#------------------------------------------------------------------------------ #$Date: 2022-09-28 04:57:05 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278236 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/24/41/2244181.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2244181 loop_ _publ_author_name 'Neils, Thomas' 'LaDuca, Andrew' 'Bender, John E.' 'Staples, Richard J.' 'Biros, Shannon M.' _publ_section_title ; Crystal structure of chlorido[diphenyl(thiophen-2-yl)phosphine-\kP]gold(I) ; _journal_coeditor_code ZL5036 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first ; ; _journal_paper_doi 10.1107/S2056989022009227 _journal_volume 78 _journal_year 2022 _chemical_absolute_configuration ad _chemical_formula_iupac '[Au Cl (C16 H13 P S)]' _chemical_formula_moiety 'C16 H13 Au Cl P S' _chemical_formula_sum 'C16 H13 Au Cl P S' _chemical_formula_weight 500.71 _chemical_name_systematic ; chlorido[diphenyl(thiophen-2-yl)phosphine-\kP]gold(I) ; _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method ; Olex2 1.5 (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.0322(13) _cell_length_b 12.0784(15) _cell_length_c 12.9412(16) _cell_measurement_reflns_used 8845 _cell_measurement_temperature 173.15 _cell_measurement_theta_max 26.02 _cell_measurement_theta_min 2.31 _cell_volume 1568.1(3) _computing_cell_refinement ; SAINT (Bruker, 2013) ; _computing_data_collection ; APEX2 (Bruker, 2013) ; _computing_data_reduction ; SAINT (Bruker, 2013) ; _computing_molecular_graphics ; CrystalMaker (Palmer, 2007) ; _computing_publication_material ; OLEX2 (Dolomanov et al., 2009; Bourhis et al., 2015) ; _computing_structure_refinement ; SHELXL2019/2 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018/2 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 173.15 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker APEXII CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0367 _diffrn_reflns_av_unetI/netI 0.0382 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 13335 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.028 _diffrn_reflns_theta_min 2.307 _diffrn_source_current 40.0 _diffrn_source_power 2.0 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 9.773 _exptl_absorpt_correction_T_max 0.7453 _exptl_absorpt_correction_T_min 0.4736 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_density_diffrn 2.121 _exptl_crystal_description block _exptl_crystal_F_000 944 _exptl_crystal_size_max 0.244 _exptl_crystal_size_mid 0.164 _exptl_crystal_size_min 0.114 _refine_diff_density_max 1.017 _refine_diff_density_min -0.528 _refine_ls_abs_structure_details ; Flack x determined using 1149 quotients [(I^+^)-(I^-^)]/[(I^+^)+(I^-^)] (Parsons et al., 2013) ; _refine_ls_abs_structure_Flack -0.002(6) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 341 _refine_ls_number_reflns 3075 _refine_ls_number_restraints 837 _refine_ls_restrained_S_all 0.983 _refine_ls_R_factor_all 0.0281 _refine_ls_R_factor_gt 0.0254 _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^)+(0.0234P)^2^+0.2535P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0573 _refine_ls_wR_factor_ref 0.0587 _reflns_number_gt 2854 _reflns_number_total 3075 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file zl5036sup1.cif _cod_data_source_block I _cod_database_code 2244181 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.199 _shelx_estimated_absorpt_t_max 0.402 _shelx_hkl_file ; 1 0 0 0.81426 1.20487 1 1 0 0 0.44509 0.74920 2 -1 0 0 5.49899 2.07807 3 -1 0 0 0.07843 1.10359 1 -2 0 0 1560.40 78.0669 3 2 0 0 1642.09 74.4140 2 2 0 0 1542.75 76.7265 1 3 0 0 -1.7812 2.29788 1 -3 0 0 -4.2918 2.05503 3 3 0 0 -2.1907 1.36256 2 4 0 0 1242.49 60.8773 2 4 0 0 1241.17 65.7993 1 -4 0 0 1250.85 67.9381 3 5 0 0 1.11871 1.92542 2 5 0 0 -0.9111 2.53747 1 -5 0 0 7.50420 5.04742 3 6 0 0 2888.69 136.444 2 6 0 0 2913.08 145.071 1 -6 0 0 2772.24 146.540 3 7 0 0 -1.1185 3.25658 1 -7 0 0 0.89225 4.08007 3 -8 0 0 298.035 29.2899 3 8 0 0 275.512 27.0379 1 -9 0 0 3.43297 6.47535 3 9 0 0 0.49977 5.66427 1 10 0 0 422.851 38.5825 1 -10 0 0 396.842 38.7929 3 -11 0 0 -1.6025 7.27865 3 11 0 0 -3.7563 5.33261 1 12 0 0 184.748 27.1548 1 -12 0 0 201.702 28.7570 3 0 -1 0 -1.4229 0.51607 3 -1 1 0 3549.84 168.263 1 -1 -1 0 3784.33 169.383 3 1 1 0 3775.78 170.590 1 1 -1 0 3532.92 169.287 2 -2 1 0 17.5119 3.16157 1 -2 1 0 20.4640 4.26574 3 2 -1 0 9.76500 2.72944 2 -2 -1 0 15.5559 3.62419 3 2 1 0 15.6302 3.96488 1 3 -1 0 586.055 32.3747 1 -3 -1 0 591.324 34.0364 3 -3 1 0 602.255 35.1820 3 -3 1 0 525.251 31.9668 1 3 1 0 610.477 34.6526 1 3 1 0 593.465 28.2924 2 3 -1 0 578.100 31.2683 2 4 -1 0 1512.64 71.7439 2 4 1 0 1407.87 75.8212 1 4 -1 0 1457.69 73.9707 1 -4 -1 0 1374.73 75.6683 3 -4 1 0 1451.55 77.3437 3 -4 1 0 1439.45 74.0698 1 4 1 0 1438.74 68.1969 2 5 1 0 3327.29 154.783 2 -5 -1 0 3377.06 165.231 3 5 1 0 3384.54 164.736 1 -5 1 0 3366.17 166.339 3 5 -1 0 3260.80 158.138 2 5 -1 0 3240.47 162.048 1 6 -1 0 4.21048 3.05557 2 6 -1 0 2.47593 3.43764 1 6 1 0 1.37464 3.59323 1 -6 1 0 -3.2025 3.76137 3 -6 -1 0 3.98369 5.10274 3 6 1 0 2.77434 2.00332 2 7 -1 0 534.473 38.6240 1 7 -1 0 579.782 33.5966 2 -7 1 0 570.041 42.0253 3 7 1 0 546.429 40.1822 1 -7 -1 0 524.661 40.3835 3 8 -1 0 72.6632 13.5425 1 -8 -1 0 45.6920 13.2326 3 8 1 0 86.3005 14.9103 1 -8 1 0 87.4147 15.9821 3 9 -1 0 -1.0712 4.84361 1 -9 1 0 1.11294 6.74618 3 -9 -1 0 1.21553 7.53044 3 9 1 0 0.47450 5.48142 1 10 1 0 159.829 23.4521 1 -10 -1 0 162.670 24.2277 3 10 -1 0 178.666 23.8960 1 -10 1 0 190.877 25.6768 3 -11 1 0 243.643 31.3770 3 11 1 0 282.066 32.3078 1 11 -1 0 260.772 30.7719 1 -11 -1 0 275.329 32.8776 3 12 -1 0 10.2277 9.85346 1 -12 -1 0 8.11893 10.1365 3 -12 1 0 6.34682 9.48348 3 12 1 0 2.82063 8.85752 1 0 -2 0 1292.66 64.2931 2 0 2 0 1342.90 63.2605 1 0 2 0 1308.55 63.4952 3 0 -2 0 1413.31 63.7558 3 -1 -2 0 1862.43 86.0820 3 -1 2 0 1779.52 84.2941 1 -1 -2 0 1785.72 85.0132 2 1 2 0 1799.04 87.3516 1 -1 2 0 1816.90 85.5739 3 1 -2 0 1841.87 87.2046 2 -2 2 0 2251.91 103.699 1 -2 2 0 2096.78 104.804 3 -2 -2 0 2272.10 101.757 2 2 -2 0 2098.15 105.567 2 2 2 0 2222.80 107.884 1 -2 -2 0 2271.30 105.782 3 -3 -2 0 2568.48 121.522 3 -3 2 0 2493.36 121.433 3 3 -2 0 2460.03 119.983 2 -3 2 0 2520.80 119.015 1 3 2 0 2421.76 123.082 1 4 2 0 1923.55 99.8382 1 -4 2 0 1866.22 98.9453 3 4 -2 0 1915.48 95.3429 2 -4 2 0 1940.41 95.7923 1 -4 -2 0 2003.23 98.5243 3 -5 2 0 1078.31 63.0737 3 5 2 0 1055.38 50.8437 2 -5 -2 0 1068.10 61.7084 3 -5 2 0 1172.42 60.1671 1 5 -2 0 1085.64 58.9281 1 5 -2 0 1049.13 57.4891 2 5 2 0 1103.77 63.5622 1 6 -2 0 1694.60 86.9112 2 6 2 0 1665.75 93.4609 1 -6 2 0 1682.89 94.1552 3 6 -2 0 1699.60 89.6991 1 -6 -2 0 1753.59 93.4243 3 7 -2 0 243.502 22.6012 1 7 -2 0 262.712 20.2711 2 7 2 0 238.126 24.5870 1 -7 2 0 278.526 26.5990 3 -7 -2 0 216.795 23.8604 3 -8 2 0 67.1474 14.1802 3 -8 -2 0 76.2834 14.8646 3 8 2 0 60.9619 13.5627 1 8 -2 0 79.1743 13.7175 1 -9 -2 0 1009.05 71.0217 3 9 -2 0 1146.47 70.1509 1 9 2 0 1112.36 72.6227 1 -9 2 0 1148.64 73.2337 3 10 -2 0 67.5970 17.1093 1 10 2 0 52.0546 16.3657 1 -10 2 0 72.4332 18.4415 3 -10 -2 0 64.4802 18.1461 3 11 -2 0 24.7747 11.8950 1 -11 -2 0 31.0044 14.0420 3 11 2 0 25.8983 13.4872 1 -11 2 0 48.0966 16.1720 3 -12 -2 0 203.841 29.8414 3 12 2 0 209.040 30.5870 1 -12 2 0 219.801 30.6983 3 12 -2 0 163.149 25.6053 1 0 3 0 7.77826 2.38937 1 0 3 0 0.03642 1.44995 3 0 -3 0 4.49475 2.55605 2 -1 3 0 322.419 18.3093 3 -1 -3 0 330.231 18.8079 3 1 3 0 307.482 19.4490 1 -1 -3 0 307.445 18.2461 2 1 -3 0 287.767 19.5865 2 -1 3 0 327.042 16.8991 1 2 3 0 3250.25 151.308 1 2 -3 0 3084.24 149.245 2 -2 -3 0 3222.91 145.414 2 -2 3 0 3057.86 145.285 1 -2 -3 0 3181.81 148.227 3 -2 3 0 2935.20 146.962 3 -3 3 0 10.2756 3.34247 1 -3 -3 0 10.4498 1.84588 2 3 3 0 18.0346 6.39442 1 -3 3 0 12.8263 4.37756 3 -3 -3 0 9.87686 4.50138 3 3 -3 0 16.4428 5.19157 2 -4 3 0 3152.95 150.685 3 -4 3 0 3124.98 147.246 1 4 3 0 2944.52 152.876 1 -4 -3 0 3048.06 150.195 3 4 -3 0 3075.30 149.266 2 5 -3 0 295.031 21.9945 2 -5 3 0 284.867 24.0690 3 -5 3 0 276.577 21.1552 1 -5 -3 0 317.277 24.3989 3 5 3 0 270.356 24.5473 1 -6 3 0 41.6858 8.57358 1 6 3 0 45.7725 10.2476 1 -6 3 0 36.2280 10.2253 3 -6 -3 0 50.5931 10.4247 3 6 -3 0 47.0720 9.56475 1 6 -3 0 44.5054 8.42641 2 -7 3 0 67.1905 13.6268 3 7 -3 0 56.0821 10.6043 1 -7 -3 0 57.6482 12.2524 3 7 3 0 76.9101 13.8628 1 7 -3 0 49.3219 9.53224 2 8 -3 0 987.085 58.2945 2 -8 3 0 1001.31 66.0065 3 8 3 0 984.982 66.0327 1 -8 -3 0 1010.44 65.9528 3 8 -3 0 1032.58 61.9452 1 9 3 0 34.2379 12.6467 1 -9 -3 0 28.0990 12.9792 3 9 -3 0 32.7698 11.4237 1 -9 3 0 33.7342 12.2678 3 -10 3 0 596.328 50.0404 3 10 -3 0 608.088 47.2079 1 -10 -3 0 651.442 52.1379 3 10 3 0 642.376 51.9242 1 -11 3 0 13.5617 10.7993 3 -11 -3 0 -5.5805 8.53623 3 11 3 0 5.25007 9.24080 1 11 -3 0 14.0752 10.2704 1 12 3 0 1.77995 9.69515 1 -12 3 0 2.34312 8.13926 3 -12 -3 0 4.01594 10.3651 3 0 -4 0 27.5972 5.37830 2 0 4 0 52.0967 5.43014 1 0 4 0 32.7546 4.93919 3 0 -4 0 45.4063 5.65164 3 1 -4 0 1069.39 58.0572 2 1 4 0 1116.73 56.9607 1 -1 4 0 1110.71 55.5640 3 -1 -4 0 1154.33 56.3677 3 -1 4 0 1085.81 53.7210 1 -2 4 0 12.8689 2.77603 1 -2 4 0 10.7235 3.43471 3 -2 -4 0 17.8711 4.71339 3 2 -4 0 10.0639 4.36581 2 -2 -4 0 10.5501 3.28542 2 2 4 0 11.2865 4.64000 1 3 -4 0 4697.88 218.722 2 -3 4 0 4459.68 215.596 3 -3 4 0 4396.22 212.805 1 -3 -4 0 4699.20 211.839 2 3 4 0 4660.98 221.040 1 -3 -4 0 4510.82 216.787 3 4 4 0 33.5562 9.28020 1 -4 -4 0 34.1430 7.14216 3 -4 4 0 28.6935 5.27171 1 4 4 0 32.2005 2.72911 2 4 -4 0 25.4721 7.10425 2 -4 4 0 24.6963 6.86418 3 -4 -4 0 30.3209 2.69880 2 -5 4 0 743.159 46.5624 3 5 -4 0 752.195 42.8894 1 -5 4 0 785.223 43.4719 1 5 -4 0 762.749 45.8530 2 -5 -4 0 740.434 46.6782 3 5 4 0 764.358 50.1685 1 -6 4 0 85.7937 13.4805 3 -6 4 0 94.1391 11.9154 1 -6 -4 0 75.9560 12.6157 3 6 4 0 75.2551 13.7860 1 6 -4 0 92.2136 12.4089 2 -7 4 0 484.295 38.6364 3 7 -4 0 513.262 35.0865 2 7 4 0 478.368 39.6187 1 -7 -4 0 469.449 37.5522 3 -7 4 0 509.783 35.2817 1 -8 4 0 145.649 21.2523 3 -8 -4 0 151.628 21.2557 3 8 4 0 182.352 23.1741 1 8 -4 0 156.940 17.8591 2 9 -4 0 799.105 55.0878 1 9 4 0 876.187 62.2647 1 -9 -4 0 802.761 59.4312 3 -9 4 0 910.844 61.8334 3 10 -4 0 3.41185 6.13641 1 -10 4 0 5.60003 9.34916 3 -10 -4 0 16.9216 10.3658 3 10 4 0 8.39295 8.85139 1 -11 -4 0 112.951 23.2455 3 -11 4 0 124.345 23.2498 3 11 4 0 115.088 22.9336 1 0 5 0 0.83805 2.02025 3 0 5 0 0.41965 1.57428 1 0 -5 0 0.63114 1.88326 3 0 -5 0 -0.3669 2.04664 2 -1 5 0 774.916 41.6827 3 1 5 0 768.216 42.6843 1 -1 5 0 772.694 39.6335 1 -1 -5 0 786.331 42.4438 3 1 -5 0 807.024 45.0953 2 1 5 0 781.392 42.4926 3 -2 5 0 3614.09 165.969 1 -2 -5 0 3598.67 170.194 3 2 -5 0 3490.77 172.610 2 -2 -5 0 3551.46 168.678 2 -2 5 0 3492.20 168.902 3 2 5 0 3560.29 172.363 1 3 5 0 234.743 21.4274 1 -3 -5 0 256.880 16.7519 2 -3 -5 0 266.375 19.7769 3 3 -5 0 292.474 22.1711 2 -3 5 0 245.720 16.0989 1 -4 5 0 1743.80 89.0742 3 4 -5 0 1631.48 90.7424 2 -4 5 0 1731.03 85.3546 1 -4 -5 0 1735.55 90.3016 3 4 5 0 1787.95 94.9731 1 -4 -5 0 1731.72 82.2287 2 -5 -5 0 553.001 38.3511 3 5 -5 0 621.517 35.0947 1 5 5 0 602.803 42.9681 1 -5 5 0 579.012 34.7167 1 -5 5 0 579.499 38.5481 3 5 -5 0 564.702 38.6461 2 -6 5 0 52.8877 9.15985 1 6 -5 0 45.6071 11.1060 2 6 5 0 45.2462 13.1588 1 6 -5 0 47.3636 8.56512 1 -6 -5 0 24.8607 8.77620 3 -6 5 0 45.7181 11.6023 3 -7 5 0 271.162 22.8955 1 7 5 0 216.686 25.9406 1 -7 5 0 247.585 25.8905 3 -7 -5 0 214.569 23.7607 3 7 -5 0 241.454 21.1949 1 7 -5 0 242.238 23.3359 2 -8 5 0 766.039 55.9064 3 -8 -5 0 865.873 57.5318 3 8 -5 0 790.579 52.0263 2 8 5 0 778.564 58.3213 1 9 -5 0 23.6178 9.98864 2 -9 5 0 4.08728 7.56226 3 -9 -5 0 11.2025 9.27851 3 9 5 0 21.3970 11.7256 1 -10 5 0 275.365 32.4781 3 10 5 0 275.668 33.4034 1 -10 -5 0 251.135 31.2691 3 -11 5 0 188.137 27.3776 3 11 5 0 187.455 28.2558 1 -11 -5 0 169.127 27.1053 3 0 -6 0 1015.39 57.8462 2 0 6 0 1044.86 54.1021 1 0 6 0 1077.32 55.7310 3 0 -6 0 1065.30 55.8045 3 -1 6 0 72.2674 8.58313 3 -1 6 0 73.1191 7.23371 1 1 -6 0 65.3752 9.89484 2 1 6 0 84.3845 9.36475 3 -1 -6 0 73.4673 9.01946 3 1 6 0 83.3849 9.47644 1 -2 6 0 721.391 37.8560 1 -2 -6 0 702.956 41.7227 3 -2 6 0 762.636 41.4260 3 2 6 0 716.604 43.4739 1 -2 -6 0 722.650 41.3554 2 2 -6 0 751.404 45.1667 2 3 6 0 1163.99 65.2472 1 3 -6 0 1156.52 64.8307 2 -3 -6 0 1116.47 58.3817 2 -3 6 0 1085.38 59.9963 3 -3 -6 0 1086.27 61.3241 3 -3 6 0 1132.86 56.5397 1 -4 -6 0 196.004 13.8426 2 4 -6 0 184.932 19.3040 2 4 6 0 192.694 21.0972 1 -4 -6 0 193.111 18.4292 3 -4 6 0 203.881 14.8486 1 -4 6 0 218.983 18.2011 3 -5 6 0 27.3480 6.66561 1 5 6 0 28.6669 10.1621 1 5 -6 0 24.1588 8.54230 2 -5 6 0 33.3679 8.90939 3 -5 -6 0 31.7735 9.35853 3 6 -6 0 1475.49 82.9101 2 -6 -6 0 1410.93 82.5868 3 6 -6 0 1478.13 76.9383 1 6 6 0 1398.00 86.7590 1 -6 6 0 1519.13 83.4247 3 -7 6 0 139.963 19.3848 3 -7 -6 0 131.089 18.1386 3 7 6 0 121.665 20.2790 1 7 -6 0 126.129 17.6114 2 8 6 0 438.022 39.8226 1 -8 6 0 378.879 36.2337 3 -8 -6 0 375.277 35.6838 3 8 -6 0 436.993 34.9044 2 9 6 0 199.868 27.6311 1 -9 -6 0 221.851 27.8229 3 -9 6 0 202.929 26.8496 3 9 -6 0 230.662 25.3683 2 -10 -6 0 42.5213 15.8539 3 10 6 0 28.0256 13.5154 1 -10 6 0 23.4510 12.2847 3 -11 6 0 26.0444 14.2267 3 11 6 0 40.2106 16.3971 1 -11 -6 0 41.8751 16.3993 3 0 -7 0 -2.2259 2.65230 3 0 7 0 2.01956 2.96931 3 0 -7 0 -1.9399 2.76875 2 0 7 0 -1.5227 2.14118 1 -1 7 0 1718.85 82.6928 1 1 -7 0 1705.70 90.3166 2 -1 -7 0 1723.91 88.5666 2 -1 7 0 1756.83 86.1149 3 -1 -7 0 1553.95 85.7431 3 1 7 0 1661.25 86.2701 3 1 7 0 1667.31 85.8922 1 -2 -7 0 8.50439 4.79278 3 2 7 0 7.45422 4.66348 1 -2 -7 0 11.9482 5.15301 2 2 -7 0 12.4076 6.37625 2 -2 7 0 6.05413 4.23658 3 -2 7 0 9.30930 3.45309 1 3 7 0 15.5325 6.66541 1 -3 7 0 15.2491 4.19837 1 -3 7 0 6.29835 4.16504 3 -3 -7 0 10.4177 4.53946 2 -3 -7 0 16.3528 6.19033 3 3 -7 0 7.97533 5.51902 2 -4 -7 0 -0.8593 3.25779 3 -4 7 0 -0.2852 3.28644 3 4 -7 0 1.41328 4.16766 2 4 7 0 5.99173 5.52015 1 -5 7 0 906.463 54.2990 3 5 7 0 856.178 59.0847 1 5 -7 0 898.007 57.2019 2 -5 -7 0 917.244 55.5344 3 -6 -7 0 38.9142 11.2513 3 6 7 0 24.1619 10.9931 1 -6 7 0 28.2319 9.98138 3 6 -7 0 48.9939 12.8498 2 7 -7 0 1488.80 84.3409 2 -7 7 0 1392.17 83.3244 3 -7 -7 0 1346.79 83.3188 3 7 7 0 1404.41 88.4255 1 -8 7 0 73.0027 17.9973 3 8 7 0 60.2981 18.2208 1 8 -7 0 49.1084 14.5411 2 -8 -7 0 84.2743 17.5473 3 9 7 0 2.54533 7.78647 1 -9 -7 0 2.13541 8.16174 3 -9 7 0 1.49003 7.40163 3 9 -7 0 6.07133 7.20924 2 -10 7 0 -3.8366 8.71125 3 10 7 0 -3.4776 6.40583 1 -10 -7 0 3.63596 8.93322 3 0 8 0 1499.40 77.3172 1 0 -8 0 1552.94 84.0416 2 0 8 0 1515.80 79.6333 3 1 8 0 126.962 13.6990 3 -1 8 0 126.519 12.9362 3 -1 -8 0 109.952 12.7065 3 -1 8 0 111.554 10.5304 1 1 8 0 118.779 12.7175 1 1 -8 0 115.659 15.0758 2 -1 -8 0 125.143 14.8375 2 -2 -8 0 633.743 40.0776 3 -2 -8 0 607.991 39.9930 2 -2 8 0 666.415 39.7187 3 2 -8 0 670.698 44.7944 2 2 8 0 581.370 40.0780 1 2 8 0 686.272 41.1067 3 -3 8 0 283.203 22.6453 3 3 -8 0 273.002 26.2388 2 -3 -8 0 285.324 23.8121 3 -3 -8 0 309.096 22.9027 2 3 8 0 270.505 25.1350 1 4 -8 0 430.911 35.1073 2 -4 -8 0 452.118 32.9116 3 4 8 0 449.534 36.0738 1 -4 8 0 419.050 30.9707 3 5 8 0 2.46037 5.21158 1 -5 8 0 -0.5853 3.79989 3 5 -8 0 -1.5770 3.98666 2 -5 -8 0 1.10331 4.89127 3 -6 8 0 1135.76 69.8546 3 6 -8 0 1152.27 72.6917 2 6 8 0 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671.593 39.6299 3 4 5 -3 654.717 43.7358 1 -4 -5 -3 651.557 35.6864 2 4 -5 3 654.865 40.9835 2 -4 5 3 659.587 40.9396 3 4 5 3 683.817 43.7006 1 4 -5 -3 610.037 41.5606 2 -4 -5 3 562.081 39.5862 3 -4 5 -3 609.381 36.6809 3 -4 -5 3 615.598 33.1375 2 -4 5 -3 585.114 37.3820 1 5 5 -3 720.917 51.1691 1 5 -5 3 726.631 47.7269 2 -5 5 3 693.308 48.4381 3 -5 -5 -3 769.228 47.1913 3 -5 -5 -3 765.162 41.3059 2 5 -5 -3 834.514 50.6497 2 -5 5 -3 797.307 46.4466 1 -5 -5 3 799.617 50.4560 3 5 5 3 789.892 52.1067 1 -5 5 -3 871.575 47.4612 3 6 5 -3 103.431 16.9618 1 -6 5 3 101.857 16.2660 3 6 -5 3 83.9101 13.6871 2 -6 -5 -3 112.494 15.0416 3 6 -5 -3 179.228 18.7076 2 -6 5 -3 146.579 16.6276 3 6 5 3 147.976 19.5504 1 -6 5 -3 154.623 16.2132 1 -6 -5 3 157.907 19.7480 3 7 -5 3 1150.25 67.6579 2 7 5 -3 1108.95 73.1702 1 -7 5 3 1106.57 72.3343 3 -7 -5 -3 1172.16 68.7311 3 -7 -5 3 1147.50 73.6574 3 -7 5 -3 1154.88 68.3652 3 -7 5 -3 1107.92 66.6652 1 7 -5 -3 1160.85 69.0898 2 7 5 3 1209.18 75.5046 1 -8 5 3 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4.57045 7.92681 1 -8 -6 3 7.21979 9.40347 3 8 -6 -3 9.31333 8.02614 2 9 -6 3 442.168 35.9006 1 9 6 -3 385.125 38.6372 1 -9 -6 -3 313.014 32.9726 3 -9 6 3 419.309 40.7764 3 9 -6 3 414.109 35.1235 2 -9 6 -3 367.875 34.3534 1 9 6 3 396.453 40.6227 1 9 -6 -3 358.770 33.7291 2 -9 -6 3 370.555 39.2260 3 -10 -6 -3 20.8584 10.8336 3 -10 6 3 25.4287 14.5055 3 10 6 -3 30.2995 14.0907 1 -10 -6 3 15.8500 12.1704 3 10 6 3 10.2875 10.0932 1 11 6 -3 67.3796 20.9945 1 -11 -6 -3 57.0786 18.1087 3 -11 6 3 44.2287 18.0375 3 11 6 3 67.5076 21.4975 1 -11 -6 3 54.6813 19.0595 3 0 -7 3 9.28964 4.12039 3 0 -7 -3 14.5372 6.75398 2 0 -7 3 10.7856 5.31342 2 0 7 3 10.2593 5.07369 3 0 7 -3 17.0185 5.82923 1 0 7 3 10.2323 3.36742 1 -1 -7 -3 222.129 19.5416 3 -1 7 3 211.117 19.6032 3 1 -7 3 253.417 22.2575 2 1 7 -3 258.030 20.9964 1 -1 -7 -3 264.732 22.7991 2 -1 -7 3 249.542 18.6439 3 1 -7 -3 246.050 23.4822 2 -1 -7 3 229.323 20.0908 2 -1 7 -3 255.622 17.6716 3 1 7 3 218.199 19.4647 3 -1 7 -3 278.933 20.0413 1 1 7 3 247.585 18.4957 1 -2 7 3 2309.19 121.984 3 2 -7 3 2221.29 124.206 2 -2 -7 -3 2320.11 121.493 3 2 7 -3 2202.53 123.042 1 -2 -7 3 2512.95 121.007 2 -2 -7 3 2451.64 120.660 3 2 -7 -3 2356.10 127.178 2 -2 7 -3 2560.69 118.187 3 2 7 3 2513.33 122.570 3 2 7 3 2578.47 123.815 1 -2 7 -3 2557.60 120.453 1 -3 -7 -3 119.118 14.1959 2 -3 -7 -3 147.478 15.4472 3 3 7 -3 197.556 19.5942 1 3 -7 3 189.353 19.1854 2 -3 7 3 132.990 15.3869 3 -3 -7 3 169.937 16.1652 3 3 -7 -3 114.209 16.5513 2 -3 -7 3 159.720 14.1251 2 3 7 3 119.970 16.3840 1 3 7 3 125.063 15.0081 3 -3 7 -3 151.527 13.2570 3 -3 7 -3 165.854 14.7745 1 -4 -7 -3 1010.28 58.3564 3 -4 -7 -3 1066.60 55.4393 2 -4 7 3 1019.27 59.1905 3 4 -7 3 1014.77 61.1508 2 4 7 -3 879.799 60.8368 1 -4 -7 3 983.979 58.0168 3 4 7 3 957.025 61.9344 1 -4 7 -3 951.313 54.0412 3 -4 7 -3 985.321 55.4852 1 4 -7 -3 973.280 62.0675 2 5 -7 3 33.9485 10.7373 2 -5 7 3 21.2294 8.60800 3 -5 -7 -3 31.4897 9.60933 3 5 7 -3 24.4985 10.1084 1 5 -7 -3 15.5336 8.38046 2 -5 7 -3 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219.656 16.8817 2 -3 -2 -5 1189.26 64.7952 1 -3 2 5 1138.16 65.5121 3 -3 -2 -5 1183.84 63.5485 2 3 -2 5 1173.29 64.5917 2 3 2 -5 1196.94 65.7671 1 -3 2 -5 1217.27 56.6409 3 3 -2 -5 1196.26 60.5032 1 -3 2 -5 1241.17 64.7469 1 3 2 5 1234.42 64.0716 2 -3 -2 5 1278.96 64.3990 2 3 -2 -5 1194.33 66.8800 2 -3 -2 5 1193.41 68.4867 3 4 2 -5 346.375 27.1012 1 -4 -2 -5 348.140 26.8284 1 4 -2 5 334.858 25.2337 2 -4 2 5 382.457 28.7611 3 -4 2 -5 353.817 20.3922 3 -4 2 -5 332.352 25.5602 1 -4 -2 5 364.716 24.7080 2 -4 -2 5 356.792 29.8862 3 4 2 5 361.769 24.1310 2 4 -2 -5 411.080 28.3959 2 4 -2 -5 366.193 23.4087 1 4 2 5 344.642 26.6891 1 5 -2 5 316.695 24.5204 2 5 2 -5 289.166 21.9287 2 5 2 -5 277.071 25.8296 1 -5 -2 -5 323.361 27.0504 1 -5 2 5 306.748 28.3567 3 5 2 5 309.629 22.4410 2 -5 2 -5 348.838 21.3091 3 5 2 5 367.773 28.2111 1 5 -2 -5 347.943 26.2310 2 5 -2 -5 360.837 24.2968 1 -5 2 -5 343.782 26.0187 1 -5 -2 5 304.242 22.5062 2 -5 -2 5 324.607 30.2589 3 6 -2 5 1484.62 77.2711 2 -6 -2 -5 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1936.50 106.636 1 -5 -3 5 1960.17 112.690 3 -6 -3 -5 82.9275 11.8886 3 6 -3 5 86.6279 12.9001 2 6 3 -5 106.030 15.9358 1 -6 3 5 91.0891 15.9521 3 -6 -3 -5 90.6073 15.4197 1 6 -3 -5 119.850 15.0579 2 6 3 5 120.856 16.7425 1 -6 3 -5 130.820 15.6801 1 6 3 5 132.108 12.3419 2 -6 -3 5 132.514 19.2562 3 -7 -3 -5 964.696 56.0537 3 7 3 -5 1054.46 63.6414 1 7 -3 5 1003.57 57.2456 2 -7 3 5 999.985 65.4530 3 -7 3 -5 872.440 58.0029 1 7 3 5 867.285 61.2261 1 -7 -3 5 886.028 64.3155 3 7 -3 -5 849.126 55.8873 2 8 3 -5 113.311 18.4215 1 8 -3 5 109.352 17.5305 1 8 -3 5 130.470 16.5714 2 -8 3 5 143.344 22.4964 3 -8 -3 -5 151.936 17.8309 3 -8 -3 5 149.659 23.2089 3 8 3 5 114.941 19.2958 1 -8 3 -5 104.044 17.1799 1 9 -3 5 14.2732 9.39241 1 -9 -3 -5 12.4770 8.02300 3 9 3 -5 15.3757 9.55550 1 -9 3 5 14.5881 11.2483 3 9 3 5 9.66560 8.93725 1 -9 3 -5 20.4661 11.0482 1 -9 -3 5 6.47671 8.93973 3 10 -3 5 21.5668 11.3327 1 10 3 -5 15.9998 11.2992 1 -10 3 5 17.1057 13.1256 3 -10 -3 -5 18.6421 10.1472 3 -10 3 -5 15.5674 11.0405 1 -10 -3 5 24.8870 14.0939 3 10 3 5 28.8372 14.0138 1 11 -3 5 298.922 34.1574 1 11 3 -5 270.469 32.2552 1 -11 3 5 286.737 36.8985 3 -11 -3 -5 221.126 28.4539 3 -11 3 -5 318.041 35.5678 1 11 3 5 287.808 36.2551 1 -11 -3 5 384.336 41.7778 3 0 -4 5 4393.69 202.927 3 0 4 -5 4496.02 209.645 1 0 4 5 4346.84 207.867 3 0 -4 5 4296.97 209.923 2 0 -4 -5 4377.53 204.528 1 0 -4 -5 4349.16 213.168 2 -1 -4 -5 892.901 53.7598 2 1 4 -5 913.100 52.3998 1 1 -4 5 931.689 52.8246 2 -1 4 5 904.201 50.7701 3 -1 -4 -5 869.003 49.0953 1 -1 4 -5 935.246 51.4732 1 -1 4 -5 959.683 44.3104 3 -1 -4 5 974.268 47.9516 3 1 4 5 871.968 49.0638 1 -1 -4 5 969.897 51.8274 2 1 4 5 894.664 49.7536 3 1 -4 -5 990.703 56.3527 2 2 4 -5 1518.65 79.5459 1 -2 4 5 1521.21 77.5481 3 2 -4 5 1537.40 79.0315 2 -2 -4 -5 1578.51 75.6217 3 -2 -4 -5 1539.55 79.0159 2 2 -4 -5 1436.23 81.3271 2 -2 4 -5 1420.26 69.0790 3 2 4 5 1439.15 76.9462 1 -2 -4 5 1421.32 75.3478 3 -2 4 -5 1429.00 76.4894 1 2 4 5 1407.76 75.0694 3 -3 4 5 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0 -7 285.446 28.0395 1 -8 0 7 302.484 34.0997 3 8 0 7 274.058 29.7982 1 -9 0 -7 586.288 50.0960 1 9 0 -7 625.454 47.6041 1 -9 0 7 600.168 53.4757 3 9 0 7 686.983 53.2809 1 -10 0 7 55.9388 18.1520 3 -10 0 -7 41.2752 16.1959 1 10 0 7 39.4304 15.4715 1 11 0 7 19.5802 13.3502 1 -11 0 7 14.6640 12.2732 3 0 -1 -7 2.81047 4.35808 2 0 1 7 6.30741 3.13364 3 0 1 -7 4.74495 3.78745 1 0 -1 7 1.20721 3.44783 2 0 1 7 11.9945 6.00106 2 0 -1 -7 3.26904 2.69667 1 0 -1 7 3.28493 2.81195 3 -1 -1 -7 608.025 36.3193 2 -1 1 7 550.313 36.0667 2 1 1 -7 521.576 31.5268 1 1 -1 7 538.359 26.8250 3 -1 1 7 529.847 30.6230 3 -1 -1 -7 560.273 31.4943 1 1 -1 7 499.390 33.6935 2 1 -1 -7 410.673 33.3301 2 1 1 7 442.954 27.1889 3 -1 -1 7 422.660 30.6643 3 -1 1 -7 455.311 30.5055 1 1 1 7 402.752 32.2196 2 -1 -1 7 460.809 33.5912 2 2 -1 7 1928.85 95.6590 3 -2 1 7 2058.17 103.068 3 2 -1 7 1933.16 103.894 2 2 1 -7 1982.33 105.582 2 -2 -1 -7 1929.65 101.425 1 2 1 -7 2065.99 102.052 1 -2 1 -7 2003.91 102.363 1 2 1 7 2013.59 104.352 2 -2 -1 7 2114.27 106.166 2 2 -1 -7 2111.28 107.069 2 2 -1 -7 2037.53 102.886 1 2 1 7 1975.32 96.5120 3 -2 -1 7 2013.86 105.027 3 3 1 -7 314.125 22.2626 1 3 1 -7 322.388 24.6082 2 3 -1 7 308.231 22.9578 2 -3 -1 -7 302.128 22.0306 1 -3 1 7 288.189 23.3205 3 3 -1 -7 197.065 17.4835 1 3 1 7 207.695 19.8852 2 -3 -1 7 214.408 21.1855 2 3 1 7 239.086 16.0945 3 -3 1 -7 237.323 20.5509 1 3 -1 -7 200.027 21.1438 2 -3 -1 7 242.902 23.3990 3 4 1 -7 1645.44 87.5367 2 4 1 -7 1722.69 87.1363 1 4 -1 7 1718.96 87.0817 2 -4 1 7 1617.78 90.5282 3 -4 -1 -7 1635.49 87.1304 1 -4 -1 -7 1736.03 80.0093 3 4 -1 -7 1574.77 88.3838 2 -4 -1 7 1510.54 91.0435 3 -4 1 -7 1571.03 86.7103 1 4 -1 -7 1513.78 83.0166 1 4 1 7 1544.25 79.4927 3 4 1 7 1534.22 85.1666 2 5 1 -7 446.498 33.0881 1 -5 -1 -7 470.439 34.1730 1 5 -1 7 436.863 31.5726 2 -5 -1 -7 456.427 27.1228 3 5 1 -7 457.441 32.6224 2 -5 1 7 513.235 38.4401 3 -5 -1 7 391.894 36.1054 3 -5 1 -7 406.844 32.2982 1 5 1 7 406.953 30.3902 2 5 -1 -7 440.391 33.1876 2 5 -1 -7 478.576 31.7822 1 -5 -1 7 400.410 31.1700 2 6 1 -7 60.6748 12.2171 1 -6 -1 -7 58.3694 12.0263 1 6 -1 7 72.0826 11.9283 2 -6 1 7 72.9526 15.6120 3 -6 -1 -7 64.3198 8.97868 3 -6 -1 7 53.6317 10.5408 2 6 -1 -7 37.3680 10.5227 2 6 1 7 32.8992 9.07096 2 -6 -1 7 42.7901 13.8193 3 -6 1 -7 41.0414 11.4632 1 6 1 7 49.3283 13.6589 1 -7 1 7 38.2786 13.4352 3 -7 -1 -7 50.0835 13.7322 1 7 -1 7 42.3403 10.6580 2 7 1 -7 23.5085 10.1745 1 -7 1 -7 35.7450 11.4864 1 -7 -1 7 34.8468 13.4453 3 7 1 7 46.6084 9.60943 2 7 1 7 31.8683 11.4309 1 8 -1 7 581.586 45.7632 1 -8 -1 -7 510.012 44.3758 1 8 -1 7 564.329 39.1414 2 8 1 -7 508.509 42.3844 1 -8 1 7 571.673 48.9742 3 8 1 7 566.439 46.6146 1 -8 1 -7 622.471 46.5869 1 -8 -1 7 548.089 48.1577 3 9 1 -7 70.1322 16.0719 1 9 -1 7 95.4385 19.0791 1 -9 -1 -7 91.5035 19.3482 1 -9 1 7 102.563 21.5651 3 -9 -1 7 67.2826 20.1953 3 9 1 7 70.7609 18.9886 1 -9 1 -7 98.7999 20.3065 1 -10 -1 -7 285.951 35.0348 1 -10 1 7 276.101 36.4204 3 10 1 -7 251.632 30.7664 1 10 -1 7 314.473 35.8212 1 -10 -1 7 390.098 40.3953 3 -10 1 -7 326.300 35.9509 1 10 1 7 337.211 36.8053 1 11 1 -7 64.1989 18.3334 1 -11 1 7 94.9297 24.3702 3 11 -1 7 84.6484 22.7331 1 -11 -1 7 49.1084 19.1990 3 -11 1 -7 45.1748 17.7797 1 11 1 7 80.4444 22.8268 1 0 2 7 1674.38 82.3588 3 0 2 -7 1606.67 84.8175 1 0 -2 7 1693.00 88.2579 2 0 -2 -7 1734.53 89.8505 2 0 -2 7 1540.55 80.5219 3 0 2 7 1615.75 88.9304 2 0 -2 -7 1636.66 82.1923 1 -1 2 7 703.615 42.4383 3 1 2 -7 699.617 43.7519 1 1 -2 7 646.535 45.0499 2 -1 -2 -7 675.801 46.1080 2 -1 -2 7 742.124 43.8532 3 1 2 7 795.108 41.1970 3 1 2 7 780.373 47.5822 2 -1 2 -7 788.003 44.6193 1 1 -2 -7 806.312 41.2112 1 -1 -2 7 843.323 47.7978 2 1 -2 -7 801.899 48.9662 2 -2 -2 -7 341.947 22.7410 1 -2 -2 -7 361.608 25.7781 2 2 2 -7 295.157 22.7412 1 -2 2 7 325.087 22.9802 3 2 -2 7 374.722 26.1128 2 2 -2 -7 276.212 25.0889 2 -2 -2 7 245.995 22.8973 3 2 2 7 269.323 18.7585 3 2 2 7 293.032 23.9953 2 2 -2 -7 263.441 18.8026 1 -2 -2 7 238.631 22.7647 2 -2 2 -7 260.633 21.7927 1 3 2 -7 1417.07 72.9599 1 -3 2 7 1353.82 73.2506 3 -3 -2 -7 1352.79 66.1704 3 -3 -2 -7 1363.51 71.5190 1 3 -2 7 1313.50 72.5029 2 3 -2 -7 1174.72 73.6637 2 -3 2 -7 1247.16 70.9904 1 -3 -2 7 1272.76 75.1721 3 3 2 7 1276.11 66.0104 3 3 -2 -7 1271.99 66.5022 1 3 2 7 1267.75 71.5042 2 4 2 -7 364.276 28.6696 1 4 -2 7 388.550 28.5437 2 -4 2 7 388.413 30.5172 3 -4 -2 -7 373.089 23.6459 3 -4 -2 -7 385.102 28.9263 1 4 2 7 353.155 23.5653 3 -4 -2 7 363.993 31.9874 3 -4 -2 7 360.904 28.2403 2 4 -2 -7 386.650 30.6336 2 4 -2 -7 340.349 23.9723 1 -4 2 -7 370.717 28.6306 1 4 2 7 347.387 26.7379 2 -5 -2 -7 71.6791 9.55765 3 5 -2 7 62.5888 11.3301 2 5 2 -7 70.9730 12.5595 1 -5 2 7 64.0870 13.9725 3 -5 -2 -7 77.0902 12.8965 1 -5 2 -7 116.345 14.8127 1 5 2 7 106.361 12.7996 2 5 -2 -7 103.043 11.6949 1 -5 -2 7 96.5755 16.4702 3 5 -2 -7 126.781 15.9421 2 5 2 7 101.753 14.6120 1 -5 -2 7 101.471 13.4032 2 6 2 -7 794.549 54.6638 1 -6 -2 -7 861.364 56.3613 1 6 -2 7 934.245 53.6585 2 -6 -2 -7 868.762 48.5624 3 -6 2 7 883.900 59.7827 3 -6 2 -7 779.020 53.7052 1 -6 -2 7 856.905 60.5664 3 6 -2 -7 852.186 50.5180 1 6 2 7 847.864 50.5184 2 6 -2 -7 848.715 54.0212 2 6 2 7 765.266 54.7917 1 -7 -2 -7 229.450 26.1457 1 7 -2 7 257.860 23.5677 2 -7 -2 -7 224.944 20.4640 3 7 2 -7 234.103 25.4811 1 -7 2 7 214.929 28.0368 3 7 2 7 305.980 30.1939 1 7 -2 -7 264.779 24.5441 2 -7 2 -7 234.798 25.3520 1 -7 -2 7 224.066 28.6967 3 8 -2 7 158.853 22.7322 1 8 2 -7 171.609 23.4020 1 -8 -2 -7 174.580 24.7988 1 -8 2 7 153.641 25.5729 3 8 -2 7 173.665 19.8435 2 8 2 7 171.230 23.6138 1 -8 -2 7 158.476 24.8031 3 -8 2 -7 197.964 23.6984 1 9 -2 7 178.442 25.2269 1 9 2 -7 208.931 25.8447 1 -9 2 7 214.847 29.4313 3 -9 -2 -7 207.712 27.9191 1 -9 -2 7 125.778 24.3848 3 9 2 7 151.880 24.3920 1 -9 2 -7 145.635 22.9883 1 10 -2 7 108.451 21.8046 1 -10 2 7 134.223 25.9848 3 10 2 -7 114.525 20.3494 1 10 2 7 118.497 23.1781 1 -10 2 -7 122.494 24.2267 1 -10 -2 7 138.088 26.5561 3 11 -2 7 47.5122 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338.184 26.4110 3 2 -2 10 281.591 26.8792 2 -2 -2 -10 293.248 24.2279 1 -2 2 10 296.394 28.7667 2 2 2 -10 339.034 26.3608 1 2 -2 -10 236.420 26.9957 2 2 -2 -10 234.506 20.4609 1 -2 2 -10 223.452 22.9038 1 -2 -2 10 252.064 26.6229 2 2 2 10 260.547 26.5109 2 3 2 -10 607.779 43.2860 1 -3 2 10 641.882 48.2739 2 -3 -2 -10 620.313 43.2342 1 3 -2 10 639.498 46.1404 2 -3 2 10 691.668 46.2355 3 3 -2 -10 707.325 49.7508 2 3 2 10 734.936 47.6228 2 -3 -2 10 676.697 48.4403 2 -3 2 -10 594.094 43.5742 1 -4 -2 -10 97.5283 15.0790 1 4 -2 10 114.392 16.8149 2 -4 2 10 131.064 19.2049 2 4 2 -10 119.610 16.1263 1 -4 2 10 111.829 17.5166 3 4 -2 -10 108.264 17.4654 2 -4 2 -10 107.714 16.2578 1 -4 -2 10 127.280 19.0564 3 -4 -2 10 125.830 18.6982 2 4 2 10 99.9217 15.9786 2 -5 2 10 123.873 19.6964 3 -5 -2 -10 100.302 16.6253 1 5 2 -10 110.250 16.9855 1 5 -2 10 120.956 17.2756 2 5 -2 -10 121.308 19.0065 2 5 2 10 130.998 17.6254 2 -5 -2 10 154.344 22.0917 3 -5 2 -10 129.866 18.4742 1 6 -2 10 291.693 28.8729 2 -6 2 10 240.905 30.4840 3 -6 -2 -10 316.663 31.1596 1 6 2 -10 290.390 29.7456 1 6 -2 -10 331.028 31.1534 2 -6 2 -10 355.348 32.7245 1 6 2 10 318.649 28.6079 2 6 2 10 366.307 33.3439 1 -6 -2 10 361.528 35.1765 3 7 2 -10 138.984 20.3117 1 -7 -2 -10 103.339 19.8250 1 7 -2 10 133.361 19.7164 2 -7 2 10 148.524 24.1016 3 -7 -2 10 167.670 25.5401 3 7 2 10 148.565 18.9185 2 7 2 10 130.990 21.8695 1 -7 2 -10 121.359 20.3744 1 8 2 -10 220.965 27.0778 1 8 -2 10 195.863 24.3322 2 -8 2 10 197.309 29.1650 3 -8 -2 -10 206.485 27.9095 1 8 2 10 189.961 27.4224 1 -8 -2 10 205.802 29.2334 3 -8 2 -10 203.572 27.2094 1 -9 2 10 159.456 27.6074 3 -9 -2 -10 174.629 27.1834 1 9 -2 10 141.491 25.5108 1 9 2 -10 106.485 20.5403 1 -9 -2 10 131.755 25.8351 3 9 2 10 162.961 26.4051 1 -9 2 -10 139.802 25.3288 1 0 -3 -10 119.893 14.2677 1 0 -3 -10 181.349 21.8945 2 0 -3 10 177.738 21.4438 2 0 3 -10 184.968 19.1318 1 0 3 10 160.714 16.1913 3 0 3 10 180.317 21.7560 2 1 -3 10 69.0186 14.0295 2 1 3 -10 68.5099 12.5917 1 -1 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13.1616 2 -5 3 10 32.2321 11.9149 3 -5 -3 10 34.9470 13.0953 3 5 -3 -10 16.9575 9.50869 2 -5 3 -10 31.7193 11.8205 1 5 3 10 59.7841 12.6824 1 5 3 10 30.5948 10.6229 2 6 -3 10 1.53941 5.81816 2 6 3 -10 14.8531 9.51716 1 -6 3 10 4.87462 9.27411 3 -6 -3 -10 6.11645 7.23828 1 6 3 10 10.4061 8.81397 1 6 3 10 4.66490 5.92182 2 -6 -3 10 7.43511 8.74075 3 6 -3 -10 3.03487 7.25234 2 -6 3 -10 8.08618 7.56117 1 7 3 -10 106.469 18.9512 1 -7 3 10 97.2411 20.4916 3 -7 -3 -10 94.7358 22.1110 1 7 -3 10 75.6724 15.4312 2 7 3 10 88.9449 18.0942 1 7 -3 -10 79.9611 16.7214 2 -7 -3 10 77.7182 20.9116 3 -7 3 -10 94.7996 18.0573 1 8 -3 10 296.470 29.8424 2 -8 -3 -10 308.791 35.2350 1 8 3 -10 300.456 32.7456 1 -8 3 10 285.987 36.4519 3 -8 3 -10 261.956 31.4825 1 -8 -3 10 253.032 33.7751 3 8 3 10 301.324 34.2970 1 9 -3 10 37.1758 12.9942 2 -9 -3 -10 46.3000 18.5046 1 -9 3 10 30.4140 16.1875 3 9 3 -10 56.6238 17.3672 1 -9 3 -10 56.1377 18.8503 1 -9 -3 10 49.7129 18.6331 3 9 3 10 68.0187 20.5319 1 0 4 10 49.0023 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360.847 29.7231 2 -4 4 -10 301.665 27.6146 1 4 4 10 282.639 27.0381 1 5 -4 10 203.645 24.3657 2 -5 -4 -10 183.907 23.2744 1 -5 4 10 160.972 23.1190 3 5 4 -10 154.034 22.4464 1 5 -4 -10 183.563 24.5423 2 -5 4 -10 262.210 26.0708 1 5 4 10 225.109 23.3506 2 5 4 10 230.048 24.8253 1 6 4 -10 18.2009 10.3475 1 6 -4 10 17.8828 9.88374 2 -6 -4 -10 23.6659 11.3335 1 -6 4 10 22.8128 11.6759 3 -6 4 -10 15.1704 9.63713 1 6 -4 -10 18.7900 10.7237 2 6 4 10 34.2439 10.9012 2 6 4 10 10.3506 8.45074 1 -6 -4 10 16.1618 10.2526 3 7 4 -10 113.226 20.8646 1 7 -4 10 97.3541 17.9094 2 -7 -4 -10 84.1782 19.5977 1 -7 4 10 107.381 22.1161 3 -7 4 -10 170.306 23.2036 1 7 -4 -10 167.340 23.2003 2 -7 -4 10 156.353 25.5983 3 7 4 10 178.168 24.4351 1 8 4 -10 101.450 19.7988 1 -8 -4 -10 66.4869 19.2490 1 8 -4 10 101.277 18.5313 2 -8 4 10 58.8069 20.2093 3 -8 -4 10 102.611 22.6889 3 8 4 10 107.898 22.1451 1 -8 4 -10 93.5544 19.7622 1 -9 4 10 295.645 37.9238 3 9 4 -10 269.779 33.3808 1 9 -4 10 283.273 30.8589 2 -9 4 -10 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105.831 17.8214 1 5 -6 -10 108.039 19.8867 2 5 6 10 105.886 17.6713 2 6 -6 10 307.475 32.8674 2 6 6 -10 276.575 32.7632 1 -6 6 10 334.253 36.2265 3 6 6 10 365.950 35.7192 1 -6 6 -10 312.732 31.8692 1 6 -6 -10 329.594 34.5335 2 7 -6 10 84.4551 18.0707 2 -7 6 10 103.031 22.3857 3 7 6 -10 131.823 23.7170 1 7 -6 -10 72.5455 19.0677 2 7 6 10 69.6531 20.0570 1 -7 6 -10 105.876 19.7375 1 8 6 -10 34.5522 14.6181 1 -8 6 10 5.96498 11.1546 3 8 -6 10 13.8632 11.8071 2 8 6 10 30.6307 14.8000 1 8 -6 -10 27.2079 12.7882 2 -8 6 -10 20.4919 12.8138 1 0 7 -10 247.829 25.7445 1 0 7 10 210.556 22.2566 3 0 -7 -10 205.318 27.5906 2 0 -7 10 250.892 28.1530 2 1 7 -10 431.806 37.5633 1 1 -7 10 429.699 39.5905 2 -1 -7 -10 468.569 41.5539 2 -1 7 10 468.405 36.4928 3 1 7 10 486.894 35.6272 3 1 -7 -10 537.333 44.9124 2 -1 7 -10 480.422 38.2360 1 -1 -7 10 445.424 39.5237 2 -2 -7 -10 45.1519 14.0785 2 2 7 -10 31.9607 11.3675 1 -2 7 10 49.8442 13.8307 3 2 -7 10 62.0089 16.4755 2 -2 7 -10 52.5040 13.6571 1 -2 -7 10 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300.072 32.8756 3 3 10 -10 288.174 32.7427 1 3 -10 10 263.008 33.6472 2 -3 -10 -10 251.481 30.2847 2 3 10 10 327.477 31.5808 3 3 -10 -10 373.843 40.1949 2 -3 10 -10 280.611 30.1972 1 -4 10 10 165.152 24.8280 3 4 -10 10 143.604 25.3413 2 4 10 -10 181.632 26.3124 1 4 10 10 156.858 21.9094 3 4 -10 -10 172.460 28.2412 2 -4 10 -10 138.967 21.7620 1 0 11 -10 22.9516 12.0944 1 0 -11 10 6.75464 10.0543 2 0 -11 -10 25.1654 14.4592 2 0 11 10 12.1087 9.43390 3 -1 -11 -10 28.2847 14.9582 2 1 -11 10 55.8380 18.1379 2 1 11 -10 44.7170 15.4395 1 -1 11 10 43.6037 15.1618 3 1 11 10 39.4171 14.9331 3 1 -11 -10 41.2514 18.1641 2 -1 11 -10 61.8732 17.1388 1 2 11 -10 145.115 23.0667 1 2 -11 10 127.551 23.7774 2 -2 11 10 208.845 26.0165 3 -2 -11 -10 88.5179 22.2032 2 2 11 10 118.014 21.0303 3 -2 11 -10 109.652 19.3984 1 2 -11 -10 139.282 26.8728 2 -3 -11 -10 68.5533 19.5159 2 3 11 -10 95.9903 21.2735 1 -3 11 10 94.1089 20.2251 3 3 -11 10 122.924 23.3402 2 3 11 10 56.7928 17.0604 3 -3 11 -10 58.7301 17.0024 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41.3606 13.5090 2 0 -1 -11 27.8510 8.62813 1 0 -1 11 27.9190 11.0460 2 0 1 -11 21.4601 7.77534 1 0 1 11 45.1858 13.5393 2 1 1 -11 83.5718 13.3095 1 -1 -1 -11 92.8225 13.6538 1 -1 1 11 100.126 17.2993 2 1 -1 11 93.3305 16.1468 2 1 -1 -11 73.1690 13.8075 1 -1 1 -11 59.6755 11.6565 1 -1 -1 11 63.6952 16.4727 2 1 1 11 59.3092 15.1959 2 1 -1 -11 69.2802 17.2546 2 -2 -1 -11 937.336 55.9994 1 -2 1 11 836.757 59.9609 2 2 1 -11 865.610 54.4275 1 2 -1 11 832.119 58.7007 2 -2 1 -11 891.860 56.0908 1 2 -1 -11 924.609 62.3397 2 -2 -1 11 870.047 60.2868 2 2 1 11 908.100 59.9970 2 -3 1 11 277.179 27.5305 3 3 -1 11 251.468 27.2626 2 -3 1 11 234.117 27.6262 2 3 1 -11 268.944 25.0465 1 -3 -1 -11 269.912 25.8937 1 -3 1 -11 336.149 28.2898 1 -3 -1 11 353.005 31.8857 2 3 1 11 273.301 27.9814 2 3 -1 -11 335.851 31.6586 2 4 -1 11 515.207 40.2700 2 -4 1 11 533.755 42.2110 3 -4 1 11 498.407 41.4722 2 4 1 -11 471.764 36.5791 1 -4 -1 -11 532.870 39.7246 1 -4 1 -11 467.855 37.9849 1 -4 -1 11 479.303 40.6489 2 4 1 11 506.839 39.9842 2 4 -1 -11 452.862 40.6911 2 -5 1 11 109.102 18.1783 2 -5 1 11 113.358 20.0135 3 5 1 -11 108.930 16.3961 1 -5 -1 -11 145.207 19.9984 1 5 -1 11 112.272 17.6745 2 5 -1 -11 107.172 17.9786 2 -5 -1 11 93.2108 17.3245 2 -5 1 -11 106.229 17.4219 1 5 1 11 125.966 18.1096 2 -5 -1 11 106.643 19.4759 3 6 1 -11 18.5299 9.15514 1 -6 -1 -11 13.7481 9.72780 1 -6 1 11 25.8469 10.9601 2 6 -1 11 30.8306 11.9008 2 -6 1 11 19.4731 12.0633 3 6 1 11 11.2516 8.67207 2 -6 1 -11 7.79734 8.74508 1 6 -1 -11 22.5843 10.4115 2 -6 -1 11 24.3970 12.4919 3 -7 -1 -11 145.006 22.6943 1 -7 1 11 163.701 25.7706 3 7 -1 11 156.705 21.4002 2 7 1 -11 137.988 19.9395 1 7 1 11 130.782 19.5757 2 -7 1 -11 121.247 21.3600 1 7 1 11 138.446 22.5459 1 -7 -1 11 151.011 24.3576 3 -8 1 11 241.368 32.8555 3 -8 -1 -11 240.180 31.4577 1 8 -1 11 240.717 27.1110 2 -8 -1 11 219.151 30.8027 3 -8 1 -11 211.830 28.9807 1 8 1 11 221.054 30.0192 1 0 -2 -11 617.553 47.5034 2 0 2 11 670.030 47.8248 2 0 -2 11 551.075 45.2347 2 0 2 -11 563.242 40.9075 1 -1 2 11 628.230 47.5689 2 1 -2 11 661.138 47.9195 2 -1 -2 -11 596.697 40.6460 1 -1 -2 -11 672.900 48.7922 2 1 2 -11 611.830 42.3529 1 -1 -2 11 585.683 46.5174 2 -1 2 -11 544.959 41.1279 1 1 -2 -11 675.865 49.3139 2 1 2 11 616.708 47.0813 2 2 2 -11 351.194 29.3343 1 -2 2 11 370.695 33.7941 2 -2 -2 -11 383.961 29.4263 1 2 -2 11 347.349 32.3226 2 -2 2 11 352.955 29.6120 3 2 2 11 305.047 30.6852 2 -2 -2 11 317.027 32.1327 2 -2 2 -11 309.753 28.2779 1 2 -2 -11 288.818 31.5717 2 -3 2 11 330.595 32.0442 2 -3 -2 -11 342.558 28.3433 1 3 -2 11 348.178 31.1939 2 3 2 -11 349.700 28.7691 1 -3 2 11 345.078 29.8857 3 -3 -2 11 272.677 29.3970 2 3 -2 -11 263.918 29.7460 2 -3 2 -11 224.835 25.2165 1 3 2 11 248.858 27.9595 2 4 -2 11 148.579 20.9312 2 4 2 -11 152.665 19.5466 1 -4 -2 -11 148.460 19.3042 1 -4 2 11 173.511 22.5924 3 -4 2 11 176.411 23.1442 2 4 -2 -11 147.609 21.8886 2 -4 -2 11 145.784 21.2910 2 4 2 11 151.441 20.8402 2 -4 2 -11 181.975 22.0658 1 -5 2 11 43.9648 14.6826 2 -5 -2 -11 69.1681 14.4184 1 5 -2 11 68.1629 14.4786 2 -5 2 11 55.2397 16.5528 3 5 2 -11 68.4663 14.1269 1 5 -2 -11 98.5348 17.4763 2 5 2 11 72.8698 14.5467 2 -5 2 -11 99.6918 17.6703 1 -5 -2 11 77.7516 16.5318 2 6 -2 11 321.095 30.8503 2 -6 2 11 338.461 35.9486 3 -6 -2 -11 346.737 33.0913 1 -6 2 11 310.753 32.6492 2 6 2 -11 302.777 30.4249 1 6 2 11 332.207 30.2601 2 -6 -2 11 290.667 32.7894 3 -6 2 -11 256.914 29.8443 1 6 -2 -11 361.257 33.7366 2 -7 -2 -11 132.101 21.9580 1 -7 2 11 150.112 26.2606 3 7 2 -11 153.704 22.5449 1 7 -2 11 128.809 20.6211 2 -7 2 -11 133.246 22.1326 1 -7 -2 11 198.403 27.5990 3 7 2 11 162.269 21.0716 2 7 2 11 132.659 23.0155 1 -8 -2 -11 78.4960 20.6096 1 8 -2 11 47.5086 14.2935 2 8 2 -11 83.4691 18.2782 1 -8 2 11 107.905 26.6856 3 8 2 11 106.711 20.7374 1 -8 -2 11 97.7176 20.7457 3 -8 2 -11 58.3340 17.8742 1 0 -3 -11 183.903 24.0896 2 0 -3 -11 168.842 17.8969 1 0 3 11 173.136 22.8163 2 0 3 -11 180.448 20.1464 1 0 -3 11 177.466 23.0018 2 -1 3 11 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1 -7 5 -11 150.982 23.9452 1 7 5 11 175.514 25.6672 1 7 -5 -11 190.136 26.4277 2 0 -6 -11 210.628 27.5093 2 0 6 11 229.208 22.8582 3 0 6 -11 260.468 27.2819 1 0 -6 11 261.697 29.7099 2 -1 -6 -11 113.409 19.5491 2 1 6 -11 105.469 17.4323 1 1 -6 11 96.0236 18.2591 2 -1 6 11 111.547 16.1160 3 -1 6 -11 81.9867 16.4711 1 1 6 11 92.9950 14.6838 3 1 -6 -11 139.144 22.3756 2 -1 -6 11 98.9939 18.5080 2 1 6 11 99.9317 18.6119 2 -2 6 11 159.534 20.7897 3 2 6 -11 157.112 21.4984 1 -2 -6 -11 167.403 23.1145 2 2 -6 11 145.942 22.2485 2 2 -6 -11 154.463 24.1411 2 -2 6 -11 182.985 21.8270 1 2 6 11 168.890 22.9322 2 -2 -6 11 153.756 22.2546 2 2 6 11 160.410 18.5407 3 -3 6 11 356.762 32.2135 3 3 6 -11 320.629 32.0358 1 3 -6 11 307.919 32.5326 2 -3 -6 -11 337.097 32.5669 2 -3 -6 11 297.610 31.5673 2 -3 6 -11 309.261 30.6026 1 3 6 11 341.751 33.1228 2 3 -6 -11 339.298 35.8448 2 4 -6 11 87.9419 17.8128 2 -4 -6 -11 87.3623 17.3871 2 -4 6 11 69.7095 17.7146 3 4 6 -11 86.3637 17.2116 1 4 -6 -11 74.9414 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25.0726 9.85463 1 3 0 -12 21.1111 10.9549 2 -3 0 12 18.7445 10.6336 2 4 0 -12 80.9766 14.7304 1 4 0 -12 60.7441 16.7262 2 -4 0 -12 76.2119 14.6418 1 4 0 12 46.1051 14.4212 2 -4 0 12 87.3743 17.3128 2 -5 0 12 68.0739 17.7914 2 5 0 12 71.2887 17.1341 2 5 0 -12 75.2316 18.2380 2 -6 0 12 418.131 40.1809 3 -6 0 -12 354.268 35.6456 1 6 0 12 324.136 33.0795 2 7 0 12 191.924 24.3285 2 -7 0 -12 169.099 25.1995 1 -7 0 12 175.118 27.3613 3 8 0 12 53.8262 16.0792 2 -8 0 -12 72.6527 19.5929 1 -8 0 12 53.7602 18.5773 3 8 0 12 55.5379 18.8036 1 0 1 12 212.345 26.6073 2 0 -1 12 246.960 28.6331 2 0 -1 -12 221.812 22.1836 1 0 1 -12 259.776 24.0622 1 -1 1 12 453.496 40.6421 2 -1 -1 -12 473.169 35.0479 1 1 -1 12 492.373 41.2915 2 1 1 -12 446.960 34.6816 1 -1 1 -12 502.388 36.4145 1 1 -1 -12 451.375 38.1390 1 1 -1 -12 383.447 38.9852 2 1 1 12 445.223 39.4094 2 -1 -1 12 447.803 40.6762 2 -2 1 12 279.652 30.4663 2 2 1 -12 251.740 24.6828 1 -2 -1 -12 275.585 25.6420 1 2 -1 12 317.815 30.9430 2 -2 -1 12 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2 -14 55.2120 16.9389 1 5 -2 -14 57.2982 17.4082 2 5 2 14 57.2775 16.7482 2 0 3 -14 6.15591 7.22544 1 0 -3 -14 4.10613 8.49768 2 0 3 14 7.00704 9.77875 2 0 -3 14 8.64363 9.72339 2 -1 3 14 63.1179 18.7432 2 1 -3 14 49.7378 16.7922 2 1 3 -14 69.6027 17.0601 1 1 -3 -14 51.0289 17.9211 2 -1 3 -14 44.3127 14.7420 1 1 3 14 62.2379 19.3604 2 -1 -3 14 34.8779 15.7106 2 2 3 -14 242.511 27.6465 1 2 -3 14 206.792 29.4783 2 -2 3 14 245.311 31.4045 2 -2 3 -14 270.842 29.0717 1 2 -3 -14 335.295 37.1338 2 -2 -3 14 237.675 31.5056 2 2 3 14 267.510 32.1627 2 -3 3 14 233.404 30.1669 2 3 -3 14 202.538 28.0786 2 3 3 -14 208.987 25.1900 1 3 -3 -14 203.979 28.9292 2 -3 -3 14 174.051 26.9603 2 -3 3 -14 231.342 27.1481 1 3 3 14 187.105 26.7491 2 4 -3 14 56.8696 17.3205 2 -4 3 14 73.8544 20.5001 2 4 3 -14 49.1940 14.9273 1 -4 -3 -14 111.639 19.7862 1 4 -3 -14 73.9803 20.8836 2 4 3 14 44.1421 16.9993 2 -4 -3 14 45.2496 16.1972 2 -4 3 -14 46.1160 15.1926 1 5 3 -14 46.3981 14.3351 1 -5 3 14 39.5275 15.5540 2 5 -3 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15 250.741 32.0368 2 -2 0 -15 187.469 25.2489 1 3 0 15 222.718 30.7604 2 -3 0 15 235.121 31.6528 2 -3 0 -15 253.148 29.5151 1 4 0 15 87.9764 22.4735 2 -4 0 -15 94.2073 18.7706 1 -4 0 15 99.3181 21.3702 2 0 -1 15 42.5751 17.2016 2 0 1 -15 45.4467 14.2193 1 0 1 15 61.4206 18.8223 2 1 -1 15 70.5079 20.3884 2 -1 -1 -15 32.0108 16.2710 1 -1 1 15 65.1654 19.6885 2 1 1 -15 69.8840 15.1769 1 -1 -1 15 57.7255 19.2784 2 -1 1 -15 67.2465 17.8539 1 1 1 15 57.7628 18.8831 2 2 -1 15 212.670 29.9986 2 2 1 -15 208.475 24.8148 1 -2 -1 -15 224.818 26.4549 1 -2 -1 15 225.717 31.1294 2 2 1 15 205.445 29.3563 2 -2 1 -15 218.441 26.8264 1 -3 -1 -15 201.743 25.4941 1 3 -1 15 213.046 29.7734 2 -3 1 15 250.321 32.7625 2 3 1 15 185.659 28.1839 2 -3 1 -15 229.217 28.1180 1 -3 -1 15 158.146 27.6585 2 -4 -1 -15 74.2267 17.2481 1 -4 1 15 88.1329 22.5848 2 4 -1 15 108.757 22.1910 2 4 1 15 124.900 24.2516 2 -4 1 -15 103.304 20.7630 1 -4 -1 15 104.810 24.9562 2 0 -2 15 69.5855 20.6588 2 0 2 15 49.2855 17.2587 2 0 2 -15 57.2129 16.4388 1 -1 2 15 74.3305 21.5010 2 1 -2 15 91.7043 22.9379 2 1 2 -15 91.3892 17.6619 1 1 2 15 109.017 22.2254 2 -1 2 -15 83.4522 17.9405 1 -1 -2 15 96.3559 23.6930 2 2 -2 15 191.886 28.2184 2 2 2 -15 131.844 20.2725 1 -2 2 15 172.107 27.2916 2 -2 2 -15 136.522 22.0227 1 2 2 15 114.434 22.5752 2 -2 -2 15 143.174 26.3202 2 -3 2 15 105.378 22.1910 2 3 2 -15 83.4816 16.6478 1 -3 -2 -15 82.7685 21.0301 1 3 -2 15 73.0658 20.5195 2 3 -2 -15 79.0116 22.5358 2 -3 2 -15 80.2774 19.9838 1 3 2 15 52.2686 17.5346 2 -3 -2 15 83.1505 22.1302 2 0 -3 15 123.555 24.2168 2 0 3 15 105.254 22.0213 2 0 3 -15 106.112 19.3533 1 -1 3 15 143.536 26.3139 2 1 3 -15 133.754 20.8214 1 1 -3 15 142.439 25.7969 2 1 -3 -15 194.399 30.0760 2 -1 -3 15 130.925 25.1208 2 -1 3 -15 171.371 24.1448 1 1 3 15 153.159 25.4121 2 -2 3 15 53.9350 19.2265 2 2 3 -15 45.0365 14.9015 1 2 -3 15 59.3704 19.1375 2 2 -3 -15 48.6856 17.8998 2 -2 3 -15 63.4733 17.3583 1 2 3 15 80.0997 22.4142 2 -2 -3 15 39.3568 16.6560 2 -3 3 15 15.3457 11.9874 2 3 -3 15 15.1285 11.7221 2 3 3 -15 7.17963 9.20270 1 3 -3 -15 38.0611 16.3226 2 -3 3 -15 13.6872 10.9275 1 3 3 15 20.6712 12.9832 2 -3 -3 15 23.4562 13.7433 2 0 -4 15 235.229 33.7648 2 0 4 15 270.030 33.5694 2 0 -4 -15 267.369 34.7381 2 0 4 -15 207.480 26.8818 1 1 -4 15 145.679 25.6554 2 -1 4 15 109.425 22.9969 2 1 4 -15 123.574 20.0863 1 -1 -4 15 109.560 22.9855 2 1 4 15 84.4955 21.6113 2 -1 4 -15 85.0004 18.5449 1 1 -4 -15 49.8309 18.5503 2 2 -4 15 37.0564 16.6048 2 2 4 -15 29.0777 13.3600 1 -2 4 15 35.0933 15.3422 2 -2 4 -15 80.9284 17.7902 1 2 4 15 52.9050 18.2442 2 -2 -4 15 43.2396 18.1429 2 2 -4 -15 70.3169 21.2496 2 0 -5 15 122.778 24.4532 2 0 -5 -15 85.9161 23.5338 2 0 5 -15 108.249 20.0379 1 0 5 15 121.136 23.4918 2 -1 -5 -15 103.890 25.7335 2 1 -5 -15 118.372 25.0204 2 0 0 0 0.00 0.00 0 _exptl_absorpt_process_details 'SADABS 2014/5' _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 0.7453 _exptl_absorpt_correction_T_min 0.4736 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 0.71073 10.030 12.071 12.940 90.009 89.998 89.974 ) ; _shelx_hkl_checksum 53035 _shelx_res_file ; TITL gvsu217c_a.res in P2(1)2(1)2(1) zl5035_attached1.res created by SHELXL-2019/2 at 12:18:04 on 14-Sep-2022 REM Old TITL GVSU217C in P2(1)2(1)2(1) REM SHELXT solution in P2(1)2(1)2(1): R1 0.054, Rweak 0.012, Alpha 0.006 REM 0.622 for 21 systematic absences, Orientation as input REM Flack x = 0.011 ( 0.008 ) from 1153 Parsons quotients REM Formula found by SHELXT: C17 Cl2 Au REM EADP C1A C1B REM EXYZ C1A C1B CELL 0.71073 10.0322 12.0784 12.9412 90 90 90 ZERR 4 0.0013 0.0015 0.0016 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Au Cl P S UNIT 64 52 4 4 4 4 DFIX 1.7 0.002 S1C C1C DFIX 1.34 0.002 C1C C2C C3C C4C DFIX 1.41 0.002 C2C C3C SIMU 0.002 0.004 2 $C $S $P SADI P1 C1A P1 C1B P1 C1C P1 C1D SADI P1 C1 P1 C14 P1 C7 FLAT C2B C4B S1B C1B C3B FLAT C3A C2A S1A C4A C1A SUMP 1 0 1 3 1 4 1 6 1 8 SUMP 1 0 1 2 1 3 1 4 SUMP 1 0 1 5 1 6 SUMP 1 0 1 7 1 8 L.S. 21 0 0 PLAN 4 SIZE 0.114 0.164 0.244 TEMP -100 CONF LIST 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.023400 0.253500 FVAR 0.30262 0.59374 0.27779 0.12847 0.59450 0.40550 0.81178 FVAR 0.18822 AU1 3 0.333528 0.568619 0.757653 11.00000 0.03260 0.03393 = 0.03470 0.00163 0.00094 -0.00391 CL1 4 0.121839 0.510480 0.794640 11.00000 0.04101 0.06125 = 0.05110 -0.00314 0.00810 -0.01577 P1 5 0.538803 0.626949 0.721525 11.00000 0.03446 0.03078 = 0.03187 -0.00002 -0.00180 -0.00264 PART 1 AFIX 66 C14 1 0.656387 0.517282 0.705299 71.00000 0.03546 0.03085 = 0.03911 -0.00159 -0.00100 -0.00091 C15 1 0.675259 0.445692 0.788113 71.00000 0.03676 0.03237 = 0.04142 -0.00152 -0.00089 0.00053 AFIX 43 H15 2 0.627496 0.456824 0.850642 71.00000 -1.20000 AFIX 65 C16 1 0.764016 0.357815 0.779435 71.00000 0.03678 0.03318 = 0.04264 -0.00141 -0.00046 0.00104 AFIX 43 H16 2 0.776914 0.308886 0.836035 71.00000 -1.20000 AFIX 65 C17 1 0.833902 0.341527 0.687945 71.00000 0.03730 0.03300 = 0.04279 -0.00265 -0.00054 0.00034 AFIX 43 H17 2 0.894563 0.281466 0.682016 71.00000 -1.20000 AFIX 65 C18 1 0.815031 0.413116 0.605132 71.00000 0.03684 0.03262 = 0.04194 -0.00170 -0.00013 0.00022 AFIX 43 H18 2 0.862795 0.401984 0.542603 71.00000 -1.20000 AFIX 65 C19 1 0.726274 0.500994 0.613807 71.00000 0.03628 0.03158 = 0.04112 -0.00171 -0.00103 0.00000 AFIX 43 H19 2 0.713377 0.549922 0.557208 71.00000 -1.20000 AFIX 0 SAME 0.001 0.04 S1C > C4C PART 2 S1D 6 0.704005 0.415537 0.781609 81.00000 0.03768 0.03265 = 0.04194 -0.00173 -0.00074 0.00009 C1D 1 0.666821 0.514414 0.692763 81.00000 0.03596 0.03146 = 0.03934 -0.00142 -0.00108 -0.00056 C2D 1 0.743778 0.493120 0.610329 81.00000 0.03625 0.03174 = 0.04075 -0.00170 -0.00074 -0.00019 AFIX 43 H2D 2 0.746278 0.539222 0.550884 81.00000 -1.20000 AFIX 0 C3D 1 0.820594 0.395929 0.620167 81.00000 0.03673 0.03242 = 0.04187 -0.00189 -0.00050 0.00016 AFIX 43 H3D 2 0.869591 0.365043 0.564353 81.00000 -1.20000 AFIX 0 C4D 1 0.818808 0.350734 0.714662 81.00000 0.03719 0.03294 = 0.04242 -0.00200 -0.00043 0.00033 AFIX 43 H4D 2 0.873830 0.292031 0.738489 81.00000 -1.20000 AFIX 66 C7 1 0.608181 0.712511 0.818192 51.00000 0.03735 0.03655 = 0.03359 0.00027 -0.00455 -0.00533 C8 1 0.527723 0.775623 0.882818 51.00000 0.03653 0.03620 = 0.03268 0.00022 -0.00520 -0.00547 AFIX 43 H8 2 0.433508 0.772389 0.876081 51.00000 -1.20000 AFIX 65 C9 1 0.585114 0.843466 0.957301 51.00000 0.03787 0.03744 = 0.03364 -0.00036 -0.00473 -0.00530 AFIX 43 H9 2 0.530123 0.886600 1.001469 51.00000 -1.20000 AFIX 65 C10 1 0.722965 0.848198 0.967159 51.00000 0.03875 0.03854 = 0.03436 -0.00064 -0.00419 -0.00617 AFIX 43 H10 2 0.762189 0.894567 1.018065 51.00000 -1.20000 AFIX 65 C11 1 0.803425 0.785087 0.902534 51.00000 0.03908 0.03983 = 0.03504 -0.00115 -0.00466 -0.00631 AFIX 43 H11 2 0.897640 0.788321 0.909272 51.00000 -1.20000 AFIX 65 C12 1 0.746035 0.717243 0.828050 51.00000 0.03906 0.03980 = 0.03532 -0.00047 -0.00549 -0.00598 AFIX 43 H12 2 0.801027 0.674109 0.783882 51.00000 -1.20000 AFIX 0 SAME 0.001 0.04 S1C > C4C PART 3 S1A 6 0.631805 0.821576 0.590315 41.00000 0.04037 0.03725 = 0.03420 0.00253 -0.00426 -0.00328 C1A 1 0.526944 0.711570 0.599862 41.00000 0.03959 0.03638 = 0.03367 0.00219 -0.00429 -0.00315 C2A 1 0.449760 0.714205 0.515230 41.00000 0.04051 0.03717 = 0.03392 0.00239 -0.00488 -0.00332 AFIX 43 H2A 2 0.378806 0.663474 0.504209 41.00000 -1.20000 AFIX 0 C3A 1 0.482316 0.798248 0.443944 41.00000 0.04079 0.03758 = 0.03397 0.00257 -0.00487 -0.00340 AFIX 43 H3A 2 0.438606 0.807240 0.379366 41.00000 -1.20000 AFIX 0 C4A 1 0.581141 0.864109 0.476549 41.00000 0.04049 0.03738 = 0.03396 0.00255 -0.00453 -0.00338 AFIX 43 H4A 2 0.616245 0.925573 0.439705 41.00000 -1.20000 AFIX 0 SAME 0.001 0.04 S1C > C4C PART 2 S1B 6 0.449495 0.676592 0.502693 31.00000 0.04145 0.03837 = 0.03442 0.00273 -0.00555 -0.00355 C1B 1 0.539354 0.718685 0.606830 31.00000 0.03947 0.03634 = 0.03358 0.00218 -0.00429 -0.00310 C2B 1 0.592422 0.817624 0.583849 31.00000 0.04005 0.03706 = 0.03393 0.00248 -0.00449 -0.00323 AFIX 43 H2B 2 0.639402 0.861263 0.632876 31.00000 -1.20000 AFIX 0 C3B 1 0.572467 0.851262 0.480672 31.00000 0.04056 0.03744 = 0.03396 0.00257 -0.00458 -0.00338 AFIX 43 H3B 2 0.608977 0.916836 0.451653 31.00000 -1.20000 AFIX 0 C4B 1 0.495881 0.779701 0.428472 31.00000 0.04077 0.03757 = 0.03391 0.00259 -0.00483 -0.00344 AFIX 43 H4B 2 0.471660 0.787607 0.357890 31.00000 -1.20000 AFIX 66 PART 1 C1 1 0.543542 0.706255 0.606621 21.00000 0.03925 0.03615 = 0.03343 0.00212 -0.00424 -0.00293 C2 1 0.465798 0.672151 0.523608 21.00000 0.04100 0.03772 = 0.03413 0.00267 -0.00523 -0.00344 AFIX 43 H2 2 0.417715 0.604513 0.527384 21.00000 -1.20000 AFIX 65 C3 1 0.458407 0.737011 0.435069 21.00000 0.04110 0.03784 = 0.03408 0.00252 -0.00501 -0.00366 AFIX 43 H3 2 0.405272 0.713702 0.378334 21.00000 -1.20000 AFIX 65 C4 1 0.528759 0.835976 0.429542 21.00000 0.04029 0.03749 = 0.03361 0.00239 -0.00448 -0.00341 AFIX 43 H4 2 0.523707 0.880305 0.369030 21.00000 -1.20000 AFIX 65 C5 1 0.606504 0.870082 0.512554 21.00000 0.04063 0.03733 = 0.03394 0.00269 -0.00454 -0.00340 AFIX 43 H5 2 0.654586 0.937720 0.508777 21.00000 -1.20000 AFIX 65 C6 1 0.613896 0.805222 0.601094 21.00000 0.04030 0.03716 = 0.03415 0.00269 -0.00428 -0.00335 AFIX 43 H6 2 0.667031 0.828532 0.657829 21.00000 -1.20000 AFIX 0 S1C 6 0.776527 0.721386 0.844927 61.00000 0.03921 0.04150 = 0.03674 -0.00084 -0.00645 -0.00678 C1C 1 0.608862 0.716095 0.826904 61.00000 0.03734 0.03674 = 0.03373 0.00025 -0.00480 -0.00536 C2C 1 0.545843 0.787187 0.889828 61.00000 0.03683 0.03616 = 0.03280 0.00000 -0.00520 -0.00540 AFIX 43 H2C 2 0.451912 0.796796 0.892307 61.00000 -1.20000 AFIX 0 C3C 1 0.637461 0.845750 0.951789 61.00000 0.03807 0.03771 = 0.03374 -0.00061 -0.00476 -0.00564 AFIX 43 H3C 2 0.611592 0.898620 1.002304 61.00000 -1.20000 AFIX 0 C4C 1 0.764641 0.819313 0.932238 61.00000 0.03890 0.03889 = 0.03484 -0.00100 -0.00497 -0.00600 AFIX 43 H4C 2 0.838950 0.853177 0.964973 61.00000 -1.20000 AFIX 0 HKLF 4 REM gvsu217c_a.res in P2(1)2(1)2(1) REM wR2 = 0.0587, GooF = S = 1.075, Restrained GooF = 0.983 for all data REM R1 = 0.0254 for 2854 Fo > 4sig(Fo) and 0.0281 for all 3075 data REM 341 parameters refined using 837 restraints END WGHT 0.0234 0.2543 REM Highest difference peak 1.017, deepest hole -0.528, 1-sigma level 0.117 Q1 1 -0.0007 0.5654 0.7540 11.00000 0.05 1.02 Q2 1 0.6674 0.7965 0.7448 11.00000 0.05 1.01 Q3 1 0.5199 0.7971 0.9020 11.00000 0.05 0.81 Q4 1 0.3964 0.5821 0.8042 11.00000 0.05 0.53 ; _shelx_res_checksum 98701 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Au Au1 0.33353(3) 0.56862(2) 0.75765(2) 0.03375(11) Uani d 1 . . Cl Cl1 0.1218(2) 0.5105(2) 0.79464(19) 0.0511(6) Uani d 1 . . P P1 0.5388(2) 0.62695(16) 0.72152(16) 0.0324(4) Uani d 1 . . C C14 0.6564(8) 0.5173(6) 0.7053(6) 0.0351(9) Uani d 0.812(2) A 1 C C15 0.6753(8) 0.4457(6) 0.7881(4) 0.0368(11) Uani d 0.812(2) A 1 H H15 0.627496 0.456824 0.850642 0.044 Uiso calc 0.812(2) A 1 C C16 0.7640(7) 0.3578(5) 0.7794(4) 0.0375(11) Uani d 0.812(2) A 1 H H16 0.776914 0.308886 0.836035 0.045 Uiso calc 0.812(2) A 1 C C17 0.8339(7) 0.3415(5) 0.6879(5) 0.0377(11) Uani d 0.812(2) A 1 H H17 0.894563 0.281466 0.682016 0.045 Uiso calc 0.812(2) A 1 C C18 0.8150(8) 0.4131(6) 0.6051(4) 0.0371(11) Uani d 0.812(2) A 1 H H18 0.862795 0.401984 0.542603 0.045 Uiso calc 0.812(2) A 1 C C19 0.7263(9) 0.5010(6) 0.6138(5) 0.0363(10) Uani d 0.812(2) A 1 H H19 0.713377 0.549922 0.557208 0.044 Uiso calc 0.812(2) A 1 S S1D 0.7040(12) 0.4155(10) 0.7816(9) 0.0374(10) Uani d 0.188(2) A 2 C C1D 0.667(4) 0.514(2) 0.6928(18) 0.0356(10) Uani d 0.188(2) A 2 C C2D 0.744(4) 0.493(3) 0.610(2) 0.0362(11) Uani d 0.188(2) A 2 H H2D 0.746278 0.539222 0.550884 0.043 Uiso calc 0.188(2) A 2 C C3D 0.821(4) 0.396(2) 0.6202(18) 0.0370(11) Uani d 0.188(2) A 2 H H3D 0.869591 0.365043 0.564353 0.044 Uiso calc 0.188(2) A 2 C C4D 0.819(3) 0.351(3) 0.7147(17) 0.0375(11) Uani d 0.188(2) A 2 H H4D 0.873830 0.292031 0.738489 0.045 Uiso calc 0.188(2) A 2 C C7 0.6082(10) 0.7125(13) 0.8182(11) 0.0358(9) Uani d 0.595(2) A 2 C C8 0.5277(8) 0.7756(12) 0.8828(10) 0.0351(10) Uani d 0.595(2) A 2 H H8 0.433508 0.772389 0.876081 0.042 Uiso calc 0.595(2) A 2 C C9 0.5851(9) 0.8435(9) 0.9573(8) 0.0363(11) Uani d 0.595(2) A 2 H H9 0.530123 0.886600 1.001469 0.044 Uiso calc 0.595(2) A 2 C C10 0.7230(9) 0.8482(8) 0.9672(7) 0.0372(12) Uani d 0.595(2) A 2 H H10 0.762189 0.894567 1.018065 0.045 Uiso calc 0.595(2) A 2 C C11 0.8034(8) 0.7851(10) 0.9025(8) 0.0380(11) Uani d 0.595(2) A 2 H H11 0.897640 0.788321 0.909272 0.046 Uiso calc 0.595(2) A 2 C C12 0.7460(10) 0.7172(11) 0.8281(9) 0.0381(10) Uani d 0.595(2) A 2 H H12 0.801027 0.674109 0.783882 0.046 Uiso calc 0.595(2) A 2 S S1A 0.6318(19) 0.8216(16) 0.5903(12) 0.0373(9) Uani d 0.128(3) A 3 C C1A 0.527(3) 0.712(2) 0.600(2) 0.0365(9) Uani d 0.128(3) A 3 C C2A 0.450(3) 0.714(3) 0.515(2) 0.0372(10) Uani d 0.128(3) A 3 H H2A 0.378806 0.663474 0.504209 0.045 Uiso calc 0.128(3) A 3 C C3A 0.482(3) 0.798(2) 0.444(2) 0.0374(10) Uani d 0.128(3) A 3 H H3A 0.438606 0.807240 0.379366 0.045 Uiso calc 0.128(3) A 3 C C4A 0.581(3) 0.864(3) 0.4765(19) 0.0373(10) Uani d 0.128(3) A 3 H H4A 0.616245 0.925573 0.439705 0.045 Uiso calc 0.128(3) A 3 S S1B 0.4495(10) 0.6766(7) 0.5027(7) 0.0381(9) Uani d 0.278(3) A 2 C C1B 0.539(3) 0.7187(17) 0.6068(13) 0.0365(9) Uani d 0.278(3) A 2 C C2B 0.592(3) 0.8176(17) 0.5838(16) 0.0370(10) Uani d 0.278(3) A 2 H H2B 0.639402 0.861263 0.632876 0.044 Uiso calc 0.278(3) A 2 C C3B 0.572(3) 0.8513(18) 0.4807(15) 0.0373(10) Uani d 0.278(3) A 2 H H3B 0.608977 0.916836 0.451653 0.045 Uiso calc 0.278(3) A 2 C C4B 0.496(3) 0.7797(15) 0.4285(15) 0.0374(10) Uani d 0.278(3) A 2 H H4B 0.471660 0.787607 0.357890 0.045 Uiso calc 0.278(3) A 2 C C1 0.5435(15) 0.7063(10) 0.6066(7) 0.0363(9) Uani d 0.594(3) A 1 C C2 0.4658(12) 0.6722(8) 0.5236(8) 0.0376(9) Uani d 0.594(3) A 1 H H2 0.417715 0.604513 0.527384 0.045 Uiso calc 0.594(3) A 1 C C3 0.4584(10) 0.7370(8) 0.4351(7) 0.0377(10) Uani d 0.594(3) A 1 H H3 0.405272 0.713702 0.378334 0.045 Uiso calc 0.594(3) A 1 C C4 0.5288(11) 0.8360(7) 0.4295(6) 0.0371(10) Uani d 0.594(3) A 1 H H4 0.523707 0.880305 0.369030 0.045 Uiso calc 0.594(3) A 1 C C5 0.6065(11) 0.8701(7) 0.5126(7) 0.0373(10) Uani d 0.594(3) A 1 H H5 0.654586 0.937720 0.508777 0.045 Uiso calc 0.594(3) A 1 C C6 0.6139(14) 0.8052(10) 0.6011(7) 0.0372(9) Uani d 0.594(3) A 1 H H6 0.667031 0.828532 0.657829 0.045 Uiso calc 0.594(3) A 1 S S1C 0.7765(6) 0.7214(6) 0.8449(5) 0.0391(9) Uani d 0.406(2) A 1 C C1C 0.6089(7) 0.716(2) 0.8269(19) 0.0359(9) Uani d 0.406(2) A 1 C C2C 0.5458(15) 0.7872(18) 0.8898(16) 0.0353(11) Uani d 0.406(2) A 1 H H2C 0.451912 0.796796 0.892307 0.042 Uiso calc 0.406(2) A 1 C C3C 0.6375(13) 0.8457(16) 0.9518(14) 0.0365(11) Uani d 0.406(2) A 1 H H3C 0.611592 0.898620 1.002304 0.044 Uiso calc 0.406(2) A 1 C C4C 0.7646(14) 0.8193(16) 0.9322(14) 0.0375(11) Uani d 0.406(2) A 1 H H4C 0.838950 0.853177 0.964973 0.045 Uiso calc 0.406(2) A 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Au1 0.03260(17) 0.03393(17) 0.03470(17) -0.00391(13) 0.00094(16) 0.00163(15) Cl1 0.0410(13) 0.0613(15) 0.0511(14) -0.0158(12) 0.0081(10) -0.0031(12) P1 0.0345(10) 0.0308(9) 0.0319(10) -0.0026(8) -0.0018(8) 0.0000(8) C14 0.0355(18) 0.0308(18) 0.0391(17) -0.0009(17) -0.0010(16) -0.0016(16) C15 0.037(2) 0.032(2) 0.0414(19) 0.001(2) -0.0009(19) -0.0015(19) C16 0.037(2) 0.033(2) 0.043(2) 0.001(2) 0.000(2) -0.001(2) C17 0.037(2) 0.033(2) 0.043(2) 0.000(2) -0.001(2) -0.0026(19) C18 0.037(2) 0.033(2) 0.042(2) 0.000(2) -0.0001(19) -0.0017(19) C19 0.036(2) 0.032(2) 0.041(2) 0.0000(19) -0.0010(18) -0.0017(18) S1D 0.038(2) 0.033(2) 0.0419(18) 0.0001(18) -0.0007(18) -0.0017(18) C1D 0.0360(19) 0.0315(18) 0.0393(18) -0.0006(17) -0.0011(17) -0.0014(17) C2D 0.036(2) 0.032(2) 0.041(2) 0.000(2) -0.0007(19) -0.0017(19) C3D 0.037(2) 0.032(2) 0.042(2) 0.000(2) -0.001(2) -0.002(2) C4D 0.037(2) 0.033(2) 0.042(2) 0.000(2) 0.000(2) -0.002(2) C7 0.0374(18) 0.0366(17) 0.0336(18) -0.0053(17) -0.0045(16) 0.0003(15) C8 0.037(2) 0.036(2) 0.033(2) -0.005(2) -0.0052(19) 0.0002(18) C9 0.038(2) 0.037(2) 0.034(2) -0.005(2) -0.005(2) -0.0004(18) C10 0.039(2) 0.039(2) 0.034(2) -0.006(2) -0.004(2) -0.001(2) C11 0.039(2) 0.040(2) 0.035(2) -0.006(2) -0.005(2) -0.0011(18) C12 0.039(2) 0.0398(19) 0.035(2) -0.0060(19) -0.0055(19) -0.0005(17) S1A 0.0404(18) 0.0373(18) 0.0342(18) -0.0033(17) -0.0043(17) 0.0025(16) C1A 0.0396(17) 0.0364(16) 0.0337(17) -0.0032(16) -0.0043(15) 0.0022(15) C2A 0.0405(18) 0.0372(18) 0.0339(18) -0.0033(17) -0.0049(17) 0.0024(16) C3A 0.0408(19) 0.0376(18) 0.0340(18) -0.0034(17) -0.0049(17) 0.0026(17) C4A 0.0405(19) 0.0374(19) 0.0340(19) -0.0034(18) -0.0045(17) 0.0025(17) S1B 0.0414(18) 0.0384(17) 0.0344(18) -0.0036(16) -0.0055(16) 0.0027(15) C1B 0.0395(17) 0.0363(16) 0.0336(17) -0.0031(16) -0.0043(15) 0.0022(15) C2B 0.0401(19) 0.0371(18) 0.0339(18) -0.0032(17) -0.0045(17) 0.0025(16) C3B 0.0406(19) 0.0374(18) 0.0340(19) -0.0034(18) -0.0046(17) 0.0026(17) C4B 0.0408(19) 0.0376(18) 0.0339(18) -0.0034(17) -0.0048(17) 0.0026(17) C1 0.0393(17) 0.0361(16) 0.0334(16) -0.0029(16) -0.0042(15) 0.0021(15) C2 0.0410(18) 0.0377(17) 0.0341(18) -0.0034(17) -0.0052(16) 0.0027(16) C3 0.0411(19) 0.0378(19) 0.0341(19) -0.0037(18) -0.0050(17) 0.0025(17) C4 0.040(2) 0.037(2) 0.034(2) -0.0034(19) -0.0045(18) 0.0024(18) C5 0.0406(19) 0.0373(18) 0.0339(19) -0.0034(18) -0.0045(17) 0.0027(17) C6 0.0403(18) 0.0372(18) 0.0341(18) -0.0034(17) -0.0043(17) 0.0027(16) S1C 0.0392(19) 0.0415(17) 0.0367(18) -0.0068(17) -0.0065(16) -0.0008(15) C1C 0.0373(18) 0.0367(17) 0.0337(18) -0.0054(17) -0.0048(17) 0.0002(16) C2C 0.037(2) 0.036(2) 0.033(2) -0.005(2) -0.0052(19) 0.0000(18) C3C 0.038(2) 0.038(2) 0.034(2) -0.006(2) -0.005(2) -0.0006(18) C4C 0.039(2) 0.039(2) 0.035(2) -0.006(2) -0.0050(19) -0.0010(18) 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' Au Au -2.0133 8.8022 '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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0.00 -1.00 0.00 0.1220 0.00 1.00 0.00 0.1220 -1.00 0.00 -2.00 0.0800 -1.00 0.00 -1.00 0.0790 1.00 0.00 1.00 0.0650 1.00 0.00 -2.00 0.0360 -1.00 0.00 2.00 0.0570 -2.00 0.00 1.00 0.0750 2.00 0.00 -1.00 0.0120 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag P1 Au1 Cl1 . . 179.42(9) ? C14 P1 Au1 . . 113.6(3) ? C14 P1 C1C . . 105.3(6) ? C1D P1 Au1 . . 116.0(12) ? C7 P1 Au1 . . 113.6(5) ? C7 P1 C1D . . 106.9(14) ? C7 P1 C1B . . 102.5(8) ? C1A P1 Au1 . . 106.8(9) ? C1B P1 Au1 . . 111.1(8) ? C1B P1 C1D . . 105.5(12) ? C1 P1 Au1 . . 111.9(5) ? C1 P1 C14 . . 106.6(6) ? C1 P1 C1C . . 106.9(11) ? C1C P1 Au1 . . 112.1(6) ? C15 C14 P1 . . 117.4(4) ? C15 C14 C19 . . 120.0 ? C19 C14 P1 . . 122.6(4) ? C14 C15 H15 . . 120.0 ? C16 C15 C14 . . 120.0 ? C16 C15 H15 . . 120.0 ? C15 C16 H16 . . 120.0 ? C15 C16 C17 . . 120.0 ? C17 C16 H16 . . 120.0 ? C16 C17 H17 . . 120.0 ? C18 C17 C16 . . 120.0 ? C18 C17 H17 . . 120.0 ? C17 C18 H18 . . 120.0 ? C17 C18 C19 . . 120.0 ? C19 C18 H18 . . 120.0 ? C14 C19 H19 . . 120.0 ? C18 C19 C14 . . 120.0 ? C18 C19 H19 . . 120.0 ? C4D S1D C1D . . 97.6(11) ? S1D C1D P1 . . 121.1(11) ? C2D C1D P1 . . 132.8(13) ? C2D C1D S1D . . 106.1(14) ? C1D C2D H2D . . 123.1 ? C1D C2D C3D . . 113.7(18) ? C3D C2D H2D . . 123.1 ? C2D C3D H3D . . 122.8 ? C4D C3D C2D . . 114(2) ? C4D C3D H3D . . 122.8 ? S1D C4D H4D . . 126.4 ? C3D C4D S1D . . 107.3(16) ? C3D C4D H4D . . 126.4 ? C8 C7 P1 . . 121.2(6) ? C8 C7 C12 . . 120.0 ? C12 C7 P1 . . 118.8(6) ? C7 C8 H8 . . 120.0 ? C7 C8 C9 . . 120.0 ? C9 C8 H8 . . 120.0 ? C8 C9 H9 . . 120.0 ? C10 C9 C8 . . 120.0 ? C10 C9 H9 . . 120.0 ? C9 C10 H10 . . 120.0 ? C11 C10 C9 . . 120.0 ? C11 C10 H10 . . 120.0 ? C10 C11 H11 . . 120.0 ? C10 C11 C12 . . 120.0 ? C12 C11 H11 . . 120.0 ? C7 C12 H12 . . 120.0 ? C11 C12 C7 . . 120.0 ? C11 C12 H12 . . 120.0 ? C4A S1A C1A . . 96.8(12) ? S1A C1A P1 . . 116.5(13) ? C2A C1A P1 . . 137.1(15) ? C2A C1A S1A . . 106.2(15) ? C1A C2A H2A . . 122.7 ? C1A C2A C3A . . 115(2) ? C3A C2A H2A . . 122.7 ? C2A C3A H3A . . 123.4 ? C4A C3A C2A . . 113(2) ? C4A C3A H3A . . 123.4 ? S1A C4A H4A . . 125.5 ? C3A C4A S1A . . 109.0(19) ? C3A C4A H4A . . 125.5 ? C4B S1B C1B . . 95.0(9) ? S1B C1B P1 . . 117.1(9) ? C2B C1B P1 . . 135.4(10) ? C2B C1B S1B . . 107.5(12) ? C1B C2B H2B . . 122.9 ? C1B C2B C3B . . 114.2(16) ? C3B C2B H2B . . 122.9 ? C2B C3B H3B . . 124.0 ? C4B C3B C2B . . 111.9(18) ? C4B C3B H3B . . 124.0 ? S1B C4B H4B . . 124.5 ? C3B C4B S1B . . 110.9(15) ? C3B C4B H4B . . 124.5 ? C2 C1 P1 . . 118.3(6) ? C2 C1 C6 . . 120.0 ? C6 C1 P1 . . 121.5(6) ? C1 C2 H2 . . 120.0 ? C1 C2 C3 . . 120.0 ? C3 C2 H2 . . 120.0 ? C2 C3 H3 . . 120.0 ? C2 C3 C4 . . 120.0 ? C4 C3 H3 . . 120.0 ? C3 C4 H4 . . 120.0 ? C5 C4 C3 . . 120.0 ? C5 C4 H4 . . 120.0 ? C4 C5 H5 . . 120.0 ? C4 C5 C6 . . 120.0 ? C6 C5 H5 . . 120.0 ? C1 C6 H6 . . 120.0 ? C5 C6 C1 . . 120.0 ? C5 C6 H6 . . 120.0 ? C4C S1C C1C . . 92.8(8) ? S1C C1C P1 . . 119.5(8) ? C2C C1C P1 . . 129.2(7) ? C2C C1C S1C . . 111.0(10) ? C1C C2C H2C . . 124.5 ? C1C C2C C3C . . 111.0(13) ? C3C C2C H2C . . 124.5 ? C2C C3C H3C . . 123.4 ? C4C C3C C2C . . 113.2(14) ? C4C C3C H3C . . 123.4 ? S1C C4C H4C . . 124.1 ? C3C C4C S1C . . 111.8(12) ? C3C C4C H4C . . 124.1 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Au1 Cl1 . 2.287(2) ? Au1 P1 . 2.226(2) ? P1 C14 . 1.786(5) ? P1 C1D . 1.907(18) ? P1 C7 . 1.766(7) ? P1 C1A . 1.881(18) ? P1 C1B . 1.852(16) ? P1 C1 . 1.769(7) ? P1 C1C . 1.874(14) ? C14 C15 . 1.3900 ? C14 C19 . 1.3900 ? C15 H15 . 0.9500 ? C15 C16 . 1.3900 ? C16 H16 . 0.9500 ? C16 C17 . 1.3900 ? C17 H17 . 0.9500 ? C17 C18 . 1.3900 ? C18 H18 . 0.9500 ? C18 C19 . 1.3900 ? C19 H19 . 0.9500 ? S1D C1D . 1.699(3) ? S1D C4D . 1.640(15) ? C1D C2D . 1.342(3) ? C2D H2D . 0.9500 ? C2D C3D . 1.410(3) ? C3D H3D . 0.9500 ? C3D C4D . 1.339(3) ? C4D H4D . 0.9500 ? C7 C8 . 1.3900 ? C7 C12 . 1.3900 ? C8 H8 . 0.9500 ? C8 C9 . 1.3900 ? C9 H9 . 0.9500 ? C9 C10 . 1.3900 ? C10 H10 . 0.9500 ? C10 C11 . 1.3900 ? C11 H11 . 0.9500 ? C11 C12 . 1.3900 ? C12 H12 . 0.9500 ? S1A C1A . 1.699(3) ? S1A C4A . 1.640(15) ? C1A C2A . 1.342(3) ? C2A H2A . 0.9500 ? C2A C3A . 1.410(3) ? C3A H3A . 0.9500 ? C3A C4A . 1.339(3) ? C4A H4A . 0.9500 ? S1B C1B . 1.699(3) ? S1B C4B . 1.640(15) ? C1B C2B . 1.342(3) ? C2B H2B . 0.9500 ? C2B C3B . 1.410(3) ? C3B H3B . 0.9500 ? C3B C4B . 1.339(3) ? C4B H4B . 0.9500 ? C1 C2 . 1.3900 ? C1 C6 . 1.3900 ? C2 H2 . 0.9500 ? C2 C3 . 1.3900 ? C3 H3 . 0.9500 ? C3 C4 . 1.3900 ? C4 H4 . 0.9500 ? C4 C5 . 1.3900 ? C5 H5 . 0.9500 ? C5 C6 . 1.3900 ? C6 H6 . 0.9500 ? S1C C1C . 1.699(3) ? S1C C4C . 1.640(15) ? C1C C2C . 1.342(3) ? C2C H2C . 0.9500 ? C2C C3C . 1.410(3) ? C3C H3C . 0.9500 ? C3C C4C . 1.339(3) ? C4C H4C . 0.9500 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA C2C H2C Cg2 3_656 0.95 2.80 141 3.59(2) C2C H2C Cg4 3_656 0.95 2.79 139 3.567(18) C3D H3D Cg1 2_664 0.95 2.87 141 3.66(3) C3D H3D Cg3 2_664 0.95 2.85 141 3.64(2) C8 H8 Cg2 3_656 0.95 2.80 131 3.496(18) C8 H8 Cg4 3_656 0.95 2.77 130 3.464(11) C18 H18 Cg1 2_664 0.95 2.96 129 3.629(10) C18 H18 Cg3 2_664 0.95 2.95 128 3.613(8) loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag Au1 P1 C14 C15 . . . . -59.1(5) ? Au1 P1 C14 C19 . . . . 119.9(4) ? Au1 P1 C7 C8 . . . . -27.0(10) ? Au1 P1 C7 C12 . . . . 153.9(6) ? Au1 P1 C1A S1A . . . . 145.5(19) ? Au1 P1 C1A C2A . . . . -30(4) ? Au1 P1 C1B S1B . . . . -45(2) ? Au1 P1 C1B C2B . . . . 132(3) ? Au1 P1 C1 C2 . . . . -39.9(9) ? Au1 P1 C1 C6 . . . . 134.8(6) ? Au1 P1 C1C S1C . . . . 152.2(14) ? Au1 P1 C1C C2C . . . . -33(3) ? P1 C14 C15 C16 . . . . 179.0(7) ? P1 C14 C19 C18 . . . . -179.0(7) ? P1 C1D C2D C3D . . . . -177(4) ? P1 C7 C8 C9 . . . . -179.1(13) ? P1 C7 C12 C11 . . . . 179.1(13) ? P1 C1A C2A C3A . . . . 179(4) ? P1 C1B C2B C3B . . . . 176(3) ? P1 C1 C2 C3 . . . . 174.8(11) ? P1 C1 C6 C5 . . . . -174.6(12) ? P1 C1C C2C C3C . . . . -174(2) ? C14 P1 C1 C2 . . . . 84.9(8) ? C14 P1 C1 C6 . . . . -100.4(8) ? C14 P1 C1C S1C . . . . 28(2) ? C14 P1 C1C C2C . . . . -158(2) ? C14 C15 C16 C17 . . . . 0.0 ? C15 C14 C19 C18 . . . . 0.0 ? C15 C16 C17 C18 . . . . 0.0 ? C16 C17 C18 C19 . . . . 0.0 ? C17 C18 C19 C14 . . . . 0.0 ? C19 C14 C15 C16 . . . . 0.0 ? S1D C1D C2D C3D . . . . 4(4) ? C1D P1 C7 C8 . . . . -156.3(10) ? C1D P1 C7 C12 . . . . 24.6(12) ? C1D P1 C1B S1B . . . . 81(2) ? C1D P1 C1B C2B . . . . -101(3) ? C1D S1D C4D C3D . . . . -6(3) ? C1D C2D C3D C4D . . . . -9(5) ? C2D C3D C4D S1D . . . . 10(4) ? C4D S1D C1D P1 . . . . -178(3) ? C4D S1D C1D C2D . . . . 1(3) ? C7 P1 C1B S1B . . . . -167.2(16) ? C7 P1 C1B C2B . . . . 10(3) ? C7 C8 C9 C10 . . . . 0.0 ? C8 C7 C12 C11 . . . . 0.0 ? C8 C9 C10 C11 . . . . 0.0 ? C9 C10 C11 C12 . . . . 0.0 ? C10 C11 C12 C7 . . . . 0.0 ? C12 C7 C8 C9 . . . . 0.0 ? S1A C1A C2A C3A . . . . 4(3) ? C1A S1A C4A C3A . . . . 1(2) ? C1A C2A C3A C4A . . . . -3(3) ? C2A C3A C4A S1A . . . . 1(3) ? C4A S1A C1A P1 . . . . -179(3) ? C4A S1A C1A C2A . . . . -3(2) ? S1B C1B C2B C3B . . . . -7(2) ? C1B P1 C7 C8 . . . . 93.0(13) ? C1B P1 C7 C12 . . . . -86.1(14) ? C1B S1B C4B C3B . . . . -3.7(17) ? C1B C2B C3B C4B . . . . 4(3) ? C2B C3B C4B S1B . . . . 0(2) ? C4B S1B C1B P1 . . . . -176(2) ? C4B S1B C1B C2B . . . . 5.9(18) ? C1 P1 C14 C15 . . . . 177.2(5) ? C1 P1 C14 C19 . . . . -3.8(7) ? C1 P1 C1C S1C . . . . -84.9(19) ? C1 P1 C1C C2C . . . . 89(2) ? C1 C2 C3 C4 . . . . 0.0 ? C2 C1 C6 C5 . . . . 0.0 ? C2 C3 C4 C5 . . . . 0.0 ? C3 C4 C5 C6 . . . . 0.0 ? C4 C5 C6 C1 . . . . 0.0 ? C6 C1 C2 C3 . . . . 0.0 ? S1C C1C C2C C3C . . . . 0(2) ? C1C P1 C14 C15 . . . . 63.9(11) ? C1C P1 C14 C19 . . . . -117.1(10) ? C1C P1 C1 C2 . . . . -162.9(7) ? C1C P1 C1 C6 . . . . 11.8(9) ? C1C S1C C4C C3C . . . . 2.5(19) ? C1C C2C C3C C4C . . . . 1(2) ? C2C C3C C4C S1C . . . . -3(2) ? C4C S1C C1C P1 . . . . 173.6(19) ? C4C S1C C1C C2C . . . . -1.6(19) ? _cod_database_fobs_code 2244181