313 -0.0234 0.092 Uiso 1 1 calc R U . . . H7C H 0.4465 0.6921 -0.0175 0.092 Uiso 1 1 calc R U . . . C8 C 0.4931(4) 0.6521(4) 0.1699(4) 0.0380(11) Uani 1 1 d . . . . . C9 C 0.5745(4) 0.5461(4) 0.1403(4) 0.0284(9) Uani 1 1 d . . . . . C10 C 0.6126(4) 0.4516(4) 0.2160(3) 0.0294(9) Uani 1 1 d . . . . . C11 C 0.6808(4) 0.3305(4) 0.1874(3) 0.0281(9) Uani 1 1 d . . . . . C12 C 0.7882(4) 0.3150(4) 0.1123(3) 0.0297(9) Uani 1 1 d . . . . . H12 H 0.8179 0.3839 0.0789 0.036 Uiso 1 1 calc R U . . . C13 C 0.8523(5) 0.2021(4) 0.0853(4) 0.0413(11) Uani 1 1 d . . . . . H13 H 0.9261 0.1935 0.0343 0.050 Uiso 1 1 calc R U . . . C14 C 0.8094(5) 0.1007(4) 0.1326(4) 0.0471(13) Uani 1 1 d . . . . . H14 H 0.8528 0.0226 0.1136 0.057 Uiso 1 1 calc R U . . . C15 C 0.7051(5) 0.1140(4) 0.2060(4) 0.0458(13) Uani 1 1 d . . . . . H15 H 0.6758 0.0447 0.2386 0.055 Uiso 1 1 calc R U . . . C16 C 0.6408(5) 0.2269(4) 0.2340(3) 0.0369(11) Uani 1 1 d . . . . . H16 H 0.5680 0.2341 0.2859 0.044 Uiso 1 1 calc R U . . . C17 C 1.0026(4) 0.5253(4) 0.2653(3) 0.0245(9) Uani 1 1 d . . . . . H17 H 1.0057 0.6117 0.2439 0.029 Uiso 1 1 calc R U . . . C18 C 1.0503(4) 0.4615(4) 0.1700(3) 0.0262(9) Uani 1 1 d . . . . . H18A H 1.0484 0.3750 0.1858 0.031 Uiso 1 1 calc R U . . . H18B H 0.9933 0.4969 0.1211 0.031 Uiso 1 1 calc R U . . . C19 C 1.1848(4) 0.4731(4) 0.1238(3) 0.0324(10) Uani 1 1 d . . . . . H19A H 1.2155 0.4255 0.0649 0.039 Uiso 1 1 calc R U . . . H19B H 1.1845 0.5587 0.1000 0.039 Uiso 1 1 calc R U . . . C20 C 1.2744(4) 0.4293(4) 0.1979(3) 0.0350(10) Uani 1 1 d . . . . . H20A H 1.3600 0.4418 0.1661 0.042 Uiso 1 1 calc R U . . . H20B H 1.2813 0.3417 0.2167 0.042 Uiso 1 1 calc R U . . . C21 C 1.2275(4) 0.4963(4) 0.2914(3) 0.0326(10) Uani 1 1 d . . . . . H21A H 1.2275 0.5830 0.2735 0.039 Uiso 1 1 calc R U . . . H21B H 1.2856 0.4639 0.3400 0.039 Uiso 1 1 calc R U . . . C22 C 1.0938(4) 0.4828(4) 0.3398(3) 0.0275(9) Uani 1 1 d . . . . . H22A H 1.0631 0.5309 0.3984 0.033 Uiso 1 1 calc R U . . . H22B H 1.0955 0.3971 0.3640 0.033 Uiso 1 1 calc R U . . . C23 C 0.8378(4) 0.3884(4) 0.4072(3) 0.0268(9) Uani 1 1 d . . . . . H23 H 0.8925 0.3945 0.4554 0.032 Uiso 1 1 calc R U . . . C24 C 0.9011(4) 0.2714(3) 0.3570(3) 0.0290(9) Uani 1 1 d . . . . . H24A H 0.8517 0.2626 0.3067 0.035 Uiso 1 1 calc R U . . . H24B H 0.9879 0.2761 0.3214 0.035 Uiso 1 1 calc R U . . . C25 C 0.9088(4) 0.1613(4) 0.4342(3) 0.0349(10) Uani 1 1 d . . . . . H25A H 0.9450 0.0873 0.3990 0.042 Uiso 1 1 calc R U . . . H25B H 0.9666 0.1656 0.4795 0.042 Uiso 1 1 calc R U . . . C26 C 0.7809(4) 0.1536(4) 0.4952(3) 0.0356(10) Uani 1 1 d . . . . . H26A H 0.7905 0.0840 0.5470 0.043 Uiso 1 1 calc R U . . . H26B H 0.7256 0.1403 0.4512 0.043 Uiso 1 1 calc R U . . . C27 C 0.7193(5) 0.2687(4) 0.5457(3) 0.0350(10) Uani 1 1 d . . . . . H27A H 0.7703 0.2772 0.5950 0.042 Uiso 1 1 calc R U . . . H27B H 0.6333 0.2634 0.5826 0.042 Uiso 1 1 calc R U . . . C28 C 0.7092(4) 0.3795(4) 0.4699(3) 0.0315(10) Uani 1 1 d . . . . . H28A H 0.6506 0.3754 0.4252 0.038 Uiso 1 1 calc R U . . . H28B H 0.6731 0.4529 0.5059 0.038 Uiso 1 1 calc R U . . . C29 C 0.7814(4) 0.6454(3) 0.4083(3) 0.0256(9) Uani 1 1 d . . . . . H29 H 0.8000 0.6050 0.4749 0.031 Uiso 1 1 calc R U . . . C30 C 0.8478(4) 0.7509(4) 0.3824(3) 0.0309(10) Uani 1 1 d . . . . . H30A H 0.8331 0.7917 0.3158 0.037 Uiso 1 1 calc R U . . . H30B H 0.9406 0.7199 0.3786 0.037 Uiso 1 1 calc R U . . . C31 C 0.7985(4) 0.8418(4) 0.4610(4) 0.0361(11) Uani 1 1 d . . . . . H31A H 0.8229 0.8035 0.5258 0.043 Uiso 1 1 calc R U . . . H31B H 0.8391 0.9115 0.4398 0.043 Uiso 1 1 calc R U . . . C32 C 0.6549(4) 0.8866(4) 0.4760(4) 0.0358(11) Uani 1 1 d . . . . . H32A H 0.6263 0.9403 0.5309 0.043 Uiso 1 1 calc R U . . . H32B H 0.6309 0.9339 0.4138 0.043 Uiso 1 1 calc R U . . . C33 C 0.5903(4) 0.7831(4) 0.5011(3) 0.0350(10) Uani 1 1 d . . . . . H33A H 0.4973 0.8139 0.5070 0.042 Uiso 1 1 calc R U . . . H33B H 0.6075 0.7406 0.5667 0.042 Uiso 1 1 calc R U . . . C34 C 0.6374(4) 0.6951(4) 0.4206(3) 0.0303(9) Uani 1 1 d . . . . . H34A H 0.6160 0.7367 0.3559 0.036 Uiso 1 1 calc R U . . . H34B H 0.5936 0.6273 0.4390 0.036 Uiso 1 1 calc R U . . . N1 N 0.4459(4) 0.7471(4) 0.1143(4) 0.0473(11) Uani 1 1 d . . . . . O1 O 0.5199(8) 0.9029(8) 0.2336(7) 0.076(2) Uani 0.55 1 d . . P A 1 H1A H 0.5929 0.8823 0.1993 0.115 Uiso 0.55 1 calc R U P A 1 P1 P 0.83250(10) 0.52722(9) 0.31754(8) 0.0230(2) Uani 1 1 d . . . . . Ni1 Ni 0.71188(5) 0.57485(5) 0.20357(4) 0.02528(13) Uani 1 1 d . . . . . I1 I 0.79640(3) 0.75198(3) 0.10352(2) 0.03616(11) Uani 1 1 d . . . . . O1A O 0.5053(8) 0.9773(8) 0.1277(12) 0.108(4) Uani 0.45 1 d D U P A 2 H1A1 H 0.5381 0.9356 0.0791 0.162 Uiso 0.45 1 calc R U P A 2 C3A C 0.1540(12) 1.0545(11) 0.1820(14) 0.068(4) Uani 0.45 1 d D U P A 2 H3A1 H 0.0929 1.1042 0.2321 0.082 Uiso 0.45 1 calc R U P A 2 H3A2 H 0.1370 1.0915 0.1149 0.082 Uiso 0.45 1 calc R U P A 2 C4A C 0.1266(10) 0.9408(12) 0.1959(15) 0.062(4) Uani 0.45 1 d D U P A 2 H4A1 H 0.0516 0.9467 0.1647 0.074 Uiso 0.45 1 calc R U P A 2 H4A2 H 0.1004 0.9215 0.2690 0.074 Uiso 0.45 1 calc R U P A 2 C1A C 0.3865(10) 0.9529(12) 0.1707(16) 0.109(7) Uani 0.45 1 d D U P A 2 H1Z1 H 0.3968 0.9127 0.2392 0.131 Uiso 0.45 1 calc R U P A 2 C5A C 0.2254(11) 0.8365(9) 0.1578(13) 0.057(4) Uani 0.45 1 d D U P A 2 H5A1 H 0.1982 0.8082 0.1023 0.069 Uiso 0.45 1 calc R U P A 2 H5A2 H 0.2316 0.7698 0.2122 0.069 Uiso 0.45 1 calc R U P A 2 C2A C 0.2870(11) 1.0646(10) 0.1890(15) 0.081(5) Uani 0.45 1 d D U P A 2 H2A1 H 0.3104 1.1308 0.1395 0.097 Uiso 0.45 1 calc R U P A 2 H2A2 H 0.2853 1.0870 0.2567 0.097 Uiso 0.45 1 calc R U P A 2 C6A C 0.3563(9) 0.8632(10) 0.1200(13) 0.074(4) Uani 0.45 1 d D U P A 2 H6A H 0.3563 0.8985 0.0489 0.088 Uiso 0.45 1 calc R U P A 2 H10 H 0.555(4) 0.450(3) 0.278(3) 0.023(10) Uiso 1 1 d . . . . . H9 H 0.598(3) 0.538(3) 0.074(3) 0.015(10) Uiso 1 1 d . . . . . H8 H 0.456(5) 0.662(4) 0.238(4) 0.048(15) Uiso 1 1 d . . . . . 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 C1 0.065(8) 0.022(5) 0.050(6) -0.006(4) 0.032(6) 0.010(5) C2 0.114(11) 0.031(6) 0.073(9) -0.020(6) -0.025(8) 0.024(6) C3 0.056(9) 0.089(10) 0.116(12) -0.065(9) -0.019(9) -0.005(8) C4 0.066(8) 0.025(8) 0.112(11) -0.009(9) -0.005(7) 0.020(6) C5 0.055(8) 0.074(10) 0.086(10) -0.019(9) -0.037(7) 0.032(7) C6 0.027(4) 0.024(4) 0.010(4) -0.004(3) -0.004(3) 0.004(3) C7 0.062(4) 0.031(3) 0.101(5) 0.006(3) -0.050(4) -0.009(3) C8 0.021(2) 0.042(3) 0.058(3) -0.022(3) -0.006(2) -0.009(2) C9 0.020(2) 0.036(2) 0.034(3) -0.012(2) -0.0047(18) -0.0088(18) C10 0.028(2) 0.044(3) 0.022(2) -0.0047(19) -0.0040(18) -0.019(2) C11 0.036(2) 0.029(2) 0.027(2) 0.0028(18) -0.0163(19) -0.0161(19) C12 0.036(2) 0.028(2) 0.027(2) 0.0025(18) -0.0088(19) -0.0122(19) C13 0.044(3) 0.036(3) 0.044(3) 0.001(2) -0.018(2) -0.006(2) C14 0.062(4) 0.027(3) 0.056(3) 0.001(2) -0.028(3) -0.007(2) C15 0.071(4) 0.033(3) 0.047(3) 0.012(2) -0.033(3) -0.026(3) C16 0.047(3) 0.045(3) 0.028(2) 0.006(2) -0.012(2) -0.028(2) C17 0.022(2) 0.024(2) 0.029(2) -0.0031(17) -0.0040(17) -0.0078(16) C18 0.025(2) 0.027(2) 0.028(2) -0.0041(17) -0.0044(17) -0.0083(17) C19 0.033(2) 0.034(2) 0.032(2) -0.0111(19) 0.0013(19) -0.0121(19) C20 0.023(2) 0.044(3) 0.040(3) -0.010(2) -0.0017(19) -0.011(2) C21 0.031(2) 0.036(2) 0.036(3) -0.005(2) -0.0100(19) -0.0136(19) C22 0.026(2) 0.030(2) 0.028(2) -0.0036(18) -0.0045(17) -0.0087(18) C23 0.031(2) 0.029(2) 0.026(2) -0.0001(17) -0.0101(18) -0.0136(18) C24 0.032(2) 0.024(2) 0.032(2) -0.0001(18) -0.0068(19) -0.0106(18) C25 0.039(3) 0.026(2) 0.041(3) -0.001(2) -0.010(2) -0.0084(19) C26 0.042(3) 0.035(3) 0.032(3) 0.004(2) -0.010(2) -0.014(2) C27 0.045(3) 0.035(2) 0.028(2) -0.0012(19) -0.006(2) -0.016(2) C28 0.035(2) 0.034(2) 0.028(2) -0.0054(19) 0.0000(19) -0.0153(19) C29 0.027(2) 0.023(2) 0.026(2) -0.0058(17) -0.0033(17) -0.0051(17) C30 0.031(2) 0.029(2) 0.035(2) -0.0061(19) -0.0043(19) -0.0091(18) C31 0.035(3) 0.027(2) 0.048(3) -0.012(2) -0.005(2) -0.0074(19) C32 0.034(2) 0.026(2) 0.047(3) -0.013(2) -0.008(2) 0.0008(19) C33 0.033(2) 0.034(2) 0.037(3) -0.010(2) -0.003(2) -0.005(2) C34 0.025(2) 0.030(2) 0.035(2) -0.0087(19) -0.0025(18) -0.0047(18) N1 0.035(2) 0.038(2) 0.074(3) -0.021(2) -0.021(2) 0.0001(18) O1 0.065(5) 0.074(5) 0.096(6) -0.035(5) -0.001(5) -0.023(5) P1 0.0232(5) 0.0227(5) 0.0251(6) -0.0038(4) -0.0042(4) -0.0078(4) Ni1 0.0240(3) 0.0282(3) 0.0264(3) -0.0037(2) -0.0058(2) -0.0092(2) I1 0.04058(18) 0.03452(17) 0.03653(18) 0.00723(12) -0.01259(13) -0.01546(13) O1A 0.080(6) 0.034(5) 0.221(13) -0.003(7) -0.071(7) -0.003(5) C3A 0.073(8) 0.033(7) 0.082(11) -0.017(7) 0.000(7) 0.015(6) C4A 0.065(7) 0.029(7) 0.081(9) -0.009(6) -0.029(6) 0.025(5) C1A 0.077(8) 0.047(8) 0.207(17) -0.040(9) -0.019(8) -0.010(6) C5A 0.057(6) 0.025(6) 0.069(9) 0.002(5) -0.004(6) 0.021(5) C2A 0.088(8) 0.036(7) 0.116(15) -0.013(8) -0.037(8) 0.010(6) C6A 0.056(7) 0.027(6) 0.129(12) -0.008(8) -0.018(7) 0.010(5) 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' Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 '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 C1 C2 99.5(8) . . ? O1 C1 C6 103.5(7) . . ? C2 C1 C6 105.7(7) . . ? O1 C1 H1 115.4 . . ? C2 C1 H1 115.4 . . ? C6 C1 H1 115.4 . . ? C3 C2 C1 113.1(9) . . ? C3 C2 H2A 109.0 . . ? C1 C2 H2A 109.0 . . ? C3 C2 H2B 109.0 . . ? C1 C2 H2B 109.0 . . ? H2A C2 H2B 107.8 . . ? C2 C3 C4 115.5(10) . . ? C2 C3 H3A 108.4 . . ? C4 C3 H3A 108.4 . . ? C2 C3 H3B 108.4 . . ? C4 C3 H3B 108.4 . . ? H3A C3 H3B 107.5 . . ? C3 C4 C5 111.7(8) . . ? C3 C4 H4A 109.3 . . ? C5 C4 H4A 109.3 . . ? C3 C4 H4B 109.3 . . ? C5 C4 H4B 109.3 . . ? H4A C4 H4B 107.9 . . ? C6 C5 C4 109.0(8) . . ? C6 C5 H5A 109.9 . . ? C4 C5 H5A 109.9 . . ? C6 C5 H5B 109.9 . . ? C4 C5 H5B 109.9 . . ? H5A C5 H5B 108.3 . . ? N1 C6 C5 113.0(6) . . ? N1 C6 C1 103.0(5) . . ? C5 C6 C1 109.6(7) . . ? N1 C6 H6 110.3 . . ? C5 C6 H6 110.3 . . ? C1 C6 H6 110.3 . . ? N1 C7 H7A 109.5 . . ? N1 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? N1 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N1 C8 C9 128.7(5) . . ? N1 C8 Ni1 130.3(3) . . ? C9 C8 Ni1 54.1(2) . . ? N1 C8 H8 109(3) . . ? C9 C8 H8 122(3) . . ? Ni1 C8 H8 94(3) . . ? C8 C9 C10 118.8(4) . . ? C8 C9 Ni1 92.0(3) . . ? C10 C9 Ni1 67.1(2) . . ? C8 C9 H9 118(2) . . ? C10 C9 H9 123(2) . . ? Ni1 C9 H9 114(2) . . ? C9 C10 C11 120.1(4) . . ? C9 C10 Ni1 70.4(2) . . ? C11 C10 Ni1 117.8(3) . . ? C9 C10 H10 117(2) . . ? C11 C10 H10 113(2) . . ? Ni1 C10 H10 113(2) . . ? C12 C11 C16 117.2(4) . . ? C12 C11 C10 121.1(4) . . ? C16 C11 C10 121.7(4) . . ? C13 C12 C11 121.3(4) . . ? C13 C12 H12 119.3 . . ? C11 C12 H12 119.3 . . ? C12 C13 C14 120.1(5) . . ? C12 C13 H13 120.0 . . ? C14 C13 H13 120.0 . . ? C15 C14 C13 119.4(5) . . ? C15 C14 H14 120.3 . . ? C13 C14 H14 120.3 . . ? C14 C15 C16 120.9(4) . . ? C14 C15 H15 119.5 . . ? C16 C15 H15 119.5 . . ? C15 C16 C11 121.1(4) . . ? C15 C16 H16 119.5 . . ? C11 C16 H16 119.5 . . ? C18 C17 C22 111.8(3) . . ? C18 C17 P1 112.7(3) . . ? C22 C17 P1 115.7(3) . . ? C18 C17 H17 105.2 . . ? C22 C17 H17 105.2 . . ? P1 C17 H17 105.2 . . ? C19 C18 C17 111.2(3) . . ? C19 C18 H18A 109.4 . . ? C17 C18 H18A 109.4 . . ? C19 C18 H18B 109.4 . . ? C17 C18 H18B 109.4 . . ? H18A C18 H18B 108.0 . . ? C20 C19 C18 111.8(4) . . ? C20 C19 H19A 109.3 . . ? C18 C19 H19A 109.3 . . ? C20 C19 H19B 109.3 . . ? C18 C19 H19B 109.3 . . ? H19A C19 H19B 107.9 . . ? C19 C20 C21 110.9(4) . . ? C19 C20 H20A 109.5 . . ? C21 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? C21 C20 H20B 109.5 . . ? H20A C20 H20B 108.0 . . ? C20 C21 C22 110.7(3) . . ? C20 C21 H21A 109.5 . . ? C22 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? C22 C21 H21B 109.5 . . ? H21A C21 H21B 108.1 . . ? C21 C22 C17 111.1(3) . . ? C21 C22 H22A 109.4 . . ? C17 C22 H22A 109.4 . . ? C21 C22 H22B 109.4 . . ? C17 C22 H22B 109.4 . . ? H22A C22 H22B 108.0 . . ? C28 C23 C24 110.6(3) . . ? C28 C23 P1 113.4(3) . . ? C24 C23 P1 113.3(3) . . ? C28 C23 H23 106.3 . . ? C24 C23 H23 106.3 . . ? P1 C23 H23 106.3 . . ? C25 C24 C23 111.3(3) . . ? C25 C24 H24A 109.4 . . ? C23 C24 H24A 109.4 . . ? C25 C24 H24B 109.4 . . ? C23 C24 H24B 109.4 . . ? H24A C24 H24B 108.0 . . ? C26 C25 C24 111.9(4) . . ? C26 C25 H25A 109.2 . . ? C24 C25 H25A 109.2 . . ? C26 C25 H25B 109.2 . . ? C24 C25 H25B 109.2 . . ? H25A C25 H25B 107.9 . . ? C25 C26 C27 110.6(4) . . ? C25 C26 H26A 109.5 . . ? C27 C26 H26A 109.5 . . ? C25 C26 H26B 109.5 . . ? C27 C26 H26B 109.5 . . ? H26A C26 H26B 108.1 . . ? C26 C27 C28 111.7(4) . . ? C26 C27 H27A 109.3 . . ? C28 C27 H27A 109.3 . . ? C26 C27 H27B 109.3 . . ? C28 C27 H27B 109.3 . . ? H27A C27 H27B 107.9 . . ? C23 C28 C27 111.5(4) . . ? C23 C28 H28A 109.3 . . ? C27 C28 H28A 109.3 . . ? C23 C28 H28B 109.3 . . ? C27 C28 H28B 109.3 . . ? H28A C28 H28B 108.0 . . ? C30 C29 C34 108.9(3) . . ? C30 C29 P1 115.7(3) . . ? C34 C29 P1 109.9(3) . . ? C30 C29 H29 107.3 . . ? C34 C29 H29 107.3 . . ? P1 C29 H29 107.3 . . ? C29 C30 C31 111.2(3) . . ? C29 C30 H30A 109.4 . . ? C31 C30 H30A 109.4 . . ? C29 C30 H30B 109.4 . . ? C31 C30 H30B 109.4 . . ? H30A C30 H30B 108.0 . . ? C32 C31 C30 112.2(4) . . ? C32 C31 H31A 109.2 . . ? C30 C31 H31A 109.2 . . ? C32 C31 H31B 109.2 . . ? C30 C31 H31B 109.2 . . ? H31A C31 H31B 107.9 . . ? C33 C32 C31 110.8(4) . . ? C33 C32 H32A 109.5 . . ? C31 C32 H32A 109.5 . . ? C33 C32 H32B 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 108.1 . . ? C32 C33 C34 110.8(4) . . ? C32 C33 H33A 109.5 . . ? C34 C33 H33A 109.5 . . ? C32 C33 H33B 109.5 . . ? C34 C33 H33B 109.5 . . ? H33A C33 H33B 108.1 . . ? C33 C34 C29 111.5(3) . . ? C33 C34 H34A 109.3 . . ? C29 C34 H34A 109.3 . . ? C33 C34 H34B 109.3 . . ? C29 C34 H34B 109.3 . . ? H34A C34 H34B 108.0 . . ? C8 N1 C7 119.1(4) . . ? C8 N1 C6A 142.2(8) . . ? C7 N1 C6A 98.7(8) . . ? C8 N1 C6 112.4(5) . . ? C7 N1 C6 128.4(5) . . ? C1 O1 H1A 109.5 . . ? C17 P1 C23 104.02(18) . . ? C17 P1 C29 105.38(18) . . ? C23 P1 C29 99.95(18) . . ? C17 P1 Ni1 113.11(13) . . ? C23 P1 Ni1 123.54(13) . . ? C29 P1 Ni1 108.84(13) . . ? C10 Ni1 C9 42.50(17) . . ? C10 Ni1 P1 108.52(13) . . ? C9 Ni1 P1 150.84(14) . . ? C10 Ni1 C8 65.13(17) . . ? C9 Ni1 C8 33.87(16) . . ? P1 Ni1 C8 146.04(13) . . ? C10 Ni1 I1 150.18(13) . . ? C9 Ni1 I1 108.82(13) . . ? P1 Ni1 I1 100.33(3) . . ? C8 Ni1 I1 94.74(12) . . ? C1A O1A H1A1 109.5 . . ? C4A C3A C2A 118.7(10) . . ? C4A C3A H3A1 107.6 . . ? C2A C3A H3A1 107.6 . . ? C4A C3A H3A2 107.6 . . ? C2A C3A H3A2 107.6 . . ? H3A1 C3A H3A2 107.1 . . ? C3A C4A C5A 119.5(9) . . ? C3A C4A H4A1 107.5 . . ? C5A C4A H4A1 107.5 . . ? C3A C4A H4A2 107.5 . . ? C5A C4A H4A2 107.5 . . ? H4A1 C4A H4A2 107.0 . . ? O1A C1A C6A 111.9(10) . . ? O1A C1A C2A 112.3(9) . . ? C6A C1A C2A 116.9(9) . . ? O1A C1A H1Z1 104.8 . . ? C6A C1A H1Z1 104.8 . . ? C2A C1A H1Z1 104.8 . . ? C4A C5A C6A 114.3(8) . . ? C4A C5A H5A1 108.7 . . ? C6A C5A H5A1 108.7 . . ? C4A C5A H5A2 108.7 . . ? C6A C5A H5A2 108.7 . . ? H5A1 C5A H5A2 107.6 . . ? C1A C2A C3A 114.4(8) . . ? C1A C2A H2A1 108.7 . . ? C3A C2A H2A1 108.6 . . ? C1A C2A H2A2 108.6 . . ? C3A C2A H2A2 108.7 . . ? H2A1 C2A H2A2 107.6 . . ? N1 C6A C1A 117.1(10) . . ? N1 C6A C5A 106.5(8) . . ? C1A C6A C5A 115.6(8) . . ? N1 C6A H6A 105.6 . . ? C1A C6A H6A 105.6 . . ? C5A C6A H6A 105.6 . . ? 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 C1 O1 1.444(14) . ? C1 C2 1.532(8) . ? C1 C6 1.675(8) . ? C1 H1 1.0000 . ? C2 C3 1.470(9) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 C4 1.521(9) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 C5 1.530(9) . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 C6 1.510(8) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C6 N1 1.509(8) . ? C6 H6 1.0000 . ? C7 N1 1.435(7) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 N1 1.301(6) . ? C8 C9 1.379(6) . ? C8 Ni1 2.473(4) . ? C8 H8 0.95(5) . ? C9 C10 1.437(6) . ? C9 Ni1 2.004(4) . ? C9 H9 0.90(4) . ? C10 C11 1.472(6) . ? C10 Ni1 1.959(4) . ? C10 H10 0.95(4) . ? C11 C12 1.391(6) . ? C11 C16 1.394(6) . ? C12 C13 1.375(6) . ? C12 H12 0.9500 . ? C13 C14 1.389(7) . ? C13 H13 0.9500 . ? C14 C15 1.353(7) . ? C14 H14 0.9500 . ? C15 C16 1.380(7) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? C17 C18 1.517(5) . ? C17 C22 1.526(5) . ? C17 P1 1.860(4) . ? C17 H17 1.0000 . ? C18 C19 1.516(5) . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C19 C20 1.511(6) . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C20 C21 1.517(6) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C21 C22 1.520(6) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C23 C28 1.516(6) . ? C23 C24 1.537(6) . ? C23 P1 1.866(4) . ? C23 H23 1.0000 . ? C24 C25 1.526(6) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 C26 1.498(6) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 C27 1.518(6) . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? C27 C28 1.520(6) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C29 C30 1.527(6) . ? C29 C34 1.533(6) . ? C29 P1 1.871(4) . ? C29 H29 1.0000 . ? C30 C31 1.528(6) . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? C31 C32 1.520(6) . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C32 C33 1.494(6) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.522(6) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? N1 C6A 1.452(11) . ? O1 H1A 0.8400 . ? P1 Ni1 2.1812(11) . ? Ni1 I1 2.5476(6) . ? O1A C1A 1.398(9) . ? O1A H1A1 0.8400 . ? C3A C4A 1.389(17) . ? C3A C2A 1.522(16) . ? C3A H3A1 0.9900 . ? C3A H3A2 0.9900 . ? C4A C5A 1.481(15) . ? C4A H4A1 0.9900 . ? C4A H4A2 0.9900 . ? C1A C6A 1.453(9) . ? C1A C2A 1.482(9) . ? C1A H1Z1 1.0000 . ? C5A C6A 1.519(9) . ? C5A H5A1 0.9900 . ? C5A H5A2 0.9900 . ? C2A H2A1 0.9900 . ? C2A H2A2 0.9900 . ? C6A H6A 1.0000 . ?