#------------------------------------------------------------------------------ #$Date: 2016-04-04 13:48:36 +0300 (Mon, 04 Apr 2016) $ #$Revision: 181379 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/08/64/4086450.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_4086450 loop_ _publ_author_name 'Magnuson, Kevin W.' 'Oshiro, Shelly M.' 'Gurr, Joshua R.' 'Yoshida, Wesley Y.' 'Gembicky, Milan' 'Rheingold, Arnold L.' 'Hughes, Russell P.' 'Cain, Matthew F.' _publ_contact_author_name ; ; _publ_section_title ; Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine--Phosphaalkene Ligands ; _journal_issue 6 _journal_name_full Organometallics _journal_page_first 855 _journal_page_last 859 _journal_paper_doi 10.1021/acs.organomet.6b00101 _journal_volume 35 _journal_year 2016 _chemical_absolute_configuration ad _chemical_formula_moiety 'C32 H42 Cl2 P2 Pt' _chemical_formula_sum 'C32 H43 Cl2 P2 Pt' _chemical_formula_weight 755.59 _space_group_crystal_system orthorhombic _space_group_IT_number 29 _space_group_name_Hall 'P 2c -2ac' _space_group_name_H-M_alt 'P c a 21' _symmetry_space_group_name_Hall 'P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _atom_sites_solution_hydrogens geom _audit_creation_date 2015-12-11 _audit_creation_method ; Olex2 1.2 (compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.2583(18) _cell_length_b 14.976(2) _cell_length_c 17.006(2) _cell_measurement_reflns_used 9864 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 25.35 _cell_measurement_theta_min 2.46 _cell_volume 3122.0(7) _computing_cell_refinement 'SAINT v8.34A (Bruker, 2013)' _computing_data_collection 'APEX2 v2013.6-2 (Bruker, 2013)' _computing_data_reduction 'SAINT v8.34A (Bruker, 2013)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'ShelXT (Sheldrick, 2008)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker APEX-II CCD' _diffrn_detector_area_resol_mean 7.9 _diffrn_detector_type 'CCD Area Detector' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device 'Kappa Four-Circle Diffractometer' _diffrn_measurement_device_type 'Bruker APEX II Ultra' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'Double Bounce Multilayer Mirrors' _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0378 _diffrn_reflns_av_unetI/netI 0.0335 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 35462 _diffrn_reflns_point_group_measured_fraction_full 0.969 _diffrn_reflns_point_group_measured_fraction_max 0.967 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.345 _diffrn_reflns_theta_min 1.360 _diffrn_source 'Micro Focus Rotating Anode' _diffrn_source_type 'Bruker TXS' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 4.788 _exptl_absorpt_correction_T_max 0.0916 _exptl_absorpt_correction_T_min 0.0568 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1109 before and 0.0632 after correction. The Ratio of minimum to maximum transmission is 0.6201. The \l/2 correction factor is 0.00150. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.608 _exptl_crystal_description plate _exptl_crystal_F_000 1508 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.04 _refine_diff_density_max 2.372 _refine_diff_density_min -0.702 _refine_diff_density_rms 0.116 _refine_ls_abs_structure_details ; Flack x determined using 1923 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.027(5) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 343 _refine_ls_number_reflns 5523 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.029 _refine_ls_R_factor_all 0.0368 _refine_ls_R_factor_gt 0.0285 _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^)+(0.0361P)^2^+4.6103P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0677 _refine_ls_wR_factor_ref 0.0725 _reflns_Friedel_coverage 0.863 _reflns_Friedel_fraction_full 0.935 _reflns_Friedel_fraction_max 0.931 _reflns_number_gt 4674 _reflns_number_total 5523 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file om6b00101_si_005.cif _cod_data_source_block cain27 _cod_depositor_comments ; The following automatic conversions were performed: '_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 4609 2016-04-01 06:22:49Z antanas ; _cod_original_cell_volume 3122.0(8) _cod_database_code 4086450 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C13(H13A,H13B) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C17(H17), C19(H19) 2.c Idealised Me refined as rotating group: C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B, H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A, H31B,H31C), C32(H32A,H32B,H32C) ; _shelx_res_file ; cain27.res created by SHELXL-2014/7 TITL pca21_m.res in Pca2(1) REM Old TITL pca21 in Pca2(1) REM SHELXT solution in Pca2(1) REM R1 0.083, Rweak 0.002, Alpha 0.086, Orientation as input REM Flack x = 0.012 ( 0.007 ) from Parsons' quotients REM Formula found by SHELXT: C48 Cl4 Pt CELL 0.71073 12.2583 14.9757 17.0064 90 90 90 ZERR 4 0.0018 0.0022 0.0024 0 0 0 LATT -1 SYMM -X,-Y,0.5+Z SYMM 0.5+X,-Y,+Z SYMM 0.5-X,+Y,0.5+Z SFAC C H Cl P Pt UNIT 128 172 8 8 4 L.S. 10 PLAN 20 TEMP -173.15 BOND $H fmap 2 acta 50 REM REM REM WGHT 0.036100 4.610300 FVAR 0.06254 PT1 5 0.499093 0.383366 0.695429 11.00000 0.01708 0.01972 = 0.01613 0.00031 0.00102 -0.00069 CL1 3 0.627554 0.495702 0.676914 11.00000 0.02069 0.02766 = 0.02866 0.00258 0.00131 -0.00427 CL2 3 0.553185 0.312629 0.578065 11.00000 0.02768 0.03342 = 0.02291 -0.00399 0.00485 -0.00190 P1 4 0.447407 0.447837 0.807795 11.00000 0.01753 0.02314 = 0.02010 0.00000 0.00124 -0.00271 P2 4 0.370112 0.285243 0.720818 11.00000 0.02300 0.02306 = 0.02112 -0.00051 0.00106 -0.00296 C1 1 0.535391 0.426217 0.890660 11.00000 0.02498 0.01702 = 0.02369 0.00156 0.00023 -0.00279 C2 1 0.633240 0.380335 0.879454 11.00000 0.01733 0.03206 = 0.01508 -0.00082 0.00034 -0.00196 AFIX 43 H2 2 0.651032 0.357665 0.828883 11.00000 -1.20000 AFIX 0 C3 1 0.705414 0.367496 0.942339 11.00000 0.02176 0.03759 = 0.02665 0.00247 0.00674 0.00386 AFIX 43 H3 2 0.771284 0.335219 0.934702 11.00000 -1.20000 AFIX 0 C4 1 0.680346 0.402012 1.015569 11.00000 0.02561 0.03426 = 0.01935 0.00038 -0.00618 -0.00273 AFIX 43 H4 2 0.730158 0.395247 1.057947 11.00000 -1.20000 AFIX 0 C5 1 0.582192 0.446615 1.027109 11.00000 0.02120 0.03222 = 0.02487 -0.00528 0.00059 -0.00472 AFIX 43 H5 2 0.564446 0.468585 1.077928 11.00000 -1.20000 AFIX 0 C6 1 0.509933 0.459466 0.965568 11.00000 0.02422 0.01940 = 0.02088 0.00147 0.00208 0.00018 AFIX 43 H6 2 0.443462 0.490635 0.974023 11.00000 -1.20000 AFIX 0 C7 1 0.432738 0.568013 0.803821 11.00000 0.02095 0.02787 = 0.02262 -0.00445 0.00812 -0.00211 C8 1 0.487102 0.628153 0.853086 11.00000 0.02273 0.02738 = 0.02553 -0.00252 0.00138 -0.00140 AFIX 43 H8 2 0.538304 0.606560 0.890460 11.00000 -1.20000 AFIX 0 C9 1 0.467016 0.718118 0.847826 11.00000 0.04341 0.02739 = 0.03952 -0.00089 0.01281 -0.00618 AFIX 43 H9 2 0.503949 0.758293 0.881888 11.00000 -1.20000 AFIX 0 C10 1 0.393290 0.750747 0.793216 11.00000 0.04482 0.02456 = 0.04729 0.00644 0.01305 0.00320 AFIX 43 H10 2 0.379400 0.813066 0.790270 11.00000 -1.20000 AFIX 0 C11 1 0.340567 0.693582 0.743641 11.00000 0.02991 0.03028 = 0.03807 0.01125 0.00587 0.01047 AFIX 43 H11 2 0.290333 0.716184 0.706047 11.00000 -1.20000 AFIX 0 C12 1 0.360190 0.602629 0.748053 11.00000 0.02281 0.03506 = 0.02546 0.00154 0.00479 -0.00165 AFIX 43 H12 2 0.323999 0.563302 0.712830 11.00000 -1.20000 AFIX 0 C13 1 0.311353 0.403369 0.834014 11.00000 0.02076 0.02917 = 0.02225 -0.00189 -0.00099 0.00593 AFIX 23 H13A 2 0.305792 0.397474 0.891856 11.00000 -1.20000 H13B 2 0.254292 0.445626 0.816336 11.00000 -1.20000 AFIX 0 C14 1 0.292781 0.313865 0.796341 11.00000 0.02242 0.03372 = 0.02305 0.00477 -0.00184 -0.00824 AFIX 43 H14 2 0.237916 0.274686 0.815476 11.00000 -1.20000 AFIX 0 C15 1 0.338270 0.180605 0.671515 11.00000 0.01969 0.02627 = 0.01989 -0.00157 0.00284 -0.00078 C16 1 0.261262 0.180153 0.608575 11.00000 0.02458 0.02634 = 0.02159 0.00595 -0.00045 0.00040 C17 1 0.243282 0.098435 0.571430 11.00000 0.02338 0.03428 = 0.02289 0.00505 -0.00078 0.00016 AFIX 43 H17 2 0.193112 0.098065 0.528855 11.00000 -1.20000 AFIX 0 C18 1 0.291049 0.018756 0.590498 11.00000 0.01867 0.03150 = 0.02267 -0.00049 0.00478 -0.00374 C19 1 0.367712 0.022503 0.651264 11.00000 0.02784 0.02591 = 0.02594 0.00056 0.00487 0.00450 AFIX 43 H19 2 0.404530 -0.031026 0.665202 11.00000 -1.20000 AFIX 0 C20 1 0.393412 0.100152 0.692683 11.00000 0.02486 0.02529 = 0.02169 0.00364 0.00326 -0.00323 C21 1 0.187871 0.259639 0.582721 11.00000 0.02377 0.02484 = 0.02559 -0.00231 -0.00445 0.00106 C22 1 0.255749 0.344512 0.566156 11.00000 0.02759 0.02848 = 0.02715 0.00183 -0.00146 0.00091 AFIX 137 H22A 2 0.313783 0.330453 0.528505 11.00000 -1.50000 H22B 2 0.288183 0.366018 0.615303 11.00000 -1.50000 H22C 2 0.208334 0.390897 0.544152 11.00000 -1.50000 AFIX 0 C23 1 0.099185 0.274973 0.645499 11.00000 0.02740 0.03118 = 0.03342 0.00277 0.00254 -0.00123 AFIX 137 H23A 2 0.133286 0.295643 0.694338 11.00000 -1.50000 H23B 2 0.060339 0.218880 0.655336 11.00000 -1.50000 H23C 2 0.047526 0.320150 0.626749 11.00000 -1.50000 AFIX 0 C24 1 0.127924 0.239655 0.504931 11.00000 0.03728 0.03798 = 0.02322 -0.00157 -0.00549 0.00705 AFIX 137 H24A 2 0.078584 0.188869 0.512405 11.00000 -1.50000 H24B 2 0.181373 0.225205 0.464011 11.00000 -1.50000 H24C 2 0.085731 0.292196 0.488959 11.00000 -1.50000 AFIX 0 C25 1 0.267784 -0.066823 0.544834 11.00000 0.03166 0.03132 = 0.02903 -0.00706 0.00013 -0.00408 C26 1 0.144769 -0.076329 0.527912 11.00000 0.03552 0.02810 = 0.03611 -0.00303 -0.00813 -0.00289 AFIX 137 H26A 2 0.120006 -0.025452 0.496371 11.00000 -1.50000 H26B 2 0.104507 -0.077727 0.577680 11.00000 -1.50000 H26C 2 0.131601 -0.131852 0.498927 11.00000 -1.50000 AFIX 0 C27 1 0.303481 -0.149688 0.590188 11.00000 0.05215 0.02823 = 0.05960 -0.01763 -0.01296 0.00678 AFIX 137 H27A 2 0.271252 -0.148585 0.642915 11.00000 -1.50000 H27B 2 0.383195 -0.150430 0.594523 11.00000 -1.50000 H27C 2 0.278932 -0.203290 0.562268 11.00000 -1.50000 AFIX 0 C28 1 0.328683 -0.062162 0.467074 11.00000 0.04781 0.05571 = 0.04068 -0.02454 0.01556 -0.01337 AFIX 137 H28A 2 0.407377 -0.060305 0.477100 11.00000 -1.50000 H28B 2 0.306703 -0.008218 0.438557 11.00000 -1.50000 H28C 2 0.311228 -0.114957 0.435437 11.00000 -1.50000 AFIX 0 C29 1 0.475347 0.089195 0.762066 11.00000 0.04254 0.01997 = 0.02676 0.00522 -0.00370 -0.00215 C30 1 0.408221 0.085597 0.837602 11.00000 0.03141 0.05488 = 0.02643 0.00468 -0.00434 0.00322 AFIX 137 H30A 2 0.370384 0.142617 0.845064 11.00000 -1.50000 H30B 2 0.456677 0.074548 0.882392 11.00000 -1.50000 H30C 2 0.354508 0.037317 0.833845 11.00000 -1.50000 AFIX 0 C31 1 0.561135 0.164434 0.766141 11.00000 0.03594 0.03252 = 0.03445 0.00031 -0.01030 -0.01266 AFIX 137 H31A 2 0.623070 0.144748 0.798190 11.00000 -1.50000 H31B 2 0.528357 0.217686 0.789880 11.00000 -1.50000 H31C 2 0.586471 0.178662 0.712941 11.00000 -1.50000 AFIX 0 C32 1 0.541338 0.001759 0.755983 11.00000 0.02685 0.03710 = 0.03274 -0.00125 -0.00976 0.00020 AFIX 137 H32A 2 0.595877 -0.000136 0.798084 11.00000 -1.50000 H32B 2 0.578101 -0.000761 0.704860 11.00000 -1.50000 H32C 2 0.491959 -0.049371 0.761141 11.00000 -1.50000 AFIX 0 HKLF 4 REM pca21_m.res in Pca2(1) REM R1 = 0.0285 for 4674 Fo > 4sig(Fo) and 0.0368 for all 5523 data REM 343 parameters refined using 1 restraints END WGHT 0.0353 4.5266 REM Highest difference peak 2.372, deepest hole -0.702, 1-sigma level 0.116 Q1 1 0.4991 0.3175 0.6972 11.00000 0.05 2.37 Q2 1 0.4996 0.4477 0.6973 11.00000 0.05 2.29 Q3 1 -0.0008 0.1481 0.6970 11.00000 0.05 1.87 Q4 1 0.0060 0.3476 0.6963 11.00000 0.05 1.24 Q5 1 0.4474 0.3157 0.8129 11.00000 0.05 0.88 Q6 1 0.3702 0.4945 0.6916 11.00000 0.05 0.80 Q7 1 0.6302 0.2819 0.7156 11.00000 0.05 0.79 Q8 1 0.4527 0.5458 1.0809 11.00000 0.05 0.77 Q9 1 0.4459 0.3123 0.5775 11.00000 0.05 0.74 Q10 1 0.5547 0.4458 0.8062 11.00000 0.05 0.68 Q11 1 0.6288 0.2790 0.6853 11.00000 0.05 0.66 Q12 1 0.4970 0.1220 0.6977 11.00000 0.05 0.60 Q13 1 0.5572 0.5560 1.0820 11.00000 0.05 0.58 Q14 1 0.5548 0.3135 0.8164 11.00000 0.05 0.57 Q15 1 0.6259 0.5642 0.6799 11.00000 0.05 0.51 Q16 1 0.4488 0.5123 0.8120 11.00000 0.05 0.50 Q17 1 0.5369 0.2434 0.5814 11.00000 0.05 0.50 Q18 1 0.3663 0.2779 0.6801 11.00000 0.05 0.49 Q19 1 0.5026 0.5101 0.6936 11.00000 0.05 0.47 Q20 1 0.6329 0.4230 0.6808 11.00000 0.05 0.45 ; _shelx_res_checksum 85798 _shelx_hkl_file ; -1 0 0 -0.60 0.06 1 0 0 -0.69 0.03 -1 0 0 -0.71 0.04 1 0 0 -0.74 0.07 -1 0 0 -0.77 0.07 1 0 0 -0.72 0.05 -1 0 0 -0.65 0.06 1 0 0 -0.63 0.07 -2 0 0 446.85 24.81 -2 0 0 456.95 24.80 2 0 0 427.46 24.78 2 0 0 440.17 24.79 2 0 0 426.51 24.73 -2 0 0 447.48 24.79 2 0 0 447.24 24.80 2 0 0 431.58 24.78 -2 0 0 442.38 24.82 2 0 0 446.96 24.81 3 0 0 -0.23 0.25 3 0 0 -0.45 0.25 3 0 0 -0.42 0.19 -3 0 0 -0.63 0.25 3 0 0 -0.08 0.14 -3 0 0 -0.51 0.19 -3 0 0 -0.38 0.26 3 0 0 -0.32 0.22 -4 0 0 137.37 8.13 -4 0 0 143.94 8.11 4 0 0 143.43 8.10 -4 0 0 137.70 8.12 4 0 0 141.03 7.96 4 0 0 139.49 8.07 4 0 0 141.94 8.09 -5 0 0 0.21 0.33 -5 0 0 0.35 0.30 5 0 0 0.06 0.24 5 0 0 0.04 0.16 5 0 0 0.08 0.27 -5 0 0 0.09 0.33 6 0 0 197.13 11.04 -6 0 0 200.01 11.31 6 0 0 192.65 11.24 6 0 0 193.45 11.25 -6 0 0 194.32 11.30 7 0 0 -0.20 0.32 7 0 0 -0.18 0.35 -7 0 0 1.09 0.47 -7 0 0 0.99 0.47 8 0 0 184.41 10.41 8 0 0 174.56 10.39 -8 0 0 180.15 10.47 -8 0 0 175.08 10.46 -9 0 0 -0.21 0.41 9 0 0 -0.24 0.44 -9 0 0 0.35 0.56 9 0 0 -0.71 0.36 -10 0 0 49.24 3.22 -10 0 0 46.15 3.21 10 0 0 42.42 3.06 11 0 0 -0.39 0.49 -11 0 0 -0.35 0.55 -11 0 0 0.17 0.60 12 0 0 19.83 1.81 -12 0 0 19.36 1.85 -13 0 0 0.57 0.68 13 0 0 -0.48 0.60 -14 0 0 50.86 3.61 14 0 0 47.56 3.54 0 1 0 335.09 21.31 0 -1 0 426.41 21.32 1 1 0 8.60 0.56 -1 -1 0 9.32 0.59 1 1 0 8.96 0.57 1 -1 0 9.32 0.59 -1 1 0 9.07 0.58 -1 -1 0 8.90 0.57 -1 1 0 9.03 0.60 1 -1 0 9.56 0.61 -1 -1 0 9.35 0.57 1 1 0 9.04 0.58 -1 -1 0 8.72 0.58 -1 -1 0 8.92 0.60 1 1 0 8.87 0.60 1 -1 0 10.00 0.58 -1 1 0 9.77 0.59 -2 -1 0 389.23 22.67 -2 -1 0 395.05 22.71 2 -1 0 407.93 22.69 -2 -1 0 413.92 22.69 -2 1 0 420.70 22.70 -2 -1 0 415.81 22.71 2 1 0 380.29 22.67 -2 -1 0 386.20 22.67 -2 -1 0 410.73 22.69 2 1 0 409.50 22.70 2 1 0 403.80 22.71 2 -1 0 404.99 22.71 -2 1 0 423.73 22.70 -2 1 0 397.85 22.71 2 1 0 393.83 22.68 2 -1 0 417.82 22.70 2 1 0 359.28 22.66 -2 1 0 418.98 22.72 2 -1 0 425.12 22.72 -3 -1 0 15.32 1.02 -3 1 0 14.61 1.09 -3 -1 0 15.35 1.05 3 1 0 13.97 1.01 -3 -1 0 15.07 1.10 -3 -1 0 14.76 1.09 3 1 0 15.34 1.05 3 -1 0 16.33 1.07 3 -1 0 16.34 1.07 -3 -1 0 14.84 1.04 3 -1 0 15.82 1.11 3 1 0 14.49 1.04 -3 1 0 16.12 1.14 -3 1 0 15.34 1.06 4 1 0 133.64 7.83 -4 -1 0 140.87 7.85 -4 1 0 142.38 7.89 -4 -1 0 135.73 7.80 -4 1 0 135.60 7.89 4 1 0 135.58 7.84 -4 -1 0 130.51 7.86 -4 -1 0 139.74 7.87 4 -1 0 135.92 7.84 4 -1 0 140.84 7.85 4 1 0 129.94 7.79 5 -1 0 4.26 0.63 -5 1 0 4.27 0.67 -5 -1 0 5.05 0.72 -5 -1 0 5.64 0.60 -5 -1 0 6.19 0.71 -5 -1 0 6.11 0.66 5 1 0 5.93 0.66 5 -1 0 5.77 0.51 -5 1 0 5.47 0.76 5 1 0 5.22 0.62 5 -1 0 5.65 0.65 6 1 0 144.81 8.21 -6 -1 0 133.43 8.24 6 -1 0 146.75 8.21 6 1 0 143.17 8.20 -6 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0.66 12 2 0 0.37 0.64 12 -2 0 0.87 0.70 13 -2 0 -0.13 0.67 13 2 0 -0.95 0.62 -13 2 0 0.21 0.67 -13 -2 0 -0.76 0.75 -13 -2 0 -0.29 0.60 14 -2 0 0.87 0.73 14 2 0 1.52 0.79 -14 -2 0 0.21 0.72 -14 2 0 1.88 0.83 0 3 0 258.69 14.57 0 -3 0 255.73 14.51 0 -3 0 248.48 14.46 0 -3 0 259.43 14.46 0 -3 0 262.40 14.50 -1 -3 0 40.12 2.41 -1 -3 0 45.40 2.49 1 3 0 41.61 2.42 1 -3 0 41.57 2.44 1 3 0 39.55 2.45 -1 3 0 39.70 2.47 1 -3 0 44.00 2.49 -1 -3 0 40.91 2.43 1 -3 0 40.57 2.44 -1 -3 0 42.86 2.42 2 -3 0 68.47 3.91 -2 -3 0 67.72 3.90 -2 -3 0 66.96 3.88 -2 3 0 67.30 3.96 -2 -3 0 67.33 3.84 2 3 0 69.77 3.85 -2 -3 0 64.03 3.87 2 3 0 61.09 3.86 2 3 0 66.77 3.88 2 -3 0 67.74 3.90 -2 -3 0 70.34 3.94 -2 -3 0 69.53 3.90 -3 -3 0 -0.28 0.23 -3 -3 0 0.15 0.22 -3 3 0 -0.37 0.21 3 -3 0 -0.07 0.23 -3 -3 0 0.09 0.21 3 3 0 0.31 0.21 3 3 0 0.10 0.21 3 3 0 0.20 0.21 -3 -3 0 0.04 0.19 -3 -3 0 -0.19 0.22 3 3 0 -0.17 0.22 3 -3 0 -0.04 0.20 3 -3 0 0.01 0.24 -4 -3 0 127.09 7.36 -4 -3 0 127.84 7.38 -4 -3 0 125.15 7.35 4 -3 0 130.72 7.45 -4 3 0 128.70 7.45 4 3 0 125.09 7.37 4 -3 0 133.20 7.40 4 -3 0 128.46 7.40 -4 -3 0 128.41 7.41 -4 -3 0 126.55 7.44 -5 -3 0 49.01 3.03 -5 -3 0 51.19 3.08 -5 -3 0 47.67 2.99 5 3 0 50.85 3.01 -5 3 0 46.52 3.04 5 -3 0 48.35 3.01 -5 -3 0 47.91 2.95 5 -3 0 46.44 3.05 5 -3 0 49.02 3.01 -6 -3 0 92.33 5.38 6 -3 0 90.09 5.38 -6 3 0 87.43 5.43 -6 -3 0 85.51 5.40 -6 -3 0 91.16 5.44 6 -3 0 88.22 5.37 6 3 0 93.25 5.38 6 3 0 93.18 5.38 -6 -3 0 90.70 5.31 -7 -3 0 2.91 0.53 -7 -3 0 3.39 0.68 7 3 0 1.53 0.44 -7 -3 0 2.22 0.60 7 -3 0 1.90 0.51 -7 -3 0 2.47 0.54 7 3 0 2.61 0.59 7 -3 0 2.35 0.55 -7 3 0 2.59 0.62 8 3 0 32.70 2.22 8 -3 0 33.23 2.25 8 -3 0 31.60 2.21 8 3 0 30.94 2.21 -8 -3 0 29.47 2.20 -8 -3 0 30.85 2.09 -8 3 0 31.75 2.28 -8 -3 0 29.82 2.27 -8 -3 0 33.04 2.31 -9 3 0 0.58 0.52 -9 -3 0 0.28 0.49 -9 -3 0 -0.29 0.61 9 -3 0 -0.03 0.46 9 -3 0 0.70 0.54 9 3 0 -0.01 0.52 -10 -3 0 37.44 2.66 10 3 0 35.33 2.54 10 -3 0 34.59 2.51 -10 -3 0 33.50 2.62 -10 3 0 33.26 2.55 11 -3 0 0.60 0.69 11 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4 4 0 435.46 24.30 -4 -4 0 430.87 24.38 -4 4 0 435.55 24.47 -4 -4 0 433.96 24.35 4 -4 0 426.36 24.39 4 -4 0 435.45 24.39 4 -4 0 434.32 24.44 5 4 0 7.20 0.78 -5 -4 0 6.22 0.74 5 -4 0 6.56 0.76 -5 -4 0 7.17 0.82 -5 -4 0 6.71 0.83 -5 -4 0 5.85 0.69 -5 -4 0 7.60 0.74 5 4 0 6.18 0.73 5 -4 0 5.55 0.80 5 -4 0 6.12 0.74 -5 4 0 5.36 0.80 5 4 0 6.26 0.67 -6 4 0 182.94 10.62 -6 -4 0 180.74 10.56 -6 -4 0 187.08 10.63 -6 -4 0 191.15 10.55 6 -4 0 180.56 10.54 6 -4 0 181.23 10.54 -6 -4 0 184.07 10.48 6 4 0 173.76 10.51 6 -4 0 181.77 10.60 -7 -4 0 18.33 1.36 -7 -4 0 17.31 1.51 -7 -4 0 18.64 1.46 -7 4 0 18.11 1.51 7 -4 0 18.40 1.46 7 -4 0 17.16 1.42 -7 -4 0 16.53 1.48 7 4 0 18.70 1.46 8 4 0 82.03 5.00 -8 -4 0 76.26 5.03 8 4 0 78.90 5.07 8 -4 0 81.83 5.00 8 -4 0 79.37 4.99 -8 -4 0 84.32 4.90 -8 4 0 82.31 5.08 -8 -4 0 88.01 5.12 9 -4 0 0.34 0.46 -9 -4 0 -0.33 0.51 -9 4 0 -0.08 0.47 -9 -4 0 0.40 0.40 9 -4 0 0.55 0.54 -9 -4 0 0.07 0.55 9 4 0 0.60 0.58 -10 -4 0 97.57 6.06 -10 4 0 99.11 6.04 10 -4 0 99.31 5.97 10 -4 0 96.55 5.94 -10 -4 0 92.09 6.01 10 4 0 95.13 5.93 -11 4 0 6.52 1.10 -11 -4 0 6.94 1.16 11 -4 0 7.56 1.11 11 -4 0 8.17 1.18 11 4 0 5.76 1.04 -11 -4 0 7.69 1.23 12 -4 0 107.11 6.76 -12 4 0 110.95 6.84 -12 -4 0 107.30 6.85 -12 -4 0 109.85 6.86 12 4 0 110.19 6.76 -13 4 0 -0.54 0.61 13 4 0 0.46 0.74 -13 -4 0 0.49 0.68 -13 -4 0 0.05 0.87 13 -4 0 0.09 0.71 -14 4 0 35.07 2.89 -14 -4 0 37.19 3.05 14 -4 0 38.60 2.87 -14 -4 0 33.33 2.92 0 -5 0 69.73 4.00 0 -5 0 67.82 3.92 0 -5 0 64.45 3.91 1 -5 0 3.35 0.52 1 5 0 3.55 0.46 -1 -5 0 3.09 0.44 -1 -5 0 3.09 0.46 1 -5 0 3.00 0.42 1 -5 0 2.37 0.37 -1 -5 0 3.38 0.39 2 -5 0 125.24 7.20 2 -5 0 125.35 7.25 -2 5 0 125.08 7.33 -2 -5 0 126.88 7.17 2 5 0 125.47 7.15 -2 -5 0 126.59 7.19 2 -5 0 123.52 7.20 -2 -5 0 124.13 7.16 -2 -5 0 128.08 7.24 3 -5 0 10.40 0.84 -3 -5 0 10.35 0.73 3 -5 0 9.32 0.84 -3 -5 0 10.39 0.83 -3 -5 0 10.55 0.85 -3 -5 0 8.67 0.88 -3 5 0 8.67 0.95 3 5 0 9.08 0.73 3 -5 0 9.46 0.82 -3 -5 0 9.85 0.78 3 5 0 9.85 0.79 4 -5 0 242.65 14.32 -4 -5 0 250.55 14.32 -4 -5 0 251.69 14.41 -4 -5 0 264.98 14.35 4 -5 0 253.63 14.39 4 -5 0 250.56 14.33 4 5 0 248.61 14.23 -4 5 0 250.20 14.43 4 5 0 249.25 14.31 -4 -5 0 255.14 14.30 -4 -5 0 252.99 14.32 -5 -5 0 0.38 0.31 5 5 0 -0.28 0.26 -5 -5 0 -0.08 0.34 -5 -5 0 -0.07 0.29 5 -5 0 -0.27 0.28 5 5 0 -0.07 0.33 5 -5 0 -0.09 0.30 -5 5 0 0.25 0.40 5 5 0 -0.02 0.25 -5 -5 0 0.27 0.30 5 -5 0 0.02 0.33 -5 -5 0 -0.45 0.34 6 -5 0 166.38 9.60 -6 5 0 164.56 9.62 -6 -5 0 167.07 9.56 6 -5 0 166.51 9.53 6 5 0 169.90 9.52 -6 -5 0 166.56 9.52 -6 -5 0 166.02 9.61 6 -5 0 160.40 9.52 6 5 0 162.33 9.38 6 5 0 156.67 9.50 -6 -5 0 160.77 9.47 7 5 0 2.42 0.58 7 -5 0 2.40 0.56 7 -5 0 3.45 0.64 -7 -5 0 2.34 0.54 -7 -5 0 2.68 0.60 -7 -5 0 2.52 0.51 -7 -5 0 3.52 0.73 -7 5 0 2.31 0.62 7 5 0 1.76 0.49 7 5 0 2.97 0.50 8 -5 0 42.29 2.91 -8 -5 0 44.58 2.82 -8 -5 0 45.95 3.00 8 5 0 44.75 2.75 8 -5 0 42.15 2.90 -8 -5 0 41.10 3.00 8 5 0 42.89 2.91 -8 5 0 45.22 3.01 9 5 0 -0.79 0.50 -9 5 0 0.13 0.52 -9 -5 0 -0.22 0.39 -9 -5 0 -0.15 0.58 9 -5 0 0.26 0.51 9 5 0 0.06 0.44 9 -5 0 -0.16 0.48 -9 -5 0 -0.09 0.59 10 5 0 83.81 5.07 -10 -5 0 84.81 5.38 10 5 0 83.02 5.25 10 -5 0 78.57 5.23 -10 -5 0 82.65 5.34 -10 5 0 86.55 5.38 10 -5 0 89.34 5.30 -11 -5 0 -0.26 0.72 -11 -5 0 0.88 0.72 11 5 0 -0.49 0.62 -11 5 0 0.16 0.63 11 -5 0 0.60 0.57 11 -5 0 -0.52 0.57 -12 -5 0 72.02 4.86 -12 -5 0 71.28 4.85 12 5 0 71.98 4.89 12 -5 0 73.18 4.73 -12 5 0 73.94 4.84 -13 -5 0 6.43 1.29 -13 5 0 9.43 1.39 -13 -5 0 5.58 1.23 13 -5 0 5.29 1.08 -14 -5 0 26.23 2.50 -14 5 0 26.90 2.47 -14 -5 0 29.32 2.62 14 -5 0 28.26 2.44 0 -6 0 36.52 2.23 0 -6 0 35.92 2.24 0 -6 0 37.32 2.34 -1 -6 0 3.46 0.48 1 -6 0 4.44 0.56 -1 -6 0 4.66 0.55 1 -6 0 3.95 0.63 1 -6 0 4.96 0.61 -1 -6 0 4.56 0.61 2 -6 0 29.17 1.97 2 -6 0 33.31 2.09 -2 -6 0 30.76 1.95 2 -6 0 29.13 1.96 -2 -6 0 33.70 2.06 -2 -6 0 32.48 1.92 2 6 0 29.87 1.93 -3 -6 0 -0.64 0.30 -3 6 0 -0.32 0.42 3 -6 0 0.00 0.34 -3 -6 0 0.08 0.30 -3 -6 0 0.00 0.25 -3 -6 0 0.03 0.31 3 6 0 -0.25 0.26 3 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8.83 6 8 0 146.26 8.41 6 -8 0 147.36 8.62 -6 -8 0 142.67 8.59 -6 -8 0 146.12 8.55 -6 -8 0 148.71 8.63 6 8 0 150.68 8.60 6 -8 0 141.67 8.60 6 -8 0 148.67 8.62 -6 -8 0 142.54 8.70 7 8 0 0.45 0.52 7 -8 0 0.32 0.48 -7 8 0 1.32 0.69 7 8 0 0.88 0.43 -7 -8 0 1.22 0.62 7 -8 0 1.38 0.56 7 -8 0 1.12 0.54 -7 -8 0 1.44 0.55 -7 -8 0 2.00 0.69 8 -8 0 171.54 10.18 -8 -8 0 167.98 10.11 8 -8 0 169.55 10.12 8 -8 0 180.90 10.21 -8 8 0 172.57 10.33 -8 -8 0 176.13 10.32 -8 -8 0 176.44 10.23 9 -8 0 0.29 0.52 -9 8 0 0.22 0.63 9 -8 0 0.69 0.60 9 -8 0 -0.27 0.55 -9 -8 0 0.58 0.73 -9 -8 0 -0.17 0.66 -10 8 0 125.02 7.52 -10 -8 0 118.55 7.44 10 -8 0 124.17 7.40 10 -8 0 118.22 7.38 -10 -8 0 125.02 7.55 10 -8 0 119.17 7.26 -11 -8 0 3.01 0.94 -11 8 0 1.92 0.85 11 -8 0 2.59 0.86 11 -8 0 1.75 0.77 11 -8 0 1.92 0.66 -11 -8 0 3.99 1.02 -12 8 0 25.65 2.30 12 -8 0 28.48 2.29 -12 -8 0 23.55 2.35 -12 -8 0 22.96 2.28 12 -8 0 26.19 2.24 12 -8 0 24.24 1.99 13 -8 0 0.02 0.78 -13 -8 0 0.04 0.82 -13 -8 0 -0.77 0.85 -13 8 0 0.20 0.78 0 -9 0 206.65 12.08 0 -9 0 213.69 11.97 0 -9 0 207.17 11.92 -1 -9 0 0.04 0.47 1 -9 0 -0.12 0.33 1 -9 0 -0.49 0.32 -1 -9 0 0.39 0.32 -1 -9 0 -0.02 0.28 1 -9 0 0.62 0.43 2 -9 0 58.57 3.46 -2 -9 0 52.53 3.28 2 -9 0 55.94 3.42 -2 -9 0 51.13 3.35 -2 -9 0 54.64 3.51 2 -9 0 58.89 3.53 -3 -9 0 0.54 0.35 -3 -9 0 0.64 0.46 3 -9 0 0.87 0.42 3 -9 0 0.59 0.51 3 -9 0 0.43 0.38 3 9 0 0.06 0.44 -3 -9 0 0.38 0.38 -4 -9 0 32.32 2.47 4 -9 0 36.10 2.51 -4 -9 0 36.21 2.36 4 -9 0 35.06 2.38 -4 -9 0 36.72 2.46 4 9 0 35.18 2.26 -4 -9 0 34.84 2.27 4 -9 0 36.14 2.36 5 -9 0 1.45 0.52 5 -9 0 0.75 0.48 -5 9 0 1.35 0.79 5 -9 0 1.67 0.60 5 9 0 0.17 0.41 -5 -9 0 1.68 0.61 -5 -9 0 0.93 0.50 -5 -9 0 0.92 0.56 -5 -9 0 2.09 0.48 -6 -9 0 166.34 9.38 -6 -9 0 164.15 9.38 -6 -9 0 144.63 9.25 6 -9 0 160.08 9.41 6 -9 0 158.81 9.37 -6 -9 0 158.68 9.48 6 9 0 160.18 9.15 6 -9 0 160.68 9.38 -6 9 0 168.32 9.62 -7 -9 0 4.41 0.91 7 -9 0 3.93 0.76 -7 -9 0 3.08 0.76 -7 -9 0 3.97 0.76 -7 9 0 3.91 0.98 7 -9 0 3.69 0.77 7 -9 0 3.55 0.72 8 -9 0 159.65 9.25 -8 9 0 159.26 9.43 -8 -9 0 147.47 9.32 -8 -9 0 160.55 9.28 8 -9 0 163.76 9.27 -8 -9 0 152.72 9.16 8 -9 0 147.93 9.17 -9 -9 0 -0.16 0.69 -9 9 0 0.20 0.68 -9 -9 0 1.61 0.78 9 -9 0 0.62 0.63 9 -9 0 -0.23 0.52 9 -9 0 -0.90 0.55 -10 -9 0 72.84 4.75 -10 -9 0 72.52 4.79 10 -9 0 73.06 4.68 10 -9 0 71.74 4.55 -10 9 0 69.89 4.77 10 -9 0 70.18 4.64 11 -9 0 1.07 0.78 -11 -9 0 3.04 1.01 -11 -9 0 3.83 1.08 -11 9 0 2.12 0.95 11 -9 0 2.20 0.73 11 -9 0 2.46 0.93 -12 -9 0 31.07 2.58 12 -9 0 28.12 2.37 12 -9 0 23.75 2.33 -12 9 0 27.18 2.44 12 -9 0 25.54 2.17 -12 -9 0 28.45 2.50 0 -10 0 79.74 4.83 0 -10 0 77.78 4.62 0 -10 0 77.78 4.68 1 -10 0 -0.46 0.37 -1 -10 0 0.55 0.37 -1 -10 0 -0.04 0.30 1 -10 0 -0.21 0.42 -1 -10 0 -0.12 0.49 1 -10 0 0.04 0.40 -2 -10 0 21.28 1.53 2 -10 0 19.47 1.58 2 -10 0 18.39 1.63 2 -10 0 21.55 1.63 -2 -10 0 20.39 1.71 -2 -10 0 20.98 1.42 3 -10 0 4.50 0.81 3 -10 0 3.73 0.67 3 -10 0 4.99 0.73 -3 -10 0 4.62 0.58 -3 -10 0 3.44 0.75 -3 -10 0 4.59 0.68 -4 -10 0 3.38 0.82 -4 -10 0 3.48 0.67 4 -10 0 4.59 0.72 -4 -10 0 4.20 0.61 4 -10 0 5.94 0.92 -4 -10 0 4.52 0.81 4 10 0 5.01 0.71 4 -10 0 5.39 0.79 5 -10 0 0.72 0.67 5 10 0 0.28 0.46 -5 -10 0 1.22 0.48 5 -10 0 0.80 0.55 -5 -10 0 0.34 0.57 5 -10 0 1.47 0.58 -5 -10 0 1.71 0.67 -5 -10 0 1.57 0.58 6 -10 0 33.93 2.51 -6 -10 0 36.44 2.66 6 -10 0 37.11 2.51 -6 10 0 33.63 2.78 -6 -10 0 39.67 2.55 -6 -10 0 36.19 2.55 6 -10 0 38.16 2.65 -6 -10 0 30.11 2.35 -7 -10 0 0.88 0.68 7 -10 0 0.29 0.59 -7 -10 0 -0.09 0.68 7 -10 0 0.92 0.61 7 -10 0 -0.24 0.66 -7 -10 0 0.77 0.61 -7 10 0 0.24 0.75 8 -10 0 37.97 2.80 -8 -10 0 40.80 2.90 -8 10 0 40.78 3.10 8 -10 0 36.66 2.81 8 -10 0 38.80 2.86 -8 -10 0 41.61 2.80 -8 -10 0 40.74 2.96 -9 10 0 0.12 0.68 -9 -10 0 -0.56 0.74 9 -10 0 -1.17 0.57 9 -10 0 -0.17 0.60 9 -10 0 0.64 0.66 -9 -10 0 -0.35 0.65 -10 -10 0 8.50 1.31 -10 -10 0 8.53 1.41 10 -10 0 10.81 1.46 10 -10 0 10.52 1.32 -10 10 0 11.06 1.60 10 -10 0 8.05 1.25 11 -10 0 0.86 0.67 11 -10 0 -0.36 0.72 -11 -10 0 1.11 0.84 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1.26 0.80 7 -11 0 -0.04 0.74 7 -11 0 1.03 0.71 -7 -11 0 1.59 0.78 7 -11 0 0.74 0.67 8 -11 0 4.56 0.97 -8 -11 0 3.47 0.94 -8 11 0 2.61 1.03 8 -11 0 4.73 0.90 -8 -11 0 4.40 1.10 8 -11 0 3.92 0.97 -8 -11 0 4.57 0.94 -9 11 0 0.60 0.86 9 -11 0 0.32 0.73 9 -11 0 0.63 0.74 9 -11 0 0.02 0.69 -9 -11 0 0.88 0.87 -9 -11 0 0.44 0.84 -10 -11 0 1.38 0.87 -10 11 0 1.43 1.03 10 -11 0 1.70 0.81 -10 -11 0 1.86 0.94 10 -11 0 1.08 0.77 10 -11 0 1.16 0.84 11 -11 0 1.39 0.88 11 -11 0 2.14 0.96 -11 11 0 0.09 0.86 -11 -11 0 0.93 0.92 11 -11 0 2.04 0.89 -11 -11 0 1.54 0.86 0 -12 0 42.11 3.05 0 -12 0 46.50 2.90 0 -12 0 44.63 2.78 1 -12 0 22.23 1.82 -1 -12 0 20.37 1.82 1 -12 0 19.11 1.51 -1 -12 0 20.65 1.58 1 -12 0 19.90 1.58 -1 -12 0 21.09 1.46 -2 -12 0 92.86 5.16 -2 -12 0 89.24 5.47 2 -12 0 88.13 5.31 2 -12 0 87.54 5.42 2 -12 0 82.68 5.25 -2 -12 0 84.61 5.25 -3 -12 0 2.10 0.61 -3 -12 0 2.79 0.51 -3 -12 0 1.57 0.77 3 -12 0 1.72 0.65 3 -12 0 1.48 0.65 3 -12 0 1.36 0.68 -4 -12 0 63.61 4.31 -4 -12 0 60.02 4.04 -4 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18 1.17 0.77 5 3 18 1.17 0.78 5 3 18 0.86 0.76 -5 -3 18 0.30 0.82 -6 3 18 15.48 1.88 -6 3 18 19.49 1.92 6 -3 18 16.78 1.79 -6 -3 18 14.70 1.82 6 3 18 14.61 1.86 -6 -3 18 13.79 1.94 -6 3 -18 14.98 2.08 6 -3 -18 14.14 1.72 -6 -3 18 16.48 1.79 6 3 18 16.18 1.85 0 -4 18 53.58 3.83 0 -4 18 48.74 3.70 0 -4 18 49.17 3.39 0 4 18 54.08 3.72 0 4 18 47.95 3.51 1 -4 18 0.65 0.65 -1 4 18 -0.19 0.67 -1 4 18 -0.35 0.65 1 -4 18 -0.55 0.76 1 -4 18 0.41 0.73 -1 -4 18 -0.73 0.71 -1 -4 18 0.84 0.83 1 4 18 -0.51 0.67 1 4 18 0.04 0.70 2 -4 18 50.15 3.66 -2 4 18 54.27 3.92 2 -4 18 56.89 3.94 -2 4 18 52.07 3.74 2 -4 18 51.47 3.98 -2 -4 18 55.78 3.97 2 4 18 59.60 3.95 2 4 18 55.13 3.80 -2 -4 18 55.76 4.08 -2 -4 18 58.48 4.00 3 -4 18 8.05 1.25 -3 4 18 4.64 1.09 -3 4 18 7.65 1.22 3 -4 18 2.75 1.02 3 -4 18 5.60 0.97 3 4 18 2.51 0.96 -3 -4 18 6.12 1.30 -3 -4 18 6.39 1.14 -3 -4 18 5.17 1.12 3 4 18 2.80 0.97 4 -4 18 22.29 2.38 -4 4 18 24.74 2.18 4 -4 18 23.28 2.11 -4 4 18 27.42 2.32 4 4 18 25.32 2.27 4 4 18 22.69 2.20 -4 -4 18 20.81 2.22 -4 -4 18 24.65 2.29 -4 -4 18 26.88 2.54 5 -4 18 1.38 0.78 5 -4 18 1.72 1.04 -5 4 18 0.93 0.85 -5 4 18 0.74 0.82 -5 -4 18 1.01 0.77 -5 -4 18 -0.11 0.73 5 4 18 0.57 0.81 -5 -4 18 0.34 0.90 5 4 18 0.91 0.82 5 -4 -18 0.53 0.67 -6 4 18 41.46 3.35 -6 4 18 48.04 3.49 6 -4 18 44.80 3.32 6 4 18 47.85 3.42 -6 4 -18 41.19 3.30 -6 -4 18 45.32 3.71 6 -4 -18 44.60 3.26 -6 -4 18 47.00 3.47 -6 -4 18 42.98 3.32 0 -5 18 46.66 3.30 0 5 18 43.24 3.15 0 5 18 36.68 2.95 0 -5 18 34.25 3.11 1 -5 18 1.41 0.68 -1 5 18 -0.44 0.68 1 -5 18 0.82 0.77 -1 5 18 0.10 0.78 1 -5 18 0.20 0.89 -1 -5 18 1.28 0.89 1 5 18 1.37 0.83 1 5 18 0.45 0.78 -1 -5 18 0.79 0.89 2 -5 18 34.69 3.01 -2 5 18 31.04 2.74 -2 5 18 36.57 2.94 2 -5 18 39.26 2.70 2 -5 18 37.81 2.95 -2 -5 18 35.50 2.91 2 5 18 38.54 2.94 2 5 18 33.01 2.78 -2 -5 18 32.58 2.99 -3 5 18 0.32 0.72 3 -5 18 1.11 0.77 3 -5 18 0.23 0.77 -3 5 18 0.57 0.74 3 -5 18 0.50 0.66 -3 -5 18 -0.98 0.75 3 5 18 -0.20 0.73 3 5 18 0.46 0.77 -3 -5 18 1.09 0.81 -4 5 18 20.79 2.12 -4 5 18 17.48 1.95 4 -5 18 19.39 1.90 4 -5 18 21.46 2.31 4 5 18 19.73 2.03 4 -5 -18 20.64 1.93 4 5 18 18.34 2.06 -4 -5 18 20.31 2.26 -4 -5 18 22.12 2.16 -4 -5 18 21.18 2.07 -5 5 18 1.73 0.85 5 -5 18 2.75 0.92 -5 5 18 0.47 0.85 5 -5 18 2.46 1.01 5 5 18 1.63 0.92 5 5 18 1.39 0.93 -5 -5 18 1.08 0.82 -5 -5 18 1.77 1.02 -5 5 -18 2.44 1.34 -5 -5 18 0.93 0.83 5 -5 -18 1.17 0.70 0 6 18 6.81 1.28 0 -6 18 8.04 1.38 0 -6 18 7.76 1.37 0 6 18 5.28 1.18 -1 6 18 0.07 0.84 1 -6 18 0.78 0.87 1 -6 18 -0.22 0.81 -1 6 18 1.25 0.88 1 6 18 0.22 0.83 -1 -6 18 0.03 0.82 -1 -6 18 0.04 0.78 1 6 18 -0.02 0.76 2 -6 18 2.84 0.80 2 -6 18 2.94 1.04 2 -6 18 1.86 0.96 -2 6 18 3.19 1.00 -2 6 18 1.34 0.90 2 6 18 3.94 1.03 -2 -6 18 2.25 0.93 -2 -6 18 2.97 1.08 2 6 18 1.56 0.84 3 -6 18 0.60 0.68 3 -6 18 1.61 0.89 -3 6 18 1.35 0.88 3 -6 18 0.94 0.80 -3 6 18 0.88 0.80 -3 -6 18 -0.09 0.84 -3 -6 18 1.61 0.92 3 6 18 1.93 0.98 3 6 18 1.26 0.88 4 -6 18 2.15 0.85 -4 6 18 1.50 0.81 -4 6 18 1.96 0.99 4 -6 18 0.30 0.94 -4 -6 18 1.00 0.84 -4 -6 18 2.25 1.05 4 -6 -18 1.27 0.71 4 6 18 1.18 0.84 4 6 18 2.04 0.95 -5 6 18 -0.70 0.82 -5 6 18 0.58 0.89 5 -6 18 0.35 0.73 5 -6 18 0.48 0.87 -5 6 -18 0.16 0.91 5 6 18 0.08 0.77 5 -6 -18 0.99 0.67 5 -6 -18 0.56 0.59 5 6 18 -1.84 0.84 -5 -6 18 0.37 0.82 -5 -6 18 1.25 0.99 -5 -6 18 0.85 0.74 0 7 18 2.17 0.98 0 -7 18 0.51 0.87 0 -7 18 1.01 0.89 0 7 18 0.57 0.83 -1 7 18 -0.68 0.75 1 -7 18 0.50 0.88 1 -7 18 0.40 0.85 -1 7 18 1.15 0.83 -1 -7 18 0.48 0.96 -1 -7 18 0.34 0.90 1 7 18 0.85 0.86 1 7 18 0.64 0.90 -2 7 18 3.43 1.08 2 -7 18 3.61 1.17 2 -7 18 6.19 1.25 -2 7 18 3.74 1.10 2 7 18 4.59 1.12 -2 -7 18 3.15 1.08 -2 -7 18 5.16 1.19 2 7 18 3.90 1.06 -3 7 18 0.06 0.81 -3 7 18 1.34 0.88 3 -7 18 0.78 0.87 3 -7 18 0.11 0.82 3 -7 18 0.40 0.72 -3 -7 18 -0.42 0.76 3 7 18 1.54 0.91 -3 -7 18 1.30 1.00 3 7 18 2.03 0.94 3 -7 -18 -0.05 0.56 4 -7 18 6.00 1.31 -4 7 18 5.81 1.24 4 -7 18 5.19 1.03 -4 7 18 5.15 1.23 -4 -7 18 5.63 1.33 4 -7 -18 3.67 0.76 4 7 18 5.55 1.22 -4 -7 18 3.82 1.16 4 7 18 2.98 1.01 4 -7 -18 3.96 0.90 0 8 18 18.25 2.00 0 8 18 16.33 2.07 0 -8 18 17.08 2.07 0 -8 18 18.44 2.15 -1 8 18 1.45 0.98 1 -8 18 1.99 0.93 -1 8 18 2.77 1.07 1 -8 18 2.09 1.03 1 8 18 0.98 0.95 -1 -8 18 2.42 1.00 -1 -8 18 1.68 0.97 1 8 18 0.79 0.94 -2 8 18 20.03 2.11 -2 8 18 20.54 2.16 2 -8 18 23.35 2.34 2 -8 18 23.17 2.32 2 8 18 20.30 2.17 -2 -8 18 16.13 2.14 2 -8 -18 20.64 1.85 2 8 18 20.02 2.18 -2 -8 18 17.68 2.27 0 0 19 -0.36 0.56 0 0 19 0.10 0.75 0 0 19 0.96 0.83 -1 0 19 0.29 0.74 -1 0 19 -0.20 0.68 1 0 19 0.15 0.61 1 0 19 0.76 0.73 1 0 19 0.42 0.70 -1 0 19 0.61 0.64 -2 0 19 2.27 0.86 -2 0 19 2.47 0.81 2 0 19 2.09 0.84 2 0 19 2.57 0.95 -2 0 19 2.31 0.96 -3 0 19 0.52 0.67 -3 0 19 0.54 0.74 -3 0 19 1.74 0.86 3 0 19 -0.28 0.66 3 0 19 0.97 0.70 4 0 19 2.38 0.84 4 0 19 1.69 0.87 -4 0 19 3.50 1.01 -4 0 19 1.88 0.95 -5 0 19 0.39 0.68 -5 0 19 0.62 0.88 5 0 19 1.02 0.81 5 0 19 1.12 0.77 0 -1 19 0.41 0.78 0 1 19 0.60 0.77 0 -1 19 -0.21 0.53 0 1 19 -0.54 0.68 0 -1 19 -0.99 0.61 0 1 19 -0.86 0.52 1 -1 19 11.59 1.42 1 -1 19 10.76 1.53 1 -1 19 9.86 1.51 -1 1 19 10.81 1.56 -1 1 19 11.14 1.61 -1 1 19 13.45 1.47 1 1 19 11.09 1.54 -1 -1 19 13.04 1.74 1 1 19 9.92 1.50 -1 -1 19 14.38 1.71 -1 -1 19 9.08 1.29 1 1 19 12.17 1.45 -2 1 19 1.95 0.92 -2 1 19 2.18 0.76 2 -1 19 2.24 0.94 -2 1 19 5.64 1.16 2 -1 19 3.88 0.93 -2 -1 19 3.37 0.84 -2 -1 19 2.66 0.95 -2 -1 19 1.52 0.91 2 1 19 0.73 0.72 2 1 19 2.75 0.89 3 -1 19 32.12 2.61 -3 1 19 33.31 2.79 -3 1 19 35.18 2.64 -3 1 19 32.26 2.89 3 -1 19 36.72 2.86 -3 -1 19 36.18 2.97 3 1 19 31.69 2.74 3 1 19 33.01 2.65 -3 -1 19 36.56 2.86 -4 1 19 3.13 0.87 -4 1 19 1.84 0.98 4 -1 19 3.91 0.95 -4 1 19 2.10 0.89 4 -1 19 3.36 0.98 -4 -1 19 2.17 1.00 4 1 19 2.27 0.85 4 1 19 4.94 1.10 -4 -1 19 3.21 1.01 -5 1 19 23.65 2.41 5 -1 19 17.92 2.08 5 -1 19 24.26 2.13 -5 1 19 21.78 2.19 -5 -1 19 22.64 2.18 -5 -1 19 20.60 2.34 5 1 19 23.23 2.21 5 1 19 24.60 2.17 0 2 19 -0.68 0.62 0 -2 19 -0.24 0.57 0 -2 19 -0.87 0.66 0 2 19 -0.18 0.65 0 -2 19 -0.10 0.71 -1 2 19 42.03 3.18 -1 2 19 38.97 2.94 1 -2 19 36.70 3.12 1 -2 19 39.28 2.90 1 -2 19 41.57 3.21 -1 -2 19 38.42 2.84 -1 -2 19 42.14 3.26 1 2 19 41.17 2.98 -1 -2 19 43.88 3.25 1 2 19 38.63 3.09 -2 2 19 5.18 1.03 2 -2 19 3.38 0.88 2 -2 19 3.24 1.03 -2 2 19 3.88 1.02 2 -2 19 4.85 1.11 -2 -2 19 4.84 1.14 -2 -2 19 5.66 1.44 2 2 19 3.33 1.06 2 2 19 3.60 0.98 -2 -2 19 3.12 1.06 3 -2 19 54.54 3.91 3 -2 19 61.64 4.18 -3 2 19 68.27 4.25 -3 2 19 53.91 3.92 3 2 19 54.44 3.96 -3 -2 19 59.35 4.30 -3 -2 19 63.60 4.24 3 2 19 51.62 4.02 4 -2 19 0.12 0.67 -4 2 19 0.19 0.73 -4 2 19 0.28 0.70 4 -2 19 -0.27 0.72 -4 -2 19 0.73 0.73 4 2 19 0.40 0.76 -4 -2 19 0.89 0.82 4 2 19 -1.01 0.70 -5 2 19 51.83 3.62 5 -2 19 49.23 3.55 -5 2 19 50.72 3.71 5 -2 19 53.74 3.74 5 2 19 54.12 3.69 -5 -2 19 42.24 3.61 -5 -2 19 53.78 3.97 5 2 19 46.20 3.58 0 3 19 0.33 0.76 0 -3 19 -0.25 0.85 0 -3 19 0.01 0.75 0 3 19 0.13 0.64 0 -3 19 0.78 0.76 0 -3 19 0.60 0.62 1 -3 19 45.19 3.51 1 -3 19 46.79 3.25 -1 3 19 47.82 3.51 1 -3 19 49.07 3.56 -1 3 19 46.11 3.33 -1 -3 19 46.67 3.32 -1 -3 19 47.71 3.52 -1 -3 19 48.37 3.55 -1 -3 19 46.54 3.60 1 3 19 42.11 3.42 1 3 19 43.66 3.30 -2 3 19 0.98 0.75 2 -3 19 0.72 0.64 2 -3 19 0.88 0.78 2 -3 19 2.67 0.94 -2 3 19 0.70 0.77 -2 -3 19 -0.49 0.71 -2 -3 19 1.39 0.83 2 3 19 0.57 0.77 2 3 19 0.17 0.72 -2 -3 19 0.39 0.80 -3 3 19 28.91 2.39 3 -3 19 26.04 2.29 -3 3 19 28.14 2.52 3 -3 19 33.10 2.64 3 3 19 26.31 2.46 -3 -3 19 26.73 2.65 -3 -3 19 34.32 2.68 3 3 19 27.30 2.42 -3 -3 19 26.09 2.43 -4 3 19 0.81 0.81 -4 3 19 -0.18 0.74 4 -3 19 1.64 0.81 -4 -3 19 0.70 0.80 4 3 19 0.92 0.81 4 3 19 0.48 0.79 -4 -3 19 2.61 1.10 -4 -3 19 0.02 0.77 0 -4 19 0.78 0.85 0 4 19 0.01 0.71 0 -4 19 -0.04 0.58 0 4 19 -0.36 0.77 0 -4 19 0.16 0.81 1 -4 19 5.32 1.19 1 -4 19 6.87 1.33 -1 4 19 5.33 1.07 -1 4 19 3.93 1.10 1 -4 19 6.01 1.07 1 4 19 7.41 1.31 -1 -4 19 4.36 1.08 1 4 19 7.35 1.26 -1 -4 19 4.60 1.10 -1 -4 19 8.43 1.43 2 -4 19 0.85 0.72 -2 4 19 0.30 0.74 -2 4 19 0.30 0.80 2 -4 19 2.29 0.77 2 -4 19 0.89 0.84 -2 -4 19 0.09 0.80 -2 -4 19 1.06 0.81 2 4 19 1.21 0.80 -2 -4 19 -0.41 0.81 2 4 19 0.86 0.84 3 -4 19 3.44 0.92 -3 4 19 2.94 0.96 -3 4 19 5.09 1.08 3 -4 19 1.93 1.04 -3 -4 19 3.24 0.97 3 4 19 3.52 0.98 3 4 19 3.23 0.98 -3 -4 19 4.45 1.08 -3 -4 19 5.88 1.28 -4 4 19 0.81 0.80 4 -4 19 -0.13 0.64 -4 4 19 -1.05 0.68 4 4 19 -0.55 0.76 -4 -4 19 -0.36 0.75 -4 -4 19 -0.73 0.63 4 4 19 -1.40 0.75 -4 -4 19 -1.03 0.76 0 5 19 -0.21 0.71 0 -5 19 -0.08 0.80 0 -5 19 -0.94 0.68 0 5 19 0.90 0.78 1 -5 19 5.34 1.25 -1 5 19 4.78 1.16 1 -5 19 5.34 1.21 1 -5 19 7.01 1.29 -1 5 19 7.38 1.24 1 5 19 5.16 1.13 1 5 19 9.41 1.33 -1 -5 19 7.47 1.41 -1 -5 19 6.58 1.33 -2 5 19 1.41 0.87 2 -5 19 2.45 0.90 2 -5 19 1.56 0.76 2 -5 19 3.00 1.01 -2 5 19 -0.04 0.77 -2 -5 19 2.26 0.96 -2 -5 19 1.65 0.93 2 5 19 1.37 0.91 2 5 19 1.47 0.81 -3 5 19 5.59 1.12 3 -5 19 5.93 1.31 -3 5 19 5.08 1.22 3 -5 19 7.03 1.15 3 5 19 6.58 1.26 -3 -5 19 6.43 1.28 -3 -5 19 4.87 1.20 -3 -5 19 7.59 1.45 3 5 19 6.74 1.24 0 6 19 -1.08 0.77 0 -6 19 -0.31 0.78 0 -6 19 -0.87 0.81 0 6 19 -0.16 0.87 -1 6 19 35.19 2.95 -1 6 19 35.48 2.87 1 -6 19 33.01 2.99 1 -6 19 35.37 2.99 1 6 19 36.51 2.87 -1 -6 19 35.98 3.06 1 6 19 38.40 3.03 -1 -6 19 36.35 3.06 2 -6 19 0.78 0.85 -2 6 19 0.19 0.81 -2 6 19 1.77 0.93 2 -6 19 0.75 0.91 -2 -6 19 1.10 0.96 -2 -6 19 1.88 1.05 2 6 19 0.63 0.88 2 6 19 1.14 0.92 0 0 20 31.69 2.69 0 0 20 32.49 2.74 0 0 20 30.08 2.45 1 0 20 -0.78 0.66 1 0 20 0.74 0.81 -1 0 20 -1.08 0.60 -1 0 20 -0.29 0.76 1 0 20 0.59 0.69 -1 0 20 0.28 0.64 -2 0 20 38.69 3.34 -2 0 20 41.30 3.31 2 0 20 41.13 3.29 2 0 20 47.62 3.18 -2 0 20 44.63 3.11 -3 0 20 -0.67 0.68 3 0 20 0.97 0.81 3 0 20 0.62 0.80 -3 0 20 0.30 0.82 -3 0 20 -0.05 0.79 0 -1 20 14.56 1.53 0 -1 20 13.39 1.77 0 1 20 12.67 1.52 0 -1 20 14.90 1.79 0 1 20 11.26 1.66 0 1 20 13.98 1.77 -1 1 20 0.30 0.74 1 -1 20 0.36 0.72 1 -1 20 -0.12 0.78 1 -1 20 0.34 0.69 -1 1 20 1.03 0.86 -1 1 20 0.23 0.67 -1 -1 20 0.24 0.64 -1 -1 20 0.12 0.81 1 1 20 0.28 0.76 -1 -1 20 0.20 0.68 1 1 20 0.31 0.69 -2 1 20 24.33 2.31 2 -1 20 24.77 2.14 -2 1 20 21.13 2.08 2 -1 20 25.05 2.36 -2 1 20 22.73 2.38 2 1 20 25.25 2.20 2 1 20 22.92 2.32 -2 -1 20 23.68 2.19 -2 -1 20 26.87 2.47 -2 -1 20 27.19 2.38 -3 1 20 0.00 0.72 -3 1 20 0.81 0.78 3 -1 20 0.64 0.74 3 -1 20 1.63 0.90 -3 1 20 0.16 0.81 -3 -1 20 0.92 0.88 -3 -1 20 1.21 0.93 3 1 20 0.76 0.70 3 1 20 -0.33 0.78 0 -2 20 1.11 0.85 0 2 20 2.47 0.83 0 -2 20 2.98 1.08 0 2 20 0.75 0.83 0 -2 20 1.15 0.71 -1 2 20 0.22 0.76 1 -2 20 -0.42 0.71 1 -2 20 -0.91 0.66 1 -2 20 -0.42 0.61 -1 2 20 -0.09 0.67 -1 -2 20 0.20 0.76 1 2 20 -0.52 0.62 -1 -2 20 0.28 0.67 -1 -2 20 0.65 0.81 1 2 20 -0.05 0.83 2 -2 20 2.96 0.84 -2 2 20 3.53 0.95 -2 2 20 2.08 0.95 2 -2 20 0.73 0.88 2 2 20 2.52 0.89 2 2 20 1.68 0.91 -2 -2 20 1.77 0.88 -2 -2 20 1.71 0.92 0 3 20 19.82 2.00 0 -3 20 20.75 2.24 0 3 20 24.51 2.23 0 -3 20 22.82 2.20 0 -3 20 18.59 1.88 -1 3 20 0.70 0.72 1 -3 20 0.20 0.72 1 -3 20 0.49 0.80 -1 3 20 -0.19 0.65 1 -3 20 -0.15 0.60 -1 -3 20 -0.52 0.83 1 3 20 0.94 0.83 -1 -3 20 1.11 0.82 1 3 20 1.02 0.75 -2 3 20 9.39 1.41 2 -3 20 10.82 1.55 2 -3 20 11.04 1.47 -2 3 20 9.35 1.52 2 3 20 11.53 1.60 -2 -3 20 10.60 1.65 -2 -3 20 10.74 1.64 2 3 20 8.65 1.41 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 38360 _shelx_shelxl_version_number 2014/7 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y, z' '-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 Pt1 Pt 0.49909(2) 0.38337(2) 0.69543(6) 0.01764(9) Uani 1 1 d . . . . . Cl1 Cl 0.62755(15) 0.49570(14) 0.67691(11) 0.0257(4) Uani 1 1 d . . . . . Cl2 Cl 0.55319(17) 0.31263(14) 0.57806(12) 0.0280(4) Uani 1 1 d . . . . . P1 P 0.44741(16) 0.44784(13) 0.80779(12) 0.0203(4) Uani 1 1 d . . . . . P2 P 0.37011(17) 0.28524(14) 0.72082(12) 0.0224(5) Uani 1 1 d . . . . . C1 C 0.5354(7) 0.4262(5) 0.8907(5) 0.0219(18) Uani 1 1 d . . . . . C2 C 0.6332(7) 0.3803(5) 0.8795(5) 0.0215(18) Uani 1 1 d . . . . . H2 H 0.6510 0.3577 0.8289 0.026 Uiso 1 1 calc R . . . . C3 C 0.7054(7) 0.3675(6) 0.9423(5) 0.029(2) Uani 1 1 d . . . . . H3 H 0.7713 0.3352 0.9347 0.034 Uiso 1 1 calc R . . . . C4 C 0.6803(7) 0.4020(6) 1.0156(5) 0.0264(19) Uani 1 1 d . . . . . H4 H 0.7302 0.3952 1.0579 0.032 Uiso 1 1 calc R . . . . C5 C 0.5822(6) 0.4466(6) 1.0271(5) 0.0261(19) Uani 1 1 d . . . . . H5 H 0.5644 0.4686 1.0779 0.031 Uiso 1 1 calc R . . . . C6 C 0.5099(6) 0.4595(6) 0.9656(5) 0.0215(17) Uani 1 1 d . . . . . H6 H 0.4435 0.4906 0.9740 0.026 Uiso 1 1 calc R . . . . C7 C 0.4327(6) 0.5680(5) 0.8038(5) 0.0238(18) Uani 1 1 d . . . . . C8 C 0.4871(6) 0.6282(6) 0.8531(6) 0.025(2) Uani 1 1 d . . . . . H8 H 0.5383 0.6066 0.8905 0.030 Uiso 1 1 calc R . . . . C9 C 0.4670(8) 0.7181(6) 0.8478(6) 0.037(2) Uani 1 1 d . . . . . H9 H 0.5039 0.7583 0.8819 0.044 Uiso 1 1 calc R . . . . C10 C 0.3933(8) 0.7507(6) 0.7932(6) 0.039(2) Uani 1 1 d . . . . . H10 H 0.3794 0.8131 0.7903 0.047 Uiso 1 1 calc R . . . . C11 C 0.3406(7) 0.6936(6) 0.7436(5) 0.033(2) Uani 1 1 d . . . . . H11 H 0.2903 0.7162 0.7060 0.039 Uiso 1 1 calc R . . . . C12 C 0.3602(7) 0.6026(6) 0.7481(5) 0.028(2) Uani 1 1 d . . . . . H12 H 0.3240 0.5633 0.7128 0.033 Uiso 1 1 calc R . . . . C13 C 0.3114(7) 0.4034(6) 0.8340(5) 0.0241(18) Uani 1 1 d . . . . . H13A H 0.3058 0.3975 0.8919 0.029 Uiso 1 1 calc R . . . . H13B H 0.2543 0.4456 0.8163 0.029 Uiso 1 1 calc R . . . . C14 C 0.2928(6) 0.3139(6) 0.7963(5) 0.0264(19) Uani 1 1 d . . . . . H14 H 0.2379 0.2747 0.8155 0.032 Uiso 1 1 calc R . . . . C15 C 0.3383(6) 0.1806(5) 0.6715(4) 0.0219(18) Uani 1 1 d . . . . . C16 C 0.2613(7) 0.1802(6) 0.6086(5) 0.0242(18) Uani 1 1 d . . . . . C17 C 0.2433(7) 0.0984(6) 0.5714(5) 0.0268(19) Uani 1 1 d . . . . . H17 H 0.1931 0.0981 0.5289 0.032 Uiso 1 1 calc R . . . . C18 C 0.2910(6) 0.0188(6) 0.5905(5) 0.0243(19) Uani 1 1 d . . . . . C19 C 0.3677(7) 0.0225(6) 0.6513(5) 0.0266(19) Uani 1 1 d . . . . . H19 H 0.4045 -0.0310 0.6652 0.032 Uiso 1 1 calc R . . . . C20 C 0.3934(6) 0.1002(5) 0.6927(6) 0.0239(16) Uani 1 1 d . . . . . C21 C 0.1879(6) 0.2596(5) 0.5827(5) 0.0247(18) Uani 1 1 d . . . . . C22 C 0.2557(7) 0.3445(5) 0.5662(5) 0.0277(19) Uani 1 1 d . . . . . H22A H 0.3138 0.3305 0.5285 0.042 Uiso 1 1 calc GR . . . . H22B H 0.2882 0.3660 0.6153 0.042 Uiso 1 1 calc GR . . . . H22C H 0.2083 0.3909 0.5442 0.042 Uiso 1 1 calc GR . . . . C23 C 0.0992(7) 0.2750(6) 0.6455(5) 0.031(2) Uani 1 1 d . . . . . H23A H 0.1333 0.2956 0.6943 0.046 Uiso 1 1 calc GR . . . . H23B H 0.0603 0.2189 0.6553 0.046 Uiso 1 1 calc GR . . . . H23C H 0.0475 0.3201 0.6267 0.046 Uiso 1 1 calc GR . . . . C24 C 0.1279(8) 0.2397(6) 0.5049(5) 0.033(2) Uani 1 1 d . . . . . H24A H 0.0786 0.1889 0.5124 0.049 Uiso 1 1 calc GR . . . . H24B H 0.1814 0.2252 0.4640 0.049 Uiso 1 1 calc GR . . . . H24C H 0.0857 0.2922 0.4890 0.049 Uiso 1 1 calc GR . . . . C25 C 0.2678(7) -0.0668(6) 0.5448(5) 0.031(2) Uani 1 1 d . . . . . C26 C 0.1448(7) -0.0763(6) 0.5279(6) 0.033(2) Uani 1 1 d . . . . . H26A H 0.1200 -0.0255 0.4964 0.050 Uiso 1 1 calc GR . . . . H26B H 0.1045 -0.0777 0.5777 0.050 Uiso 1 1 calc GR . . . . H26C H 0.1316 -0.1319 0.4989 0.050 Uiso 1 1 calc GR . . . . C27 C 0.3035(9) -0.1497(6) 0.5902(7) 0.047(3) Uani 1 1 d . . . . . H27A H 0.2713 -0.1486 0.6429 0.070 Uiso 1 1 calc GR . . . . H27B H 0.3832 -0.1504 0.5945 0.070 Uiso 1 1 calc GR . . . . H27C H 0.2789 -0.2033 0.5623 0.070 Uiso 1 1 calc GR . . . . C28 C 0.3287(8) -0.0622(7) 0.4671(6) 0.048(3) Uani 1 1 d . . . . . H28A H 0.4074 -0.0603 0.4771 0.072 Uiso 1 1 calc GR . . . . H28B H 0.3067 -0.0082 0.4386 0.072 Uiso 1 1 calc GR . . . . H28C H 0.3112 -0.1150 0.4354 0.072 Uiso 1 1 calc GR . . . . C29 C 0.4753(8) 0.0892(6) 0.7621(6) 0.030(2) Uani 1 1 d . . . . . C30 C 0.4082(8) 0.0856(7) 0.8376(5) 0.038(2) Uani 1 1 d . . . . . H30A H 0.3704 0.1426 0.8451 0.056 Uiso 1 1 calc GR . . . . H30B H 0.4567 0.0745 0.8824 0.056 Uiso 1 1 calc GR . . . . H30C H 0.3545 0.0373 0.8338 0.056 Uiso 1 1 calc GR . . . . C31 C 0.5611(8) 0.1644(6) 0.7661(5) 0.034(2) Uani 1 1 d . . . . . H31A H 0.6231 0.1447 0.7982 0.051 Uiso 1 1 calc GR . . . . H31B H 0.5284 0.2177 0.7899 0.051 Uiso 1 1 calc GR . . . . H31C H 0.5865 0.1787 0.7129 0.051 Uiso 1 1 calc GR . . . . C32 C 0.5413(8) 0.0018(6) 0.7560(5) 0.032(2) Uani 1 1 d . . . . . H32A H 0.5959 -0.0001 0.7981 0.048 Uiso 1 1 calc GR . . . . H32B H 0.5781 -0.0008 0.7049 0.048 Uiso 1 1 calc GR . . . . H32C H 0.4920 -0.0494 0.7611 0.048 Uiso 1 1 calc GR . . . . 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 Pt1 0.01708(14) 0.01972(14) 0.01613(15) 0.0003(2) 0.00102(11) -0.00069(11) Cl1 0.0207(9) 0.0277(10) 0.0287(12) 0.0026(8) 0.0013(8) -0.0043(8) Cl2 0.0277(11) 0.0334(11) 0.0229(10) -0.0040(9) 0.0048(9) -0.0019(9) P1 0.0175(10) 0.0231(11) 0.0201(10) 0.0000(9) 0.0012(9) -0.0027(9) P2 0.0230(11) 0.0231(10) 0.0211(11) -0.0005(8) 0.0011(8) -0.0030(9) C1 0.025(4) 0.017(4) 0.024(5) 0.002(3) 0.000(3) -0.003(3) C2 0.017(4) 0.032(5) 0.015(4) -0.001(3) 0.000(3) -0.002(3) C3 0.022(4) 0.038(5) 0.027(5) 0.002(4) 0.007(4) 0.004(4) C4 0.026(5) 0.034(5) 0.019(4) 0.000(4) -0.006(4) -0.003(4) C5 0.021(4) 0.032(5) 0.025(5) -0.005(4) 0.001(3) -0.005(4) C6 0.024(4) 0.019(4) 0.021(4) 0.001(3) 0.002(3) 0.000(3) C7 0.021(4) 0.028(5) 0.023(4) -0.004(4) 0.008(4) -0.002(3) C8 0.023(5) 0.027(5) 0.026(5) -0.003(4) 0.001(3) -0.001(3) C9 0.043(5) 0.027(5) 0.040(6) -0.001(4) 0.013(5) -0.006(4) C10 0.045(6) 0.025(5) 0.047(6) 0.006(5) 0.013(5) 0.003(4) C11 0.030(5) 0.030(5) 0.038(6) 0.011(4) 0.006(4) 0.010(4) C12 0.023(5) 0.035(5) 0.025(5) 0.002(4) 0.005(4) -0.002(4) C13 0.021(4) 0.029(5) 0.022(4) -0.002(4) -0.001(4) 0.006(4) C14 0.022(5) 0.034(5) 0.023(5) 0.005(4) -0.002(3) -0.008(4) C15 0.020(4) 0.026(4) 0.020(4) -0.002(3) 0.003(3) -0.001(3) C16 0.025(4) 0.026(5) 0.022(4) 0.006(4) 0.000(3) 0.000(3) C17 0.023(5) 0.034(5) 0.023(5) 0.005(4) -0.001(4) 0.000(4) C18 0.019(4) 0.031(5) 0.023(5) 0.000(4) 0.005(4) -0.004(3) C19 0.028(5) 0.026(5) 0.026(5) 0.001(3) 0.005(4) 0.005(4) C20 0.025(4) 0.025(4) 0.022(4) 0.004(4) 0.003(4) -0.003(3) C21 0.024(4) 0.025(5) 0.026(4) -0.002(4) -0.004(4) 0.001(3) C22 0.028(5) 0.028(5) 0.027(5) 0.002(4) -0.001(4) 0.001(4) C23 0.027(5) 0.031(5) 0.033(5) 0.003(4) 0.003(4) -0.001(4) C24 0.037(5) 0.038(5) 0.023(5) -0.002(4) -0.005(4) 0.007(4) C25 0.032(5) 0.031(5) 0.029(5) -0.007(4) 0.000(4) -0.004(4) C26 0.036(5) 0.028(5) 0.036(5) -0.003(4) -0.008(4) -0.003(4) C27 0.052(7) 0.028(5) 0.060(7) -0.018(5) -0.013(6) 0.007(5) C28 0.048(6) 0.056(7) 0.041(6) -0.025(6) 0.016(5) -0.013(5) C29 0.043(6) 0.020(4) 0.027(5) 0.005(4) -0.004(4) -0.002(4) C30 0.031(5) 0.055(6) 0.026(5) 0.005(5) -0.004(4) 0.003(5) C31 0.036(6) 0.033(5) 0.034(5) 0.000(4) -0.010(4) -0.013(4) C32 0.027(5) 0.037(5) 0.033(5) -0.001(4) -0.010(4) 0.000(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 '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 Cl1 Pt1 Cl2 91.15(7) . . P1 Pt1 Cl1 89.73(7) . . P1 Pt1 Cl2 178.89(8) . . P2 Pt1 Cl1 174.72(8) . . P2 Pt1 Cl2 93.91(8) . . P2 Pt1 P1 85.24(8) . . C1 P1 Pt1 114.9(3) . . C1 P1 C7 105.5(4) . . C1 P1 C13 106.6(4) . . C7 P1 Pt1 115.2(3) . . C7 P1 C13 106.1(4) . . C13 P1 Pt1 107.8(3) . . C14 P2 Pt1 113.0(3) . . C14 P2 C15 117.3(4) . . C15 P2 Pt1 129.7(3) . . C2 C1 P1 119.7(6) . . C2 C1 C6 119.3(8) . . C6 C1 P1 120.8(6) . . C1 C2 H2 119.8 . . C1 C2 C3 120.4(8) . . C3 C2 H2 119.8 . . C2 C3 H3 120.1 . . C4 C3 C2 119.7(8) . . C4 C3 H3 120.1 . . C3 C4 H4 120.0 . . C3 C4 C5 119.9(8) . . C5 C4 H4 120.0 . . C4 C5 H5 119.5 . . C6 C5 C4 120.9(8) . . C6 C5 H5 119.5 . . C1 C6 H6 120.2 . . C5 C6 C1 119.7(8) . . C5 C6 H6 120.2 . . C8 C7 P1 124.8(7) . . C8 C7 C12 118.0(8) . . C12 C7 P1 117.2(6) . . C7 C8 H8 119.8 . . C9 C8 C7 120.5(9) . . C9 C8 H8 119.8 . . C8 C9 H9 119.8 . . C8 C9 C10 120.5(10) . . C10 C9 H9 119.8 . . C9 C10 H10 119.9 . . C11 C10 C9 120.1(9) . . C11 C10 H10 119.9 . . C10 C11 H11 120.0 . . C10 C11 C12 120.1(9) . . C12 C11 H11 120.0 . . C7 C12 H12 119.6 . . C11 C12 C7 120.7(8) . . C11 C12 H12 119.6 . . P1 C13 H13A 109.5 . . P1 C13 H13B 109.5 . . H13A C13 H13B 108.1 . . C14 C13 P1 110.8(5) . . C14 C13 H13A 109.5 . . C14 C13 H13B 109.5 . . P2 C14 H14 120.8 . . C13 C14 P2 118.4(6) . . C13 C14 H14 120.8 . . C16 C15 P2 119.4(6) . . C16 C15 C20 119.9(7) . . C20 C15 P2 120.6(6) . . C15 C16 C21 126.2(7) . . C17 C16 C15 116.6(8) . . C17 C16 C21 116.9(7) . . C16 C17 H17 116.9 . . C18 C17 C16 126.2(9) . . C18 C17 H17 116.9 . . C17 C18 C19 115.3(8) . . C17 C18 C25 122.1(8) . . C19 C18 C25 122.4(7) . . C18 C19 H19 118.0 . . C20 C19 C18 123.9(8) . . C20 C19 H19 118.0 . . C15 C20 C29 125.8(7) . . C19 C20 C15 118.0(8) . . C19 C20 C29 116.1(7) . . C22 C21 C16 111.7(7) . . C22 C21 C23 112.6(7) . . C23 C21 C16 109.0(7) . . C24 C21 C16 111.7(7) . . C24 C21 C22 105.1(7) . . C24 C21 C23 106.7(7) . . C21 C22 H22A 109.5 . . C21 C22 H22B 109.5 . . C21 C22 H22C 109.5 . . H22A C22 H22B 109.5 . . H22A C22 H22C 109.5 . . H22B C22 H22C 109.5 . . C21 C23 H23A 109.5 . . C21 C23 H23B 109.5 . . C21 C23 H23C 109.5 . . H23A C23 H23B 109.5 . . H23A C23 H23C 109.5 . . H23B C23 H23C 109.5 . . C21 C24 H24A 109.5 . . C21 C24 H24B 109.5 . . C21 C24 H24C 109.5 . . H24A C24 H24B 109.5 . . H24A C24 H24C 109.5 . . H24B C24 H24C 109.5 . . C18 C25 C26 110.8(7) . . C27 C25 C18 111.9(7) . . C27 C25 C26 107.5(8) . . C27 C25 C28 109.7(8) . . C28 C25 C18 108.2(7) . . C28 C25 C26 108.8(8) . . C25 C26 H26A 109.5 . . C25 C26 H26B 109.5 . . C25 C26 H26C 109.5 . . H26A C26 H26B 109.5 . . H26A C26 H26C 109.5 . . H26B C26 H26C 109.5 . . C25 C27 H27A 109.5 . . C25 C27 H27B 109.5 . . C25 C27 H27C 109.5 . . H27A C27 H27B 109.5 . . H27A C27 H27C 109.5 . . H27B C27 H27C 109.5 . . C25 C28 H28A 109.5 . . C25 C28 H28B 109.5 . . C25 C28 H28C 109.5 . . H28A C28 H28B 109.5 . . H28A C28 H28C 109.5 . . H28B C28 H28C 109.5 . . C30 C29 C20 107.1(7) . . C30 C29 C31 110.8(8) . . C30 C29 C32 108.0(8) . . C31 C29 C20 113.4(7) . . C31 C29 C32 105.4(8) . . C32 C29 C20 112.1(8) . . C29 C30 H30A 109.5 . . C29 C30 H30B 109.5 . . C29 C30 H30C 109.5 . . H30A C30 H30B 109.5 . . H30A C30 H30C 109.5 . . H30B C30 H30C 109.5 . . C29 C31 H31A 109.5 . . C29 C31 H31B 109.5 . . C29 C31 H31C 109.5 . . H31A C31 H31B 109.5 . . H31A C31 H31C 109.5 . . H31B C31 H31C 109.5 . . C29 C32 H32A 109.5 . . C29 C32 H32B 109.5 . . C29 C32 H32C 109.5 . . H32A C32 H32B 109.5 . . H32A C32 H32C 109.5 . . H32B C32 H32C 109.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Pt1 Cl1 2.3257(19) . Pt1 Cl2 2.355(2) . Pt1 P1 2.233(2) . Pt1 P2 2.201(2) . P1 C1 1.804(9) . P1 C7 1.810(8) . P1 C13 1.850(9) . P2 C14 1.653(9) . P2 C15 1.820(8) . C1 C2 1.395(12) . C1 C6 1.403(12) . C2 H2 0.9500 . C2 C3 1.401(12) . C3 H3 0.9500 . C3 C4 1.383(12) . C4 H4 0.9500 . C4 C5 1.390(12) . C5 H5 0.9500 . C5 C6 1.385(12) . C6 H6 0.9500 . C7 C8 1.399(12) . C7 C12 1.400(12) . C8 H8 0.9500 . C8 C9 1.373(13) . C9 H9 0.9500 . C9 C10 1.385(14) . C10 H10 0.9500 . C10 C11 1.364(13) . C11 H11 0.9500 . C11 C12 1.385(12) . C12 H12 0.9500 . C13 H13A 0.9900 . C13 H13B 0.9900 . C13 C14 1.503(12) . C14 H14 0.9500 . C15 C16 1.427(11) . C15 C20 1.428(10) . C16 C17 1.395(12) . C16 C21 1.556(11) . C17 H17 0.9500 . C17 C18 1.368(12) . C18 C19 1.398(11) . C18 C25 1.525(12) . C19 H19 0.9500 . C19 C20 1.396(12) . C20 C29 1.558(13) . C21 C22 1.545(11) . C21 C23 1.541(11) . C21 C24 1.543(11) . C22 H22A 0.9800 . C22 H22B 0.9800 . C22 H22C 0.9800 . C23 H23A 0.9800 . C23 H23B 0.9800 . C23 H23C 0.9800 . C24 H24A 0.9800 . C24 H24B 0.9800 . C24 H24C 0.9800 . C25 C26 1.542(12) . C25 C27 1.525(14) . C25 C28 1.520(12) . C26 H26A 0.9800 . C26 H26B 0.9800 . C26 H26C 0.9800 . C27 H27A 0.9800 . C27 H27B 0.9800 . C27 H27C 0.9800 . C28 H28A 0.9800 . C28 H28B 0.9800 . C28 H28C 0.9800 . C29 C30 1.526(13) . C29 C31 1.543(13) . C29 C32 1.543(13) . C30 H30A 0.9800 . C30 H30B 0.9800 . C30 H30C 0.9800 . C31 H31A 0.9800 . C31 H31B 0.9800 . C31 H31C 0.9800 . C32 H32A 0.9800 . C32 H32B 0.9800 . C32 H32C 0.9800 .