#------------------------------------------------------------------------------ #$Date: 2024-04-27 04:56:53 +0300 (Sat, 27 Apr 2024) $ #$Revision: 291382 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/31/2023103.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_2023103 loop_ _publ_author_name 'Upmann, Daniel' 'Bockfeld, Dirk' 'Jones, Peter G.' 'T\^arcoveanu, Eliza' _publ_section_title ; Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III) ; _journal_coeditor_code YZ2053 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989024002780 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac '(C10 H23 Br P S) [Au Br4]' _chemical_formula_moiety 'C10 H23 Br P S +, Au Br4 -' _chemical_formula_sum 'C10 H23 Au Br5 P S' _chemical_formula_weight 802.83 _chemical_name_systematic ; (Bromosulfanyl)(tert-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III) ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _cell_angle_alpha 86.600(5) _cell_angle_beta 81.097(6) _cell_angle_gamma 64.862(6) _cell_formula_units_Z 2 _cell_length_a 7.8455(6) _cell_length_b 9.1380(6) _cell_length_c 15.5440(9) _cell_measurement_reflns_used 9831 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 30.7557 _cell_measurement_theta_min 2.4571 _cell_volume 996.66(13) _computing_cell_refinement ; CrysAlisPro, Version 1.171.35.11 (Rigaku OD, 2015) ; _computing_data_collection ; CrysAlisPro, Version 1.171.35.11 (Rigaku OD, 2015) ; _computing_data_reduction ; CrysAlisPro, Version 1.171.35.11 (Rigaku OD, 2015) ; _computing_molecular_graphics ; Bruker XP, Version 5.1 (Bruker, 1998) ; _computing_publication_material ; SHELXL-2019/3 (Sheldrick, 2015) ; _computing_structure_refinement ; SHELXL-2019/3 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS-97 (Sheldrick, 2008) ; _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 16.1419 _diffrn_measured_fraction_theta_full 0.968 _diffrn_measured_fraction_theta_max 0.916 _diffrn_measurement_device_type 'Oxford Diffraction Xcalibur, Eos' _diffrn_measurement_method \w-scan _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0448 _diffrn_reflns_av_unetI/netI 0.0408 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 26487 _diffrn_reflns_theta_full 30.000 _diffrn_reflns_theta_max 30.796 _diffrn_reflns_theta_min 2.462 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 17.573 _exptl_absorpt_correction_T_max 0.6207 _exptl_absorpt_correction_T_min 0.0965 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2015) ; _exptl_crystal_colour orange-red _exptl_crystal_density_diffrn 2.675 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 736 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.03 _refine_diff_density_max 2.148 _refine_diff_density_min -2.239 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.061 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 173 _refine_ls_number_reflns 5731 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.061 _refine_ls_R_factor_all 0.0339 _refine_ls_R_factor_gt 0.0269 _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^)+(0.0167P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0490 _refine_ls_wR_factor_ref 0.0520 _reflns_number_gt 5030 _reflns_number_total 5731 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yz2053.cif _cod_data_source_block 18b _cod_original_cell_volume 996.65(13) _cod_database_code 2023103 _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 0.096 _shelx_estimated_absorpt_t_max 0.621 _shelx_hkl_file ; 0 0 2 147679. 2105.19 5 0 0 -2 130332. 2987.13 6 0 0 -2 149560. 2147.86 9 0 0 -2 148829. 1791.53 16 0 0 2 147142. 1841.72 16 0 0 3 1850.36 301.711 9 0 0 3 1808.02 283.611 5 0 0 -3 1818.79 296.459 9 0 0 -3 1608.44 390.654 2 0 0 -3 1639.18 216.854 16 0 0 -3 1674.18 268.789 5 0 0 3 1761.54 445.906 2 0 0 -3 1981.62 426.869 6 0 0 3 1530.14 354.159 8 0 0 3 1633.04 232.283 16 0 0 4 7685.33 885.981 8 0 0 -4 7741.58 689.276 9 0 0 4 8327.98 1140.89 2 0 0 4 8538.22 737.919 9 0 0 4 7713.94 587.163 16 0 0 4 6985.93 643.292 5 0 0 -4 6971.65 539.941 16 0 0 -4 7370.43 625.796 5 0 0 -4 9064.87 1114.03 2 0 0 -4 8838.17 1021.93 6 0 0 -5 32321.9 2315.27 2 0 0 -5 26577.6 1344.46 5 0 0 -5 31736.9 2074.46 6 0 0 5 27760.5 1476.20 9 0 0 5 28035.6 1418.10 5 0 0 -5 26089.6 1146.03 16 0 0 -5 26322.4 1406.68 9 0 0 5 27708.1 1245.15 16 0 0 5 29045.9 1870.12 8 0 0 -6 1102.76 519.609 2 0 0 6 844.435 330.514 8 0 0 6 1201.14 355.868 5 0 0 -6 591.410 193.243 5 0 0 6 665.762 169.993 10 0 0 -6 1118.03 264.921 16 0 0 6 727.972 164.649 14 0 0 -6 916.324 297.828 9 0 0 -6 1382.21 484.692 6 0 0 6 955.086 245.554 16 0 0 7 54724.6 2292.36 5 0 0 -7 53423.3 2306.15 9 0 0 -7 54259.5 1861.29 16 0 0 7 55189.6 2060.14 16 0 0 -7 67478.4 3237.71 6 0 0 7 60097.5 3020.73 8 0 0 7 54882.4 1554.36 14 0 0 7 58235.0 2808.61 3 0 0 -7 69922.2 3751.19 2 0 0 7 55266.8 1565.05 10 0 0 -8 73483.4 3446.21 6 0 0 -8 79987.5 4042.68 2 0 0 -8 58620.7 2039.89 16 0 0 8 62357.8 2586.40 5 0 0 8 65839.9 1815.30 14 0 0 8 64976.3 1810.44 10 0 0 8 71578.6 3419.21 8 0 0 -8 64872.6 2653.90 9 0 0 8 68813.7 3118.58 3 0 0 -9 836.635 415.900 6 0 0 -9 876.914 702.825 2 0 0 9 832.921 395.231 8 0 0 9 330.115 279.482 3 0 0 9 1023.66 348.821 5 0 0 -9 322.073 154.740 16 0 0 9 377.227 146.752 10 0 0 9 370.232 148.765 14 0 0 10 114550. 2546.45 10 0 0 -10 104574. 3663.45 9 0 0 -10 119966. 5193.25 2 0 0 10 111864. 2515.44 14 0 0 -10 100372. 2855.44 16 0 0 10 110305. 4079.82 3 0 0 -10 121083. 4507.68 6 0 0 10 122509. 4678.49 8 0 0 10 102630. 3565.04 5 0 0 11 23319.6 1141.55 14 0 0 -11 19693.6 1642.35 9 0 0 11 20718.9 1808.07 3 0 0 11 25549.8 2157.62 8 0 0 11 19263.2 1592.78 5 0 0 11 23535.5 1149.43 10 0 0 -11 24580.1 2069.26 6 0 0 -11 20290.0 1327.27 16 0 0 -11 25781.9 2427.79 2 0 0 12 23700.4 1942.39 3 0 0 -12 22310.6 1412.19 16 0 0 -12 23287.2 1847.10 9 0 0 -12 26125.0 2099.91 6 0 0 12 25752.4 2238.25 8 0 0 13 4809.92 834.355 3 0 0 13 5254.54 1019.15 8 0 0 -13 4955.65 691.215 16 0 0 -13 4698.47 845.177 9 0 0 14 1430.19 567.783 8 0 0 -14 662.589 307.327 9 0 0 14 810.123 289.484 3 0 0 -14 1133.55 341.033 16 0 0 -15 318.345 139.234 1 0 0 -15 406.400 234.070 16 0 0 -15-104.927 309.950 9 0 0 15 614.374 281.355 3 0 0 15 302.534 277.729 8 0 0 16 10070.0 1430.99 8 0 0 16 9434.85 1245.30 3 0 0 -16 8304.27 1194.99 9 0 0 -16 8313.45 1273.82 1 0 0 -17 22.4842 241.946 1 0 0 17 539.520 320.445 3 0 0 17-47.7525 256.810 8 0 0 18 17805.2 1753.26 3 0 0 18 19068.0 2004.54 8 0 0 -18 16828.7 1907.09 1 0 0 -19 6186.56 1228.59 1 0 0 19 5642.88 1158.05 8 0 0 -20 26701.8 2516.59 1 0 0 21 6179.06 1306.15 13 0 1 -20 1670.92 614.256 1 0 -1 20 2038.37 723.250 4 0 1 -19 451.236 279.098 1 0 1 -18 17302.1 1904.61 1 0 -1 18 18575.7 1790.17 3 0 -1 17 7262.84 1088.82 3 0 1 -16 8806.66 1290.43 9 0 1 -16 8469.35 1033.61 16 0 -1 16 9751.09 1273.62 3 0 1 -15 13867.1 1326.67 16 0 -1 15 14605.1 1526.11 3 0 1 -15 13879.2 1587.34 9 0 1 -15 14415.5 1859.97 2 0 1 -14 27084.5 2158.85 9 0 1 -14 27531.6 1830.73 16 0 -1 14 29164.2 2440.90 8 0 -1 14 27576.8 2060.08 3 0 1 -14 30357.7 2619.71 2 0 -1 13 18400.7 1935.07 8 0 1 -13 16169.2 1645.60 9 0 -1 13 17123.9 1605.03 3 0 1 -13 17148.2 1418.52 16 0 1 -13 20001.2 2099.67 2 0 1 -12 21615.0 1568.29 16 0 -1 12 20245.8 1717.95 3 0 1 -12 22390.3 2194.88 2 0 1 -12 22483.6 1876.41 9 0 -1 12 22204.1 2057.86 8 0 -1 11 797.635 358.236 3 0 1 -11 641.968 376.147 2 0 1 -11 1385.62 390.977 16 0 -1 11 994.185 329.370 8 0 1 -11 502.966 250.929 9 0 1 -10 32791.7 2561.40 2 0 -1 10 27412.6 1847.19 3 0 1 -10 35067.4 2231.20 9 0 1 -10 33357.7 1870.81 16 0 -1 10 31294.9 2311.20 8 0 1 -9 200.784 176.879 16 0 1 -9 96.2629 99.0168 2 0 1 -9 546.578 266.484 9 0 -1 9 161.150 88.1879 8 0 -1 9 139.062 180.739 3 0 -1 8 16908.8 1542.29 8 0 1 -8 15720.5 1651.56 2 0 1 -8 22202.0 1443.26 16 0 1 -8 24259.4 1745.91 9 0 -1 8 17158.8 1333.45 3 0 1 -7 1323.83 373.812 16 0 -1 7 1121.60 367.232 8 0 1 -7 1120.08 429.907 9 0 1 -7 845.363 266.065 2 0 -1 7 920.951 313.418 3 0 1 -6 10837.5 1124.11 2 0 -1 6 12069.1 976.640 6 0 1 -6 13335.6 897.881 5 0 1 -6 13843.5 1182.30 9 0 -1 6 12183.4 931.843 3 0 1 -6 13435.2 1056.53 16 0 -1 6 10705.4 1044.53 8 0 1 -5 6460.92 536.792 5 0 -1 5 6374.70 701.789 8 0 1 -5 6319.41 737.804 9 0 1 -5 5415.91 691.253 2 0 1 -5 6049.21 566.617 3 0 1 -5 6334.82 700.010 16 0 -1 5 6234.99 581.178 6 0 -1 5 5401.16 535.406 3 0 1 -5 5378.28 597.234 8 0 -1 5 6110.52 707.027 16 0 -1 4 47867.9 1576.61 2 0 -1 4 50157.6 1973.71 9 0 1 -4 50234.5 1816.62 16 0 1 -4 47420.2 1516.19 8 0 1 -4 47000.7 1332.32 3 0 -1 4 47968.4 1829.44 16 0 1 -4 47612.1 1614.27 2 0 1 -4 48311.9 1920.58 9 0 -1 4 46661.1 1343.48 3 0 -1 3 51501.4 1155.38 3 0 1 -3 50654.3 1295.37 2 0 -1 3 51265.6 1267.43 2 0 1 -3 48431.5 1735.36 9 0 1 -3 51803.4 1701.15 16 0 -1 3 49485.2 1698.25 16 0 -1 3 50428.8 1778.48 9 0 1 -3 49614.3 1129.93 3 0 -1 3 50899.0 1271.10 4 0 1 -3 50965.6 1291.90 8 0 1 -2 268163. 2170.22 3 0 -1 2 263899. 2241.09 4 0 -1 2 262471. 3534.78 16 0 -1 2 256331. 3473.67 9 0 1 -2 242164. 3387.43 16 0 -1 2 268687. 2242.39 2 0 1 -2 266836. 2282.60 4 0 1 -2 265873. 2243.45 2 0 1 -2 253530. 3374.07 9 0 -1 2 265337. 2154.34 3 0 -1 1 12978.1 413.094 3 0 1 -1 12460.5 666.535 16 0 -1 1 13356.0 395.384 2 0 1 -1 13481.4 421.901 3 0 -1 1 13556.5 395.105 4 0 1 -1 13353.3 393.265 2 0 1 -1 12935.7 394.803 4 0 1 -1 12998.5 614.251 9 0 -1 1 13022.3 688.720 16 0 -1 1 12140.4 606.879 9 0 -1 0 107714. 1189.55 3 0 1 0 110020. 986.118 1 0 1 0 107597. 1565.34 16 0 1 0 107481. 1166.16 5 0 -1 0 107291. 1022.88 4 0 -1 0 113116. 920.104 13 0 1 1 3285.34 209.211 12 0 1 1 3257.21 212.079 4 0 1 1 3199.91 213.096 15 0 -1 -1 3393.06 166.059 13 0 1 1 3462.86 249.266 5 0 1 1 3347.70 162.114 13 0 1 1 3415.29 221.221 1 0 -1 -1 3243.60 216.056 15 0 -1 -1 3396.81 241.612 7 0 -1 -1 3190.36 207.817 1 0 1 2 217741. 1860.41 12 0 -1 -2 221477. 1824.95 12 0 1 2 226648. 1888.66 13 0 1 2 224204. 2350.55 1 0 1 2 222912. 2451.16 7 0 1 2 224421. 2342.76 15 0 -1 -2 221418. 2336.61 15 0 1 2 216830. 2404.00 5 0 -1 -2 218239. 2378.34 7 0 -1 -2 221666. 2489.17 5 0 -1 -2 223533. 2301.27 1 0 -1 -2 222301. 1956.02 13 0 1 3 13778.5 553.717 12 0 1 3 15669.5 797.719 7 0 -1 -3 14771.4 769.080 5 0 1 3 14634.9 550.258 11 0 1 3 15132.6 759.684 5 0 1 3 14922.4 683.095 9 0 1 3 14467.3 744.787 15 0 -1 -3 14669.8 762.009 15 0 -1 -3 14934.4 680.375 9 0 -1 -3 14461.2 525.971 11 0 1 3 14788.8 677.762 13 0 -1 -3 15195.7 758.425 1 0 1 4 145523. 2648.02 9 0 1 4 163730. 3129.15 7 0 -1 -4 157655. 2852.73 5 0 -1 -4 155547. 2927.44 1 0 -1 -4 152112. 2135.61 11 0 -1 -4 159895. 3001.04 15 0 -1 -4 152217. 2638.34 9 0 1 4 153796. 2787.28 5 0 1 4 144641. 2138.66 12 0 -1 -5 7957.88 603.478 11 0 1 5 8277.20 736.403 9 0 1 5 7790.77 462.726 16 0 -1 -5 8287.02 446.930 16 0 -1 -5 7662.01 724.956 1 0 1 5 7573.29 698.323 5 0 -1 -5 7557.15 684.116 9 0 1 6 197066. 3941.00 5 0 -1 -6 207756. 3862.78 9 0 -1 -6 187104. 3480.15 11 0 1 6 206125. 4031.97 9 0 -1 -6 206761. 2530.45 16 0 -1 -6 196707. 4166.57 1 0 1 6 179931. 2658.65 16 0 -1 -7 3408.22 556.175 9 0 -1 -7 2724.83 505.596 1 0 1 7 3197.62 568.690 5 0 -1 -7 3309.31 356.011 16 0 1 7 3279.32 401.359 16 0 -1 -7 2878.77 461.376 11 0 -1 -8 57574.9 2425.81 11 0 -1 -8 76218.6 2672.51 9 0 -1 -8 71463.2 2899.74 1 0 1 8 70614.9 2038.41 16 0 -1 -8 54927.8 2874.52 6 0 -1 -8 70909.6 1783.93 16 0 1 8 65869.6 2671.33 5 0 -1 -9 2184.38 526.477 6 0 -1 -9 3757.96 433.192 16 0 -1 -9 2789.51 553.835 11 0 1 9 3692.81 648.764 5 0 -1 -9 4063.44 667.043 9 0 1 9 3919.65 525.195 16 0 -1 -9 3142.80 573.461 1 0 1 10 8507.51 1046.31 5 0 -1 -10 7657.15 985.709 11 0 1 10 6341.87 921.740 8 0 -1 -10 6796.89 1057.81 6 0 1 10 9246.12 844.973 16 0 -1 -10 7564.66 1043.53 1 0 -1 -10 8775.78 1016.71 9 0 -1 -10 8427.29 685.991 16 0 -1 -11 1007.46 259.675 16 0 -1 -11 657.086 316.404 1 0 1 11 506.258 95.6000 8 0 -1 -11 552.882 144.314 11 0 -1 -11 754.766 283.807 9 0 -1 -11 905.599 428.532 6 0 1 11 754.289 296.430 5 0 -1 -12 499.102 425.101 11 0 -1 -12-137.890 259.996 1 0 -1 -12 464.079 218.372 16 0 1 12 427.130 239.511 8 0 1 12 604.502 233.365 5 0 -1 -12 48.1153 151.403 9 0 -1 -12 33.0142 371.276 6 0 1 13 326.703 287.252 5 0 -1 -13 276.277 312.527 1 0 1 13 239.786 132.728 3 0 1 13 418.327 231.536 8 0 -1 -13 243.837 256.958 11 0 -1 -13-50.4871 295.034 9 0 -1 -13 580.563 390.737 6 0 -1 -13 174.044 115.245 16 0 -1 -14 11269.5 1477.91 6 0 -1 -14 11037.6 889.460 16 0 1 14 10786.9 1360.64 3 0 -1 -14 11122.4 1434.72 1 0 -1 -14 9793.24 1184.85 9 0 -1 -14 13437.7 1434.57 11 0 1 14 11403.7 1351.92 5 0 1 14 9837.04 1355.87 8 0 1 15 367.505 183.508 8 0 -1 -15 681.275 309.226 11 0 1 15 250.247 178.684 3 0 1 15-94.9743 175.438 5 0 -1 -15 759.538 464.983 1 0 -1 -15 992.329 500.054 6 0 -1 -15 305.443 131.364 9 0 -1 -16 10754.0 1502.14 1 0 -1 -16 12335.3 1569.80 6 0 -1 -16 12507.4 1410.74 11 0 1 16 10927.6 1444.24 8 0 1 16 9334.88 1275.32 3 0 -1 -17 4667.83 993.504 1 0 1 17 4924.64 1024.49 8 0 1 17 4893.72 1134.80 13 0 1 17 4826.00 954.801 3 0 1 18 25426.3 2502.98 13 0 -1 -18 25584.2 2393.49 1 0 1 18 26627.4 2364.77 8 0 1 18 24216.1 2122.36 3 0 1 19 9046.22 1386.51 8 0 1 19 8470.81 1482.92 13 0 1 19 8593.25 1283.18 3 0 -1 -19 8599.78 1451.18 1 0 1 20 2716.42 869.301 13 0 -1 -20 3658.64 964.220 1 0 1 21 1056.87 470.709 13 0 2 -21 881.758 487.603 1 0 2 -20 8504.40 1393.48 1 0 -2 20 9740.01 1604.75 4 0 -2 19 1938.04 668.601 4 0 2 -19 1876.87 628.224 1 0 -2 18 9145.57 1480.45 4 0 2 -17 5482.64 896.555 16 0 2 -17 6771.33 1360.63 2 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1158.84 5 -1 8 -2-172.581 95.0549 2 -1 8 -2 165.820 118.574 5 1 -8 2-28.8459 199.075 12 -1 8 -2 376.355 335.502 16 1 -8 2-200.783 196.246 4 1 -8 2 258.883 250.150 7 -1 8 -1 4865.15 866.400 5 -1 8 -1 4528.90 712.753 2 -1 8 -1 5093.15 909.305 16 1 -8 1 4751.40 818.202 12 1 -8 1 5063.41 886.974 7 1 -8 1 4018.25 612.150 4 1 -8 0 9.55333 116.682 12 -1 8 0 74.8970 125.065 15 1 -8 0-130.780 209.165 7 -1 8 1 29640.0 1703.79 15 1 -8 -1 28079.7 1881.68 12 -1 8 1 30992.0 2298.73 5 1 -8 -1 28269.5 2080.27 7 -1 8 2 2943.68 777.189 5 -1 8 2 2410.51 510.017 15 1 -8 -2 1760.56 423.154 12 1 -8 -2 2524.70 638.635 7 1 -8 -2 3040.32 494.706 1 -1 8 3 16433.5 1744.69 5 1 -8 -3 14696.1 1519.77 7 1 -8 -3 14886.2 1127.76 1 1 -8 -3 14558.5 1300.42 12 -1 8 3 14840.6 1320.41 15 1 -8 -4 401.350 340.084 7 -1 8 4 573.419 315.731 5 -1 8 4 697.607 343.782 15 1 -8 -4 733.432 249.215 1 1 -8 -4 938.446 378.513 12 1 -8 -5 11145.2 1386.03 7 -1 8 5 10689.9 1481.16 5 1 -8 -5 10790.8 1020.20 1 1 -8 -5 11156.5 1131.85 12 -1 8 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4172.16 818.956 1 2 -5 -10 6673.35 1007.66 7 -2 5 10 5305.56 785.053 13 -2 5 10 4375.38 977.648 5 2 -5 -11 8332.94 1203.41 1 -2 5 11 8326.41 1037.94 13 -2 5 11 9930.00 1536.34 5 -2 5 12 6173.50 1227.73 5 2 -5 -12 5749.39 1101.86 1 -2 5 12 5758.41 916.895 13 -2 5 13 639.509 421.403 13 2 -5 -13-477.010 430.779 1 -2 5 13 448.810 296.122 5 2 -5 -14 1794.10 627.441 1 -2 5 14 2229.97 659.809 13 -2 5 14 2448.95 789.827 5 2 -5 -15 2209.88 745.908 1 -2 5 15 2294.02 715.832 13 -2 5 15 2006.38 833.263 5 2 -5 -16 6939.05 1382.51 1 -2 5 16 9921.82 1687.72 5 2 -6 18 7428.63 1344.05 3 2 -6 17 4096.91 972.323 3 -2 6 -16 4518.28 1126.81 2 2 -6 16 3775.51 947.724 3 -2 6 -16 5692.12 1317.59 16 -2 6 -15 2185.56 801.145 2 -2 6 -15 1174.29 543.767 16 2 -6 15 1215.12 605.513 3 -2 6 -14 520.587 231.418 16 2 -6 14 238.478 308.930 3 -2 6 -13 12734.5 1530.89 2 -2 6 -13 11945.3 1805.99 16 2 -6 13 10856.0 1516.24 3 -2 6 -12 900.780 481.915 16 -2 6 -12 596.529 347.585 2 2 -6 12 1172.32 508.491 3 -2 6 -11 2342.11 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23091.8 1098.39 15 2 -6 2 21622.1 1583.70 3 -2 6 -2 20995.8 1383.65 2 2 -6 1-75.4436 244.090 3 -2 6 -1 170.753 126.603 15 2 -6 1 500.408 327.460 12 -2 6 -1 851.515 421.738 5 2 -6 0 26303.4 1766.72 7 2 -6 0 26015.2 1705.21 3 2 -6 0 26230.4 1099.91 1 -2 6 0 25113.8 1332.35 15 -2 6 0 25475.3 1458.53 13 -2 6 0 26820.2 1958.88 5 2 -6 0 25296.9 1589.18 12 2 -6 -1 480.366 333.930 7 -2 6 1 145.186 89.6724 15 -2 6 1 652.462 488.196 5 -2 6 1 63.6552 89.0398 13 2 -6 -1 449.342 231.925 12 -2 6 2 43904.9 2064.23 15 2 -6 -2 43498.9 1585.86 1 -2 6 2 45460.1 2704.90 5 2 -6 -2 43342.4 2307.63 7 -2 6 2 43046.0 1858.20 13 2 -6 -2 43065.4 1961.91 12 2 -6 -3 285.195 156.087 1 -2 6 3 26.5196 224.027 15 2 -6 -3 463.810 304.952 7 2 -6 -3 330.198 147.727 12 -2 6 3 459.816 270.302 5 -2 6 3 208.488 104.850 13 2 -6 -4 36490.2 1632.00 1 2 -6 -4 37879.0 2218.01 7 -2 6 4 37388.2 1731.08 13 -2 6 4 39651.1 2690.28 5 2 -6 -4 38207.5 1736.32 12 -2 6 5 9293.58 1315.03 5 2 -6 -5 9252.94 1108.96 7 2 -6 -5 9531.29 887.135 1 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2 -7 -7 413.081 269.837 1 -2 7 7 92.5968 270.582 5 -2 7 7 165.034 166.755 13 2 -7 -8 2876.23 611.483 1 2 -7 -8 3053.67 686.844 7 -2 7 8 3244.64 929.363 5 2 -7 -9 1318.46 417.522 1 2 -7 -9 378.815 255.863 7 -2 7 9 688.071 328.837 5 2 -7 -10 11328.7 1362.05 1 2 -7 -10 12778.7 1588.13 7 -2 7 10 12755.8 1817.69 5 2 -7 -11-353.369 325.065 1 -2 7 11-519.811 633.124 5 -2 7 12 17118.8 2271.02 5 2 -7 -12 16771.7 1867.05 1 2 -7 -13 3028.72 858.921 1 2 -7 -14 2178.53 720.508 1 -2 8 -13-5.41149 328.726 2 2 -8 13 353.150 310.110 3 -2 8 -12 1389.46 694.020 16 -2 8 -12 1184.34 506.781 2 2 -8 12 2048.19 769.360 3 2 -8 11 1054.66 464.490 3 -2 8 -11 498.207 203.172 16 -2 8 -11 639.892 404.939 2 2 -8 10 706.000 444.143 3 -2 8 -10-355.605 525.564 16 -2 8 -10 369.445 284.401 2 2 -8 9 2924.18 769.906 3 -2 8 -9 3567.88 1046.75 16 -2 8 -9 3199.83 742.183 2 2 -8 8 16945.9 1804.32 3 -2 8 -8 15432.1 1504.81 2 2 -8 7 1122.36 510.362 3 -2 8 -7 1513.05 468.201 2 -2 8 -6 31845.7 2067.89 2 2 -8 6 34671.2 2457.98 3 2 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48399.2 2379.53 5 -3 5 -4 3883.58 613.961 2 3 -5 4 3623.31 393.902 4 -3 5 -4 3614.98 695.777 5 3 -5 4 4039.55 699.842 3 -3 5 -3 6392.40 784.843 2 -3 5 -3 7151.50 998.086 5 3 -5 3 6944.20 876.178 3 -3 5 -2 17157.9 1272.06 13 3 -5 2 16527.2 1352.15 3 -3 5 -2 17628.8 1275.11 2 -3 5 -2 18338.4 1646.90 5 3 -5 1 1317.62 366.008 3 -3 5 -1 817.342 317.983 5 -3 5 -1 1206.77 324.117 13 3 -5 0 8258.15 507.711 1 -3 5 0 8207.70 856.039 13 -3 5 0 8623.31 1214.74 5 3 -5 0 7387.40 886.778 3 3 -5 -1 16834.1 816.124 1 -3 5 1 15200.3 1151.81 13 -3 5 1 15503.8 1665.61 5 3 -5 -1 16921.0 1186.89 12 3 -5 -1 16571.2 1308.64 3 3 -5 -2 1.56925 100.608 1 3 -5 -2 193.714 218.062 7 -3 5 2 89.6265 133.517 13 -3 5 2 58.6373 190.673 5 3 -5 -2 26.3318 64.4557 12 3 -5 -3 71751.9 1767.50 9 3 -5 -3 71637.4 2886.47 7 -3 5 3 70324.1 2492.86 13 -3 5 3 68253.8 3688.93 5 3 -5 -3 70831.5 2267.37 12 3 -5 -3 69955.5 2001.20 1 3 -5 -4 1407.71 308.874 1 3 -5 -4 1646.15 439.217 7 -3 5 4 1260.09 331.426 13 3 -5 -4 1825.46 350.839 12 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735.636 12 3 -7 1 18041.7 1654.78 3 3 -7 1 17646.4 1663.70 7 -3 7 -1 16070.1 1406.72 2 -3 7 -1 19528.1 2063.19 5 3 -7 1 16038.4 1463.62 12 3 -7 0 4206.76 839.697 7 -3 7 0 3585.65 640.493 13 -3 7 0 4589.58 1037.01 5 3 -7 0 4223.23 722.052 12 3 -7 -1 8808.83 1183.64 7 -3 7 1 8542.31 971.609 13 3 -7 -1 9084.24 1035.19 12 -3 7 1 8628.46 1405.96 5 3 -7 -2 21779.9 1865.02 7 -3 7 2 20764.1 1537.29 13 -3 7 2 21633.6 2295.37 5 3 -7 -2 20213.6 1506.47 12 3 -7 -3 12205.5 1417.62 7 -3 7 3 12800.1 1198.11 13 3 -7 -3 13037.5 1174.48 12 -3 7 3 12084.0 1731.43 5 3 -7 -4 852.948 453.599 7 -3 7 4 854.710 318.691 13 -3 7 4 426.411 150.598 5 3 -7 -5 11075.9 1358.34 7 -3 7 5 9806.27 1619.36 5 -3 7 5 10648.4 1088.50 13 -3 7 6 2118.55 517.707 13 3 -7 -6 1597.12 521.395 7 -3 7 6 1236.16 536.141 5 -3 7 7 20003.7 1552.31 13 -3 7 7 18918.0 2369.67 5 3 -7 -7 18022.1 1831.42 7 -3 7 8 2912.06 920.295 5 3 -7 -8 1761.77 590.214 7 3 -7 -9 26872.5 2304.63 7 -3 7 9 27581.6 2917.34 5 3 -7 -10 1098.16 424.588 7 -3 7 10 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3781.55 995.247 9 4 5 -15 4208.57 964.900 16 -4 -5 15 3712.07 1052.59 13 -4 -5 16 1565.07 612.143 4 4 5 -16 2356.98 763.588 9 4 5 -16 3853.89 912.821 16 -4 -5 16 3507.42 1014.78 13 4 5 -17 77.2777 326.353 9 4 5 -17 270.410 214.829 16 -4 -5 17 665.025 545.907 13 4 4 20 1773.55 656.775 3 -4 -4 -20 1587.07 558.469 1 4 4 19 276.163 314.148 3 -4 -4 -19 383.426 334.558 1 -4 -4 -18 4878.42 1021.12 1 4 4 18 6740.89 1391.86 3 4 4 17 322.030 221.204 3 -4 -4 -17 36.3064 195.139 1 4 4 16 5517.74 1314.11 3 -4 -4 -16 6118.17 1415.54 6 -4 -4 -16 4402.22 886.126 1 -4 -4 -15 2014.37 592.028 1 4 4 15 2273.46 786.072 3 4 4 15 2099.70 466.944 5 4 4 14 6434.39 988.567 15 -4 -4 -14 6458.14 986.449 1 -4 -4 -14 9713.66 1711.00 6 4 4 14 6663.52 849.750 5 4 4 14 7891.77 1515.17 3 4 4 13 5244.83 1223.03 3 -4 -4 -13 4231.96 743.227 1 -4 -4 -13 7023.33 1495.56 6 4 4 13 3732.99 737.377 15 4 4 13 4510.10 668.792 5 4 4 12 2195.03 746.471 3 4 4 12 1763.61 443.343 15 -4 -4 -12 1811.12 501.089 1 -4 -4 -12 3089.71 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16 8 8 -7 1269.86 561.167 11 -8 -8 8 25914.9 2151.81 4 8 8 -8 28702.9 2722.96 9 8 8 -8 25828.0 2726.27 16 -8 -8 8 26072.6 2136.65 13 8 8 -8 32032.8 3493.29 11 -8 -8 9 1552.78 533.268 4 -8 -8 9 2380.93 694.340 13 -8 -8 10 16966.2 1893.51 13 -8 -8 11-138.389 141.021 13 8 7 16 6605.85 1187.22 15 -8 -7 -16 6233.88 1067.66 1 8 7 15 1547.05 552.389 15 -8 -7 -15 1469.02 565.220 1 8 7 14 1878.14 598.449 15 8 7 14 2967.59 1060.78 3 -8 -7 -14 1917.31 557.623 1 8 7 13 932.673 411.605 15 8 7 13 2171.06 994.295 3 -8 -7 -13 1508.21 535.815 1 -8 -7 -12 1007.24 476.487 10 8 7 12 1918.50 563.026 15 8 7 12 1922.86 775.788 3 -8 -7 -12 1976.74 685.473 14 -8 -7 -12 1962.15 541.158 1 -8 -7 -11 2900.03 960.190 10 8 7 11 2682.91 623.266 15 8 7 11 2774.54 1029.84 3 -8 -7 -11 2348.09 581.069 1 -8 -7 -11 2430.96 808.322 14 -8 -7 -10 1987.19 738.895 10 -8 -7 -10 2928.94 630.607 1 8 7 10 2354.46 561.488 15 8 7 10 3132.05 1161.56 3 -8 -7 -10 3063.87 991.216 14 8 7 10 2678.96 553.512 5 -8 -7 -9 6672.22 1460.67 10 8 7 9 6875.50 983.090 9 8 7 9 7113.98 1312.87 16 8 7 9 7232.43 961.769 15 8 7 9 8734.95 1781.11 3 -8 -7 -9 6371.07 1378.18 14 8 7 9 8069.97 953.205 5 8 7 8 21766.0 1743.28 9 8 7 8 23624.6 2375.25 16 8 7 8 21210.2 2675.86 3 8 7 8 21793.1 1634.00 15 -8 -7 -8 20906.5 2562.73 14 8 7 8 22908.2 1617.10 5 -8 -7 -8 25052.6 2846.95 10 -8 -7 -7 1357.84 802.742 10 8 7 7 2290.67 575.550 9 8 7 7 1271.20 530.228 16 8 7 7 1899.62 483.092 15 8 7 7 1883.27 770.548 3 -8 -7 -7 2988.28 1076.58 14 8 7 7 2304.32 547.363 5 8 7 6 37542.3 2250.03 9 -8 -7 -6 35811.2 1922.37 4 8 7 6 36286.0 2906.03 16 8 7 6 35056.2 2042.86 15 8 7 6 39901.5 3321.61 3 -8 -7 -6 36217.7 3534.38 14 -8 -7 -6 41136.7 3779.74 10 -8 -7 -5 2742.98 951.781 10 8 7 5 2848.65 631.278 9 8 7 5 2188.05 730.208 16 -8 -7 -5 1991.88 440.733 4 8 7 5 3099.56 808.486 3 -8 -7 -5 2786.78 1012.59 14 -8 -7 -4 10369.6 2025.89 10 8 7 4 8905.83 1101.51 9 -8 -7 -4 9439.41 964.984 4 8 7 4 7878.58 1300.28 16 8 7 4 9277.94 1353.89 3 -8 -7 -4 10885.8 2009.40 14 -8 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7374.00 1829.19 10 8 7 -3 6340.76 1090.04 9 -8 -7 3 5562.44 825.207 4 8 7 -3 4280.82 986.393 16 -8 -7 3 6378.33 1648.31 14 -8 -7 3 5915.76 790.481 13 8 7 -3 4853.10 1061.24 11 -8 -7 4 24565.2 1785.27 4 8 7 -4 22905.4 2086.32 9 8 7 -4 23788.8 2371.78 16 -8 -7 4 28355.8 3428.76 14 -8 -7 4 26409.7 1755.87 13 8 7 -4 25996.2 2570.65 11 -8 -7 4 32611.8 3701.00 10 -8 -7 5 582.525 438.297 10 8 7 -5 1169.31 509.774 9 -8 -7 5 1053.73 375.591 4 8 7 -5 1015.21 445.324 16 -8 -7 5 1698.10 955.238 14 -8 -7 5 1134.00 394.133 13 8 7 -5 1466.21 578.540 11 -8 -7 6 18414.8 1647.14 4 8 7 -6 20158.7 2092.01 9 8 7 -6 17989.2 2123.40 16 -8 -7 6 27903.5 3188.36 14 -8 -7 6 19072.1 1654.80 13 8 7 -6 20099.0 2552.12 11 -8 -7 6 25932.8 3044.02 10 -8 -7 7 414.321 410.909 10 -8 -7 7 221.909 300.302 4 8 7 -7 285.102 157.098 9 8 7 -7 576.302 400.543 16 -8 -7 7 772.269 589.167 14 -8 -7 7 474.258 299.784 13 8 7 -7 90.5167 371.233 11 -8 -7 8 20858.1 1897.13 4 8 7 -8 20535.2 2269.18 9 8 7 -8 21727.6 2413.81 16 -8 -7 8 19868.2 1861.07 13 8 7 -8 20508.1 2721.80 11 -8 -7 9 243.806 236.939 4 8 7 -9 28.6190 265.932 9 8 7 -9-222.488 254.053 16 -8 -7 9-271.086 251.954 13 8 7 -9 428.669 361.411 11 -8 -7 10 21603.0 2090.37 4 8 7 -10 20658.7 2391.24 16 -8 -7 10 19398.1 2012.08 13 -8 -7 11 497.655 146.889 13 8 6 16 4283.44 934.944 15 8 6 15 170.542 202.895 15 8 6 15 1151.99 779.195 3 -8 -6 -15 1109.42 452.357 1 -8 -6 -14 181.519 263.976 10 8 6 14 88.1379 189.475 15 8 6 14 115.938 439.821 3 -8 -6 -14 200.638 226.893 14 -8 -6 -14 375.009 292.737 1 -8 -6 -13 2548.89 848.027 10 8 6 13 2926.37 667.470 15 8 6 13 2036.16 970.500 3 -8 -6 -13 2511.86 802.498 14 -8 -6 -13 3251.57 704.146 1 -8 -6 -12 1761.38 720.333 10 8 6 12 2434.05 580.649 15 8 6 12 2152.34 944.242 3 -8 -6 -12 991.363 539.140 14 -8 -6 -12 1391.97 426.355 1 -8 -6 -11 423.350 122.448 10 8 6 11 1350.05 468.738 15 8 6 11 1051.47 718.359 3 -8 -6 -11 903.156 566.794 14 -8 -6 -11 1607.09 465.001 1 -8 -6 -10 21211.5 1612.87 1 8 6 10 24284.7 1750.40 15 8 6 10 22384.2 2805.03 3 -8 -6 -10 20408.6 2392.70 14 -8 -6 -10 20207.0 2360.47 10 -8 -6 -9 9775.42 1654.47 10 8 6 9 8986.17 1027.66 15 8 6 9 9277.17 1750.80 3 -8 -6 -9 10121.9 1697.84 14 8 6 9 9940.13 968.383 5 8 6 8 37505.8 2045.81 15 8 6 8 40724.7 3482.57 3 -8 -6 -8 38822.8 3316.07 14 8 6 8 37847.1 1929.21 5 -8 -6 -8 34850.6 3158.92 10 -8 -6 -7 7284.34 1478.64 10 8 6 7 7289.04 887.145 15 8 6 7 8147.22 1432.63 3 -8 -6 -7 6929.79 1416.01 14 -8 -6 -6 10994.3 1865.99 10 8 6 6 12056.1 1260.72 9 8 6 6 12461.2 1151.80 15 8 6 6 12142.2 1659.41 3 -8 -6 -6 9855.77 1809.38 14 -8 -6 -5 2255.20 908.893 10 8 6 5 1610.18 489.715 9 -8 -6 -5 1478.47 354.265 4 8 6 5 1687.62 598.687 3 -8 -6 -5 1323.62 521.158 14 -8 -6 -4 378.696 434.880 10 8 6 4 180.454 87.4123 9 -8 -6 -4 548.193 225.520 4 -8 -6 -4 1262.27 675.367 14 8 6 4 741.276 348.686 3 -8 -6 -4 685.498 238.148 13 -8 -6 -3 631.411 502.373 10 8 6 3 893.138 410.742 9 8 6 3 339.035 297.748 16 -8 -6 -3 510.182 204.358 4 -8 -6 -3 85.6370 418.285 14 8 6 3 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3834.73 636.744 4 8 6 -3 2736.89 663.862 16 -8 -6 3 4314.62 1224.28 14 -8 -6 3 4431.41 699.732 13 8 6 -3 3690.49 921.395 11 -8 -6 4 3398.95 1031.15 10 8 6 -4 3269.99 765.979 9 -8 -6 4 3865.05 675.965 4 8 6 -4 3402.19 892.134 16 -8 -6 4 4771.93 1349.83 14 -8 -6 4 3697.67 660.299 13 8 6 -4 3522.86 927.085 11 -8 -6 5 6176.85 1547.38 10 -8 -6 5 4486.15 741.738 4 8 6 -5 5605.32 1037.51 9 8 6 -5 5808.05 1158.08 16 -8 -6 5 6614.16 1481.94 14 -8 -6 5 5349.52 849.366 13 8 6 -5 5646.17 1291.82 11 -8 -6 6 4408.25 1167.16 10 -8 -6 6 4613.76 788.288 4 8 6 -6 3756.46 908.743 9 8 6 -6 3471.19 897.220 16 -8 -6 6 5665.04 1496.02 14 -8 -6 6 2709.47 643.993 13 8 6 -6 3767.02 997.351 11 -8 -6 7 20800.0 1744.46 4 8 6 -7 20421.5 2097.38 9 8 6 -7 20229.1 2200.28 16 -8 -6 7 26163.2 2989.16 14 -8 -6 7 20566.3 1806.79 13 8 6 -7 21381.8 2637.59 11 -8 -6 7 28377.4 3128.57 10 -8 -6 8 11870.7 1385.93 4 8 6 -8 10051.1 1468.46 9 8 6 -8 9498.41 1545.14 16 -8 -6 8 10017.8 1331.84 13 8 6 -8 9696.71 1834.24 11 -8 -6 9 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14326.8 1659.39 16 -8 -5 4 16561.3 2464.07 14 -8 -5 4 15655.7 1409.33 13 8 5 -4 13601.9 1780.38 11 -8 -5 4 17255.2 2519.37 10 -8 -5 5 6970.66 905.764 4 -8 -5 5 8742.56 1794.47 10 8 5 -5 7714.33 1191.60 9 8 5 -5 6978.23 1193.69 16 -8 -5 5 7409.13 1472.75 8 -8 -5 5 8216.02 1752.78 14 -8 -5 5 6921.83 972.427 13 8 5 -5 6888.43 1340.95 11 -8 -5 6 11071.3 1186.24 4 -8 -5 6 12245.8 2057.27 10 8 5 -6 11555.5 1456.95 9 8 5 -6 10340.4 1511.54 16 -8 -5 6 10257.8 1757.69 8 -8 -5 6 12808.5 2095.32 14 -8 -5 6 11659.7 1307.92 13 8 5 -6 11249.7 1769.76 11 -8 -5 7 7701.17 1033.90 4 -8 -5 7 10068.1 1892.54 10 8 5 -7 7079.72 1183.98 9 8 5 -7 7761.96 1329.85 16 -8 -5 7 7941.42 1646.82 8 -8 -5 7 9084.69 1792.84 14 -8 -5 7 8031.06 1153.93 13 8 5 -7 8731.85 1611.65 11 -8 -5 8 33163.8 2256.14 4 8 5 -8 32685.3 2623.05 9 8 5 -8 34510.7 2816.26 16 -8 -5 8 35329.4 3489.20 8 -8 -5 8 40688.7 3573.81 14 -8 -5 8 31808.4 2390.06 13 8 5 -8 30528.8 3148.51 11 -8 -5 8 42939.0 3689.00 10 -8 -5 9 5527.61 982.066 4 8 5 -9 4998.08 1061.66 9 8 5 -9 3749.84 916.350 16 -8 -5 9 4490.72 1320.03 8 -8 -5 9 5191.01 990.751 13 8 5 -9 2776.79 959.474 11 -8 -5 10 6896.86 1137.61 4 8 5 -10 6597.67 1260.28 9 8 5 -10 7584.69 1361.92 16 -8 -5 10 7972.86 1314.41 13 8 5 -10 5089.18 1375.53 11 -8 -5 11 564.087 356.533 4 8 5 -11 641.984 432.917 16 -8 -5 11 203.123 310.562 13 -8 -5 12 8193.63 1339.13 4 8 5 -12 7829.06 1395.13 16 -8 -4 -18 22946.0 2747.50 2 -8 -4 -17 7197.94 1569.17 2 -8 -4 -16 20637.8 2562.02 2 -8 -4 -15 6413.10 1223.86 10 -8 -4 -15 6881.44 1545.49 2 -8 -4 -15 5337.87 1097.66 14 8 4 15 6836.73 1601.19 3 -8 -4 -14 20046.7 2510.35 2 -8 -4 -14 17335.9 2011.65 14 8 4 14 16607.6 2502.16 3 -8 -4 -14 19087.7 2118.96 10 -8 -4 -13 778.750 313.153 10 -8 -4 -13 1507.50 651.372 2 -8 -4 -13 1475.04 640.712 14 8 4 13 1002.67 462.832 3 -8 -4 -12 1473.94 617.233 10 -8 -4 -12 2486.92 785.693 2 -8 -4 -12 1961.38 619.100 14 8 4 12 1073.23 466.200 3 -8 -4 -11 6928.44 1291.14 10 -8 -4 -11 5545.42 1295.99 2 -8 -4 -11 5493.65 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3388.59 671.711 9 -8 -4 -2 3688.51 1106.47 14 -8 -4 -2 3343.74 571.346 13 8 4 2 3418.74 542.477 3 -8 -4 -1 1404.56 691.013 10 8 4 1 1657.45 476.696 9 -8 -4 -1 2728.72 662.160 8 -8 -4 -1 905.975 442.687 14 -8 -4 -1 1936.31 432.448 13 -8 -4 0 7236.76 1585.07 10 -8 -4 0 7570.95 717.767 4 8 4 0 8572.74 1091.42 9 -8 -4 0 8850.01 1233.54 8 -8 -4 0 7774.81 1628.26 14 -8 -4 0 7180.67 858.430 13 -8 -4 1 11833.9 2018.03 10 -8 -4 1 11506.9 924.179 4 8 4 -1 11439.5 1278.36 9 -8 -4 1 12398.8 1604.30 8 -8 -4 1 12341.3 2068.22 14 -8 -4 1 11944.7 1153.57 13 -8 -4 2 34008.6 1662.43 4 8 4 -2 33176.9 2207.20 9 8 4 -2 32038.0 2442.06 16 -8 -4 2 35473.3 2921.92 8 -8 -4 2 34249.7 3495.04 14 -8 -4 2 33104.4 1950.81 13 -8 -4 2 32939.4 3451.76 10 -8 -4 3 5994.06 722.717 4 -8 -4 3 7032.07 1576.99 10 8 4 -3 5900.48 959.902 9 8 4 -3 7295.31 1189.23 16 -8 -4 3 6162.13 1309.78 8 -8 -4 3 4927.30 1323.84 14 -8 -4 3 5149.88 797.235 13 -8 -4 4 63320.2 2473.75 4 8 4 -4 58764.7 3087.03 9 8 4 -4 58458.4 3353.68 16 -8 -4 4 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15366.0 2388.72 8 -8 -4 9 11998.6 1557.35 13 8 4 -9 10725.0 1932.34 11 -8 -4 9 12292.7 1407.03 4 -8 -4 10 2916.68 667.135 4 8 4 -10 2724.07 760.690 9 8 4 -10 3728.01 901.823 16 -8 -4 10 4516.77 1352.86 8 -8 -4 10 2954.77 807.609 13 8 4 -10 2683.39 905.639 11 -8 -4 11 399.188 325.160 4 8 4 -11 281.493 352.715 9 8 4 -11 254.872 363.310 16 -8 -4 11 310.350 522.499 8 -8 -4 11 1028.25 412.079 13 -8 -4 12 9298.79 1400.74 4 8 4 -12 9876.41 1512.84 16 -8 -3 -17 837.026 567.239 2 -8 -3 -16 7604.23 1599.22 2 -8 -3 -15 364.279 161.696 10 -8 -3 -15-273.452 508.823 2 -8 -3 -15-280.081 369.757 14 8 3 15-400.782 510.253 3 -8 -3 -14 22347.8 2603.15 2 8 3 14 23629.7 2914.08 3 -8 -3 -14 27559.3 2471.86 14 -8 -3 -14 28457.5 2522.00 10 -8 -3 -13 271.352 369.526 10 -8 -3 -13-567.765 516.235 2 -8 -3 -13 558.801 394.624 14 8 3 13 22.4732 246.128 3 -8 -3 -12 20411.7 2370.20 2 8 3 12 24082.8 2746.65 3 -8 -3 -12 24822.9 2375.60 14 -8 -3 -12 27487.8 2496.48 10 -8 -3 -11 5000.63 1016.40 10 -8 -3 -11 3768.42 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901.083 670.368 10 8 3 -5 1461.46 537.692 9 8 3 -5 1079.01 463.149 16 -8 -3 5 929.870 702.798 8 -8 -3 5 1337.08 662.891 14 -8 -3 5 1020.59 409.467 13 8 3 -6 22086.3 1944.05 9 8 3 -6 22048.9 2054.65 16 -8 -3 6 25372.6 3075.70 8 -8 -3 6 24405.1 2907.41 14 -8 -3 6 19601.1 1762.50 13 -8 -3 6 23655.3 2881.28 10 -8 -3 7 638.316 625.399 10 -8 -3 7 71.4466 146.775 4 8 3 -7 278.942 208.678 9 8 3 -7 398.443 317.819 16 -8 -3 7 167.867 387.020 8 -8 -3 7 558.277 675.196 14 -8 -3 7 406.873 370.903 13 8 3 -8 16261.9 1741.34 9 8 3 -8 18456.1 1950.62 16 -8 -3 8 24002.4 3023.89 8 -8 -3 8 23498.1 2787.57 14 -8 -3 8 16477.0 1738.10 13 -8 -3 8 20963.1 2615.11 10 -8 -3 8 17545.7 1570.90 4 -8 -3 9-359.157 472.793 10 -8 -3 9-19.9247 165.052 4 8 3 -9-61.5922 259.228 9 8 3 -9 294.479 362.315 16 -8 -3 9 27.2777 333.364 8 -8 -3 9 440.659 501.545 14 -8 -3 9 515.999 490.635 13 -8 -3 10 7732.84 1193.70 4 8 3 -10 6735.08 1191.94 9 8 3 -10 8474.34 1339.49 16 -8 -3 10 10451.7 2034.64 8 -8 -3 10 8595.63 1383.95 13 -8 -3 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446.275 3 9 10 10-201.058 312.839 5 9 10 9 640.080 332.833 5 9 10 8 7.95030 115.579 5 9 10 7-100.750 220.943 16 9 10 7 192.853 220.175 15 9 10 7 49.9563 158.113 5 9 10 6 1758.40 744.316 16 -9 -10 -6 2706.68 637.038 4 9 10 6 3279.73 722.852 15 9 10 6 2842.34 703.624 5 -9 -10 -5 8957.88 1156.98 4 9 10 5 9403.55 1875.16 16 9 10 5 9658.39 1320.59 5 9 10 4 1510.23 520.078 9 9 10 4 2449.48 983.099 16 -9 -10 -4 1787.86 525.131 4 9 10 4 1476.82 452.752 5 9 10 3 14534.8 1698.95 9 -9 -10 -3 16255.6 1559.32 4 9 10 3 14534.4 2273.18 16 9 10 2 2180.58 686.863 9 9 10 2 2977.25 983.988 16 -9 -10 -2 2485.21 601.301 4 9 10 1 13595.4 1693.58 9 -9 -10 -1 14543.4 1507.00 4 9 10 1 13385.7 2179.13 16 9 10 0 1768.07 703.834 9 -9 -10 0 2554.38 688.033 4 9 10 0 1873.94 801.202 16 9 10 -1 5072.53 1045.54 9 -9 -10 1 6387.82 1012.59 4 9 10 -1 4388.40 1179.42 16 9 10 -2 76.6032 269.728 9 -9 -10 2-37.7452 138.669 4 9 10 -3 1293.82 417.387 9 -9 -10 3 1135.58 451.623 4 9 10 -3 1058.58 544.244 11 9 10 -4 2353.14 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3531.69 10 -9 -9 4-44.7068 548.004 10 9 9 -4 242.347 272.994 9 -9 -9 4 197.853 187.893 4 -9 -9 4 500.286 441.280 14 9 9 -4 413.615 383.472 11 -9 -9 5 8389.56 1955.91 10 -9 -9 5 4156.64 830.733 4 -9 -9 5 8484.90 1965.72 14 9 9 -5 4324.85 1198.68 11 9 9 -6 8559.24 1704.70 11 9 8 14 425.042 305.934 15 -9 -8 -14 46.0150 171.867 1 -9 -8 -13 14836.3 1633.52 1 9 8 13 12353.3 1521.34 15 9 8 12 448.743 260.231 15 9 8 12 1338.06 759.089 3 -9 -8 -11 10585.5 1910.32 10 9 8 11 8120.63 1220.38 9 9 8 11 8218.92 1158.57 15 9 8 11 11635.5 2153.05 3 -9 -8 -11 9385.72 1748.91 14 -9 -8 -10 5470.25 1432.70 10 9 8 10 4335.00 879.335 9 9 8 10 5297.49 1302.80 16 9 8 10 4217.99 818.304 15 9 8 10 5757.00 1470.62 3 -9 -8 -10 5418.95 1389.10 14 -9 -8 -9 11106.2 2064.71 10 9 8 9 8281.84 1180.21 9 9 8 9 11736.4 1896.68 16 9 8 9 9711.14 1210.14 15 9 8 9 9887.06 1891.26 3 -9 -8 -9 11509.3 2080.81 14 -9 -8 -8 1111.68 754.612 10 9 8 8 516.716 284.407 9 9 8 8 1550.08 648.706 16 9 8 8 1650.16 519.792 15 9 8 8 1986.61 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9 8 -5 11557.3 1879.05 11 -9 -8 6 413.601 228.444 4 9 8 -6 1151.66 660.466 11 -9 -8 7 6541.83 1090.11 4 -9 -7 -13 4496.13 1227.21 10 9 7 13 4181.25 841.049 15 9 7 13 3762.67 1214.58 3 -9 -7 -13 3750.63 1082.34 14 -9 -7 -12 1979.31 899.041 10 9 7 12 1398.25 533.153 15 9 7 12 1951.37 885.732 3 -9 -7 -12 1765.80 786.802 14 -9 -7 -11 8288.92 1647.68 10 9 7 11 7276.27 1055.97 15 9 7 11 9166.22 1868.58 3 -9 -7 -11 8013.52 1602.83 14 -9 -7 -10 687.498 571.036 10 9 7 10 356.810 275.706 15 9 7 10 456.422 606.327 3 -9 -7 -10 853.101 567.196 14 9 7 9 30148.6 2279.83 9 9 7 9 30326.6 2044.52 15 9 7 9 31918.9 3192.30 3 -9 -7 -9 35164.4 3453.04 14 -9 -7 -9 32107.1 3318.65 10 -9 -7 -8 3417.26 1132.24 10 9 7 8 2947.47 701.580 9 9 7 8 4009.15 1077.32 16 9 7 8 3297.84 662.737 15 9 7 8 3777.54 1146.11 3 -9 -7 -8 4344.70 1293.32 14 9 7 7 47604.3 2793.50 9 9 7 7 45013.6 3459.51 16 9 7 7 42430.3 2351.86 15 9 7 7 45576.4 3376.99 3 -9 -7 -7 47389.1 4153.55 14 9 7 7 44252.9 2342.74 5 -9 -7 -7 44572.6 4053.41 10 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15298.9 1721.34 11 -9 -7 2 4326.88 1429.98 10 9 7 -2 3437.78 789.426 9 -9 -7 2 3514.01 681.398 4 9 7 -2 4235.29 1048.31 16 -9 -7 2 2695.28 1152.39 14 9 7 -2 4254.66 945.362 11 -9 -7 3 20403.1 3102.67 10 -9 -7 3 18930.2 1551.47 4 9 7 -3 18219.4 1956.69 9 9 7 -3 16535.7 2051.45 16 -9 -7 3 20754.3 3133.78 14 -9 -7 3 17518.2 1473.64 13 9 7 -3 17698.3 2058.38 11 -9 -7 4 10430.2 1207.13 4 -9 -7 4 14485.2 2574.93 10 9 7 -4 8260.18 1347.26 9 9 7 -4 9380.26 1549.52 16 -9 -7 4 12854.1 2410.58 14 -9 -7 4 10539.0 1183.62 13 9 7 -4 9945.71 1631.75 11 -9 -7 5 12485.0 1330.22 4 -9 -7 5 16970.0 2734.83 10 9 7 -5 12698.0 1663.63 9 9 7 -5 11369.4 1735.99 16 -9 -7 5 18138.8 2805.45 14 -9 -7 5 12385.8 1350.19 13 9 7 -5 12252.8 1922.51 11 -9 -7 6 1665.91 979.906 10 9 7 -6 1109.00 512.567 9 -9 -7 6 1066.87 406.508 4 9 7 -6 2114.78 725.720 16 -9 -7 6 1145.52 555.415 14 -9 -7 6 1201.21 432.453 13 9 7 -6 965.641 435.035 11 -9 -7 7 6123.43 1001.83 4 -9 -7 7 7303.34 1125.51 13 9 7 -7 6929.25 1596.44 11 -9 -7 8 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5260.43 782.397 15 -9 -6 -6 4499.66 1222.60 14 9 6 6 6121.57 1026.35 3 -9 -6 -5 8999.86 1801.60 10 9 6 5 9951.71 1279.86 9 -9 -6 -5 9983.79 1944.66 14 -9 -6 -4 1055.27 613.341 10 9 6 4 733.434 243.443 9 -9 -6 -4 183.102 222.558 14 -9 -6 -3 228.713 513.618 10 9 6 3 1752.83 514.157 9 9 6 3 2066.28 725.699 16 -9 -6 -3 1865.94 969.938 14 -9 -6 -2-894.308 754.109 10 9 6 2 619.426 271.336 9 9 6 2 281.888 289.627 16 -9 -6 -2-389.623 613.870 14 -9 -6 -2 268.904 175.005 13 -9 -6 -1 17255.3 2749.50 10 9 6 1 14398.0 1565.06 9 9 6 1 15259.6 1851.16 16 -9 -6 -1 15948.0 2624.91 14 -9 -6 -1 15400.2 1264.85 13 -9 -6 0 216.300 422.834 10 9 6 0 228.565 200.016 9 9 6 0 554.558 421.220 16 -9 -6 0-457.139 793.441 14 -9 -6 0 254.341 206.095 13 -9 -6 1 1118.64 639.101 10 9 6 -1 2239.30 649.402 9 9 6 -1 2390.20 745.273 16 -9 -6 1 1943.44 830.619 14 -9 -6 1 2093.51 488.979 13 -9 -6 2 226.277 411.852 10 9 6 -2 689.299 418.552 9 -9 -6 2 176.294 158.800 4 9 6 -2-124.434 222.130 16 -9 -6 2 72.6981 576.179 14 -9 -6 2-47.4489 83.8328 13 9 6 -2 437.020 421.347 11 -9 -6 3 159.067 383.119 10 9 6 -3 910.840 415.667 9 -9 -6 3 759.887 293.280 4 9 6 -3 842.138 493.099 16 -9 -6 3 612.045 384.416 14 -9 -6 3 1301.78 416.218 13 9 6 -3 400.258 296.716 11 -9 -6 4 1511.47 667.757 10 9 6 -4 1376.60 568.343 9 -9 -6 4 1957.97 484.179 4 9 6 -4 1965.47 718.289 16 -9 -6 4 3203.94 1143.36 14 -9 -6 4 2005.81 548.257 13 9 6 -4 2190.45 773.881 11 -9 -6 5 1238.37 722.607 10 9 6 -5 744.679 431.469 9 -9 -6 5 1177.91 401.138 4 9 6 -5 1090.46 561.599 16 -9 -6 5 787.671 452.675 14 -9 -6 5 864.026 342.236 13 9 6 -5 945.979 621.441 11 -9 -6 6 1319.47 853.497 10 -9 -6 6 842.332 358.283 4 9 6 -6 895.024 417.967 9 9 6 -6 409.575 436.141 16 -9 -6 6 612.739 431.480 14 -9 -6 6 489.339 341.361 13 9 6 -6 1521.82 635.715 11 -9 -6 7 13194.2 1438.37 4 -9 -6 7 15791.9 2444.50 10 9 6 -7 13510.6 1757.66 9 9 6 -7 11903.6 1756.12 16 -9 -6 7 18010.0 2612.19 14 -9 -6 7 12671.3 1512.82 13 9 6 -7 12930.1 2057.39 11 -9 -6 8 591.439 441.768 4 9 6 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5 5 47004.1 2565.96 3 -9 -5 -5 43363.4 3819.70 14 -9 -5 -5 45001.8 2135.00 13 -9 -5 -5 48692.6 4057.04 10 -9 -5 -4 7439.53 1630.93 10 9 5 4 6800.67 1041.44 9 -9 -5 -4 7715.01 1640.15 14 -9 -5 -4 7124.10 835.571 13 9 5 3 50486.0 2846.49 9 -9 -5 -3 53022.1 4421.51 14 -9 -5 -3 48932.7 2259.22 13 -9 -5 -3 51482.5 4351.60 10 -9 -5 -2 1203.27 547.401 10 9 5 2 558.814 392.413 9 -9 -5 -2-370.296 676.028 14 -9 -5 -2 383.236 224.520 13 -9 -5 -1 1126.11 841.629 10 9 5 1 427.652 127.699 9 -9 -5 -1 767.458 541.836 14 -9 -5 -1 480.237 241.974 13 9 5 0 253.682 119.198 9 9 5 0 514.972 355.424 16 -9 -5 0 1118.32 654.599 14 -9 -5 0 1048.02 321.663 13 -9 -5 1 673.687 560.303 10 9 5 -1 813.966 403.133 9 9 5 -1 1020.92 525.230 16 -9 -5 1 2075.62 997.266 14 -9 -5 1 1120.94 409.007 13 -9 -5 2 399.140 544.067 10 9 5 -2 588.394 346.293 9 9 5 -2 1072.47 486.406 16 -9 -5 2 1174.82 628.605 14 -9 -5 2 301.607 170.446 13 -9 -5 3 518.904 343.616 10 9 5 -3 575.294 435.080 9 9 5 -3 698.267 407.581 16 -9 -5 3 1193.45 726.475 14 -9 -5 3 331.485 227.961 13 -9 -5 4-461.852 657.296 10 9 5 -4 301.429 343.545 9 9 5 -4-42.5584 209.115 16 -9 -5 4 437.386 375.205 14 -9 -5 4 111.264 121.497 13 9 5 -5 17770.9 1897.06 9 9 5 -5 20123.4 2162.66 16 -9 -5 5 19064.7 2425.38 8 -9 -5 5 20181.5 2872.79 14 -9 -5 5 18927.1 1730.23 13 -9 -5 5 24494.5 3191.71 10 -9 -5 6 2546.44 1022.73 10 9 5 -6 2220.50 700.048 9 9 5 -6 1235.73 490.353 16 -9 -5 6 2198.58 923.000 8 -9 -5 6 2420.24 982.504 14 -9 -5 6 2050.90 581.767 13 9 5 -6 1871.01 723.805 11 9 5 -7 10014.2 1495.66 9 9 5 -7 13911.8 1837.52 16 -9 -5 7 13530.8 2203.68 8 -9 -5 7 17553.1 2592.19 14 -9 -5 7 13597.2 1577.84 13 9 5 -7 14214.8 2151.23 11 -9 -5 7 18416.0 2674.91 10 9 5 -8-48.3369 259.433 16 -9 -5 8 867.917 605.994 8 -9 -5 8 926.180 375.680 13 -9 -4 -15 13177.5 1866.06 14 -9 -4 -15 13397.1 1876.25 10 -9 -4 -14 2614.71 805.305 10 -9 -4 -14 3469.26 946.688 14 9 4 14 2294.70 798.681 3 -9 -4 -13 14512.2 1969.73 14 9 4 13 13242.9 2144.58 3 -9 -4 -13 16181.4 2084.69 10 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9 4 2 1339.05 492.155 9 -9 -4 -2 1922.81 812.953 14 -9 -4 -2 1609.85 439.227 13 -9 -4 -1 8516.41 1802.62 10 9 4 1 8166.26 1156.53 9 -9 -4 -1 6816.79 1581.23 14 -9 -4 -1 8112.30 1000.49 13 -9 -4 0 9566.72 1952.29 10 9 4 0 9037.51 1208.49 9 -9 -4 0 9086.61 1947.60 14 -9 -4 0 9062.53 1080.88 13 -9 -4 1 6646.28 1607.02 10 9 4 -1 5267.99 946.699 9 -9 -4 1 6958.76 1264.42 8 -9 -4 1 8818.57 1890.69 14 -9 -4 1 5457.50 833.804 13 -9 -4 2 2243.98 903.174 10 9 4 -2 1773.54 546.823 9 9 4 -2 2987.48 791.291 16 -9 -4 2 2257.18 816.106 8 -9 -4 2 3745.99 1233.14 14 -9 -4 2 2034.39 508.716 13 -9 -4 3 15045.7 2526.20 10 9 4 -3 12479.0 1487.05 9 9 4 -3 14092.9 1728.40 16 -9 -4 3 15231.1 2113.49 8 -9 -4 3 12863.4 2340.97 14 -9 -4 3 12426.1 1340.87 13 -9 -4 4 234.721 407.414 10 9 4 -4 523.393 331.629 9 9 4 -4 487.195 344.877 16 -9 -4 4 924.113 619.795 8 -9 -4 4 805.160 466.975 14 -9 -4 4 486.074 314.703 13 -9 -4 5 4148.94 1302.17 10 9 4 -5 3299.07 809.237 9 9 4 -5 4014.63 971.912 16 -9 -4 5 3564.61 1068.25 8 -9 -4 5 5920.12 1557.94 14 -9 -4 5 4422.85 818.502 13 -9 -4 6 2699.78 937.232 10 9 4 -6 1909.26 606.723 9 9 4 -6 2594.55 760.603 16 -9 -4 6 2947.80 1020.70 8 -9 -4 6 4750.31 1399.11 14 -9 -4 6 3116.09 733.621 13 -9 -4 7-531.982 568.426 10 9 4 -7 454.360 275.390 9 9 4 -7 389.001 256.634 16 -9 -4 7-198.139 385.519 8 -9 -4 7-193.394 316.430 14 -9 -4 7-69.3474 181.935 13 -9 -4 8 568.968 505.624 10 9 4 -8 77.4444 219.079 9 9 4 -8-74.2703 285.672 16 -9 -4 8 244.572 457.788 8 -9 -4 8 316.587 265.082 14 -9 -4 8 792.445 475.158 13 9 4 -9 1134.44 505.091 16 -9 -3 -14 1668.20 640.186 10 -9 -3 -14 1340.12 568.730 14 9 3 13 33548.4 3379.24 3 -9 -3 -13 38252.9 3156.34 14 -9 -3 -13 37197.8 3118.33 10 -9 -3 -12-310.447 428.339 10 -9 -3 -12 17.0603 201.736 14 9 3 12 540.953 565.569 3 9 3 11 13734.7 1950.42 3 -9 -3 -11 13746.5 1920.11 14 -9 -3 -11 12500.8 1853.18 10 -9 -3 -10 31.0689 215.322 10 -9 -3 -10 158.011 270.976 14 9 3 10 335.214 452.886 3 -9 -3 -9 5159.05 1192.73 10 -9 -3 -9 5170.68 1185.96 14 9 3 9 6842.89 1230.85 3 9 3 8 31779.1 2468.13 3 -9 -3 -8 29585.0 2831.44 14 -9 -3 -8 30066.7 2872.97 10 -9 -3 -7 2106.44 668.345 10 -9 -3 -7 3327.96 984.533 14 -9 -3 -7 2533.56 553.826 13 9 3 7 2666.77 693.859 3 9 3 6 19818.8 1724.92 3 -9 -3 -6 20405.7 2444.99 14 -9 -3 -6 21129.3 1600.40 13 -9 -3 -6 20517.5 2446.29 10 9 3 5 32465.6 2071.67 3 -9 -3 -5 30636.9 3059.85 14 -9 -3 -5 32318.8 1983.11 13 -9 -3 -5 34787.3 3262.70 10 -9 -3 -4 2097.35 823.425 10 9 3 4 2195.43 647.690 9 -9 -3 -4 1157.51 608.792 14 -9 -3 -4 1484.84 418.105 13 9 3 4 1460.77 396.312 3 9 3 3 20625.4 1791.41 9 -9 -3 -3 18331.2 2466.20 14 -9 -3 -3 19113.9 1534.74 13 -9 -3 -3 19018.7 2523.70 10 -9 -3 -2 12044.3 2051.45 10 9 3 2 11888.2 1368.00 9 -9 -3 -2 11464.7 1966.27 14 -9 -3 -2 10378.8 1156.03 13 9 3 1 19621.1 1776.84 9 -9 -3 -1 21888.2 2800.40 14 -9 -3 -1 19623.8 1597.14 13 -9 -3 -1 20269.5 2672.43 10 -9 -3 0 3592.23 1107.30 10 9 3 0 2251.98 624.823 9 -9 -3 0 3111.77 1064.76 14 -9 -3 0 2558.44 600.829 13 -9 -3 1 8225.32 1799.48 10 9 3 -1 7675.71 1115.14 9 -9 -3 1 9820.58 1681.54 8 -9 -3 1 8893.28 1873.40 14 -9 -3 1 8146.02 1056.01 13 -9 -3 2 1900.51 835.405 10 9 3 -2 1413.46 449.715 9 -9 -3 2 2684.97 875.967 8 -9 -3 2 1809.86 880.401 14 -9 -3 2 1962.24 557.242 13 -9 -3 3 5342.36 1518.65 10 9 3 -3 4158.09 839.670 9 9 3 -3 4945.12 1033.91 16 -9 -3 3 3731.00 1118.02 8 -9 -3 3 6471.48 1606.64 14 -9 -3 3 4561.81 830.520 13 -9 -3 4 876.053 596.892 10 9 3 -4 1369.96 530.987 9 9 3 -4 1059.62 504.144 16 -9 -3 4 2432.92 1032.54 8 -9 -3 4 680.055 610.235 14 -9 -3 4 975.783 374.679 13 -9 -3 5 2813.43 1096.35 10 9 3 -5 3251.00 777.947 9 9 3 -5 3838.48 918.156 16 -9 -3 5 3396.25 1155.71 8 -9 -3 5 5039.62 1487.29 14 -9 -3 5 3554.51 742.866 13 -9 -3 6 12744.3 2318.35 10 9 3 -6 13532.0 1606.80 9 9 3 -6 13658.1 1731.21 16 -9 -3 6 15121.1 2464.26 8 -9 -3 6 14165.7 2384.78 14 -9 -3 6 12009.9 1455.82 13 -9 -3 7 11247.9 2103.92 10 9 3 -7 8685.70 1342.38 9 9 3 -7 8835.43 1419.78 16 -9 -3 7 11063.7 2205.56 8 -9 -3 7 8689.37 1894.49 14 -9 -3 7 8716.45 1262.46 13 -9 -3 8 4255.10 1333.50 10 9 3 -8 1944.74 611.246 9 9 3 -8 2107.37 657.914 16 -9 -3 8 4229.69 1378.86 8 -9 -3 8 2619.87 919.943 14 9 3 -9 1769.94 576.702 16 9 3 -10 282.429 183.011 16 -9 -2 -15 5141.63 1278.28 2 -9 -2 -14-157.495 272.843 10 -9 -2 -14-703.575 606.538 2 -9 -2 -14 514.523 436.834 14 -9 -2 -13 9351.12 1557.18 10 -9 -2 -13 7157.02 1426.00 2 -9 -2 -13 9216.96 1529.79 14 9 2 13 8003.80 1640.30 3 -9 -2 -12 777.427 425.158 10 -9 -2 -12 810.788 498.846 14 9 2 12 822.966 703.938 3 9 2 11 23263.8 2486.60 3 -9 -2 -11 22571.6 2409.22 14 -9 -2 -11 22794.9 2421.44 10 -9 -2 -10 1841.19 670.910 10 -9 -2 -10 1962.85 794.174 14 9 2 10 2927.99 912.282 3 9 2 9 21957.0 2142.23 3 -9 -2 -9 20604.1 2362.18 14 -9 -2 -9 20886.9 2374.31 10 -9 -2 -8 3100.55 929.877 10 -9 -2 -8 2471.47 854.545 14 9 2 8 3199.83 762.837 3 -9 -2 -7 32347.7 3024.79 14 9 2 7 33783.5 2385.95 3 -9 -2 -7 35893.2 2214.25 13 -9 -2 -7 34417.2 3123.32 10 -9 -2 -6 4625.35 1213.50 10 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10042.8 1994.17 10 9 2 -3 8795.50 1223.09 9 -9 -2 3 11729.5 2130.40 8 -9 -2 3 8864.09 1807.69 14 -9 -2 3 9458.93 1243.05 13 -9 -2 4 9048.02 1931.06 10 9 2 -4 10252.1 1338.02 9 -9 -2 4 14868.4 2461.07 8 -9 -2 4 11125.0 2152.86 14 -9 -2 4 10734.7 1351.67 13 -9 -2 5 8483.77 1908.46 10 9 2 -5 7255.63 1140.84 9 9 2 -5 8039.88 1313.01 16 -9 -2 5 8801.25 1935.71 8 -9 -2 5 10023.1 2004.81 14 -9 -2 5 8677.62 1231.38 13 -9 -2 6 4237.43 1299.22 10 9 2 -6 2940.21 724.707 9 9 2 -6 4031.85 935.263 16 -9 -2 6 5123.66 1489.46 8 -9 -2 6 4873.61 1432.02 14 -9 -2 6 3465.38 739.671 13 -9 -2 7 3770.14 1300.27 10 9 2 -7 3316.04 809.569 9 9 2 -7 5580.28 1105.62 16 -9 -2 7 5081.37 1491.12 8 -9 -2 7 4959.11 1429.01 14 -9 -2 8 1326.24 856.994 10 9 2 -8 113.065 230.196 9 9 2 -8-300.772 362.090 16 -9 -2 8-293.180 511.331 8 -9 -2 8 823.014 637.162 14 -9 -2 9 8149.33 1769.80 10 9 2 -9 5217.90 1070.30 16 -9 -2 9 7839.34 1742.17 14 -9 -1 -14 1500.25 779.085 2 -9 -1 -13 8347.40 1435.30 10 -9 -1 -13 7708.46 1455.04 2 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173.779 189.760 8 -9 -1 5-147.677 508.661 14 -9 -1 5 690.172 326.310 13 -9 -1 6-458.127 522.241 10 9 1 -6-235.295 192.148 9 9 1 -6-166.724 294.085 16 -9 -1 6-1192.33 735.151 8 -9 -1 6-275.949 472.429 14 -9 -1 7 11352.1 2065.62 10 9 1 -7 8553.57 1286.13 9 9 1 -7 10713.6 1539.61 16 -9 -1 7 10593.3 2090.58 8 -9 -1 7 8772.57 1852.67 14 -9 -1 8-392.462 155.718 10 9 1 -8 130.626 153.297 16 -9 -1 8 116.613 268.729 14 -9 0 -12 2820.54 849.043 10 -9 0 -12 2690.23 820.760 14 -9 0 -12 4480.39 1038.90 2 -9 0 -11 8748.70 1512.04 10 -9 0 -11 10146.1 1609.16 14 -9 0 -11 10653.5 1521.97 2 -9 0 -10 1431.55 614.141 10 -9 0 -10 973.185 538.356 14 -9 0 -10 999.074 329.440 2 9 0 10 813.369 442.490 3 -9 0 -9 16730.6 1807.25 2 -9 0 -9 16370.1 2091.52 14 9 0 9 18010.5 1951.78 3 -9 0 -9 17817.0 2201.30 10 -9 0 -8 181.955 135.102 14 -9 0 -8 65.8489 226.070 2 9 0 8 37.8889 263.465 3 -9 0 -7 20567.8 1858.29 2 -9 0 -7 19463.6 2351.40 14 9 0 7 20535.5 1916.80 3 -9 0 -7 19338.2 2360.76 10 -9 0 -6 271.622 456.340 10 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2 12978.5 2457.91 14 -10 -3 2 13294.1 1507.86 13 -10 -3 3 4684.94 1561.71 10 10 3 -3 4837.01 1143.40 16 -10 -3 3 4734.17 1524.53 14 -10 -3 3 3835.18 834.484 13 -10 -3 4 11718.3 2339.55 10 -10 -3 4 11800.1 2367.22 14 -10 -3 5-150.037 304.178 8 -10 -3 6 4006.98 1313.56 8 10 2 10 11720.8 1640.65 3 10 2 9 1554.55 591.299 3 10 2 8 15687.2 1734.59 3 -10 -2 -7 1878.59 774.997 10 -10 -2 -7 1326.45 625.025 14 -10 -2 -7 1370.20 474.594 13 10 2 7 1139.29 434.217 3 -10 -2 -6 2176.79 868.221 10 -10 -2 -6 2300.88 880.501 14 -10 -2 -6 1485.00 487.206 13 -10 -2 -5 1109.69 483.055 10 10 2 5 2041.84 632.957 9 -10 -2 -5 2043.91 799.334 14 -10 -2 -5 1272.67 448.844 13 -10 -2 -4 1885.57 911.367 10 10 2 4 2361.05 665.693 9 -10 -2 -4 1931.28 743.052 14 -10 -2 -4 2699.76 651.644 13 -10 -2 -3 6818.75 1683.93 10 10 2 3 7446.54 1151.85 9 -10 -2 -3 8108.35 1827.42 14 -10 -2 -3 8150.72 1166.35 13 -10 -2 -2 13179.5 2265.73 10 10 2 2 14320.7 1652.80 9 -10 -2 -2 15152.4 2449.29 14 -10 -2 -2 11846.4 1408.36 13 -10 -2 -1 3255.77 1134.43 10 10 2 1 3560.64 803.824 9 -10 -2 -1 4020.52 1377.77 14 -10 -2 -1 2881.18 706.983 13 10 2 0 45591.6 2946.35 9 -10 -2 0 50708.7 4620.56 14 -10 -2 0 44712.7 2769.46 13 -10 -2 0 49783.1 4586.84 10 10 2 -1 836.578 471.812 9 -10 -2 1-115.484 97.8877 13 10 2 -2 38579.5 2745.04 9 -10 -2 5 1570.41 875.033 8 10 1 9 4.45033 102.101 3 10 1 8 1878.31 606.625 3 10 1 7 378.280 237.049 3 10 1 2 28111.5 2275.52 9 10 1 1 3011.84 741.826 9 10 0 7 4787.92 973.403 3 10 0 6 11930.9 1481.02 3 -11 -5 -2 39.7318 164.439 13 -11 -5 -1 805.942 332.121 13 -11 -5 0 334.892 346.668 13 -11 -4 -6-236.818 246.260 13 -11 -4 -5 2763.66 685.091 13 -11 -4 -4 1203.86 465.593 13 -11 -4 -3 2032.30 560.836 13 -11 -4 -2 1193.76 396.121 13 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 23546 _shelx_res_file ; TITL Manfred in P-1 shelx.res created by SHELXL-2019/3 at 10:32:55 on 31-Jan-2024 CELL 0.71073 7.845497 9.137978 15.543982 86.5997 81.0969 64.8619 ZERR 2.00 0.0006 0.0006 0.0009 0.005 0.006 0.006 LATT 1 SFAC C H P S Br Au UNIT 20.00 46.00 2.00 2.00 10.00 2.00 L.S. 6 FMAP 2 PLAN 10 SIZE 0.25 0.1 0.03 TEMP -173 ACTA 60 CONF 2.3 BOND $H OMIT 2 2 8 BIND BR1 BR2 HTAB C13 S1 HTAB C2 BR1 HTAB C32 BR1 HTAB C21 BR3 HTAB C11 BR5 EQIV $1 -x,1-y,1-z HTAB C2 BR2_$1 EQIV $2 1-x,1-y,1-z HTAB C22 BR3_$2 EQIV $3 1-x,-y,1-z HTAB C12 BR3_$3 HTAB C13 BR3_$3 EQIV $4 1+x,-1+y,z HTAB C12 BR4_$4 EQIV $5 x,-1+y,z HTAB C13 BR4_$5 EQIV $6 -x,-y,1-z RTAB CONT S1 BR2_$6 RTAB CONT S1 BR3_$3 EQIV $7 2-x,1-y,-z RTAB CONT BR5 BR5_$7 RTAB CONT BR1 AU1 WGHT 0.016700 FVAR 1.92814 P1 3 0.503392 0.109046 0.247992 11.00000 0.01300 0.01451 = 0.01379 -0.00087 -0.00163 -0.00619 S1 4 0.392900 -0.051944 0.303867 11.00000 0.01584 0.01540 = 0.02315 0.00116 -0.00083 -0.00685 BR1 5 0.160924 0.099356 0.403168 11.00000 0.01646 0.02354 = 0.01927 0.00017 0.00037 -0.01088 C1 1 0.742042 -0.027950 0.191811 11.00000 0.01590 0.01526 = 0.01773 0.00090 -0.00223 -0.00548 C2 1 0.506473 0.237578 0.332844 11.00000 0.01755 0.02481 = 0.01920 -0.00540 0.00076 -0.01138 AFIX 13 H2 2 0.370055 0.306364 0.355119 11.00000 -1.20000 AFIX 0 C3 1 0.352396 0.240021 0.170560 11.00000 0.01899 0.01512 = 0.01997 0.00263 -0.00439 -0.00551 AFIX 13 H3 2 0.425737 0.295673 0.135909 11.00000 -1.20000 AFIX 0 C11 1 0.800876 0.061445 0.113848 11.00000 0.02074 0.02662 = 0.02170 0.00097 0.00414 -0.00671 AFIX 137 H11A 2 0.797239 0.162321 0.134229 11.00000 -1.50000 H11B 2 0.712607 0.085987 0.071261 11.00000 -1.50000 H11C 2 0.930165 -0.007171 0.086514 11.00000 -1.50000 AFIX 0 C12 1 0.886710 -0.076550 0.255464 11.00000 0.01435 0.02922 = 0.02328 -0.00071 -0.00271 -0.00727 AFIX 137 H12A 2 1.010620 -0.154105 0.227133 11.00000 -1.50000 H12B 2 0.844151 -0.126343 0.306871 11.00000 -1.50000 H12C 2 0.898209 0.019605 0.273240 11.00000 -1.50000 AFIX 0 C13 1 0.739218 -0.182004 0.158486 11.00000 0.01991 0.01956 = 0.02220 -0.00381 -0.00142 -0.00534 AFIX 137 H13A 2 0.638084 -0.152137 0.122107 11.00000 -1.50000 H13B 2 0.715560 -0.245457 0.208142 11.00000 -1.50000 H13C 2 0.862209 -0.246547 0.123983 11.00000 -1.50000 AFIX 0 C21 1 0.596059 0.150177 0.411887 11.00000 0.02254 0.04915 = 0.02332 -0.00671 -0.00493 -0.01887 AFIX 137 H21A 2 0.734900 0.106729 0.398138 11.00000 -1.50000 H21B 2 0.558656 0.061372 0.427490 11.00000 -1.50000 H21C 2 0.552320 0.226140 0.460940 11.00000 -1.50000 AFIX 0 C22 1 0.590417 0.355027 0.293510 11.00000 0.02908 0.02812 = 0.04500 -0.01156 -0.00066 -0.02030 AFIX 137 H22A 2 0.576068 0.432071 0.338336 11.00000 -1.50000 H22B 2 0.523056 0.413800 0.245404 11.00000 -1.50000 H22C 2 0.725708 0.294173 0.271683 11.00000 -1.50000 AFIX 0 C31 1 0.309664 0.144678 0.105676 11.00000 0.02772 0.02364 = 0.02591 -0.00035 -0.01497 -0.00505 AFIX 137 H31A 2 0.227586 0.096195 0.136335 11.00000 -1.50000 H31B 2 0.429052 0.059163 0.078583 11.00000 -1.50000 H31C 2 0.245011 0.217668 0.060592 11.00000 -1.50000 AFIX 0 C32 1 0.167578 0.372767 0.215173 11.00000 0.02131 0.01825 = 0.02398 0.00026 -0.00585 -0.00198 AFIX 137 H32A 2 0.096116 0.442908 0.170905 11.00000 -1.50000 H32B 2 0.197860 0.437057 0.253499 11.00000 -1.50000 H32C 2 0.090581 0.323216 0.249639 11.00000 -1.50000 AFIX 0 AU1 6 0.000000 0.500000 0.500000 10.50000 0.01684 0.01425 = 0.01507 -0.00133 -0.00204 -0.00780 BR2 5 -0.156295 0.329236 0.559553 11.00000 0.02621 0.02399 = 0.02574 0.00259 -0.00262 -0.01649 BR3 5 0.227694 0.388390 0.601372 11.00000 0.02506 0.02838 = 0.02396 0.00443 -0.00993 -0.01321 AU2 6 0.500000 0.500000 0.000000 10.50000 0.00922 0.01233 = 0.01999 0.00101 -0.00075 -0.00528 BR4 5 0.352386 0.702721 0.113803 11.00000 0.01812 0.02443 = 0.03148 -0.01051 0.00282 -0.00830 BR5 5 0.810734 0.455591 0.031606 11.00000 0.01142 0.02067 = 0.03314 0.00139 -0.00541 -0.00777 HKLF 4 REM Manfred in P-1 REM wR2 = 0.0520, GooF = S = 1.061, Restrained GooF = 1.061 for all data REM R1 = 0.0269 for 5030 Fo > 4sig(Fo) and 0.0339 for all 5731 data REM 173 parameters refined using 0 restraints END WGHT 0.0167 0.0000 REM Highest difference peak 2.148, deepest hole -2.239, 1-sigma level 0.203 Q1 1 0.0729 0.3970 0.5009 11.00000 0.05 2.15 Q2 1 0.5842 0.4160 0.0010 11.00000 0.05 1.85 Q3 1 0.4379 0.6003 0.0604 11.00000 0.05 1.45 Q4 1 0.0794 0.4111 0.4345 11.00000 0.05 1.10 Q5 1 0.4139 0.6132 0.1248 11.00000 0.05 1.02 Q6 1 0.0896 0.2087 0.4010 11.00000 0.05 0.96 Q7 1 0.0160 0.5075 0.3939 11.00000 0.05 0.95 Q8 1 -0.0840 0.2218 0.5593 11.00000 0.05 0.93 Q9 1 0.1634 0.4808 0.5950 11.00000 0.05 0.87 Q10 1 0.8039 0.4463 0.0841 11.00000 0.05 0.84 ; _shelx_res_checksum 71090 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 P P1 0.50339(12) 0.10905(11) 0.24799(7) 0.01362(19) Uani d 1 . . S S1 0.39290(12) -0.05194(10) 0.30387(7) 0.0183(2) Uani d 1 . . Br Br1 0.16092(5) 0.09936(4) 0.40317(3) 0.01924(8) Uani d 1 . . C C1 0.7420(5) -0.0279(4) 0.1918(3) 0.0167(8) Uani d 1 . . C C2 0.5065(5) 0.2376(5) 0.3328(3) 0.0198(8) Uani d 1 . . H H2 0.370055 0.306364 0.355119 0.024 Uiso calc 1 . . C C3 0.3524(5) 0.2400(4) 0.1706(3) 0.0185(8) Uani d 1 . . H H3 0.425737 0.295673 0.135909 0.022 Uiso calc 1 . . C C11 0.8009(5) 0.0614(5) 0.1138(3) 0.0250(9) Uani d 1 . . H H11A 0.797239 0.162321 0.134229 0.038 Uiso calc 1 . . H H11B 0.712607 0.085987 0.071261 0.038 Uiso calc 1 . . H H11C 0.930165 -0.007171 0.086514 0.038 Uiso calc 1 . . C C12 0.8867(5) -0.0766(5) 0.2555(3) 0.0229(9) Uani d 1 . . H H12A 1.010620 -0.154105 0.227133 0.034 Uiso calc 1 . . H H12B 0.844151 -0.126343 0.306871 0.034 Uiso calc 1 . . H H12C 0.898209 0.019605 0.273240 0.034 Uiso calc 1 . . C C13 0.7392(5) -0.1820(4) 0.1585(3) 0.0216(8) Uani d 1 . . H H13A 0.638084 -0.152137 0.122107 0.032 Uiso calc 1 . . H H13B 0.715560 -0.245457 0.208142 0.032 Uiso calc 1 . . H H13C 0.862209 -0.246547 0.123983 0.032 Uiso calc 1 . . C C21 0.5961(6) 0.1502(5) 0.4119(3) 0.0299(10) Uani d 1 . . H H21A 0.734900 0.106729 0.398138 0.045 Uiso calc 1 . . H H21B 0.558656 0.061372 0.427490 0.045 Uiso calc 1 . . H H21C 0.552320 0.226140 0.460940 0.045 Uiso calc 1 . . C C22 0.5904(6) 0.3550(5) 0.2935(3) 0.0312(11) Uani d 1 . . H H22A 0.576068 0.432071 0.338336 0.047 Uiso calc 1 . . H H22B 0.523056 0.413800 0.245404 0.047 Uiso calc 1 . . H H22C 0.725708 0.294173 0.271683 0.047 Uiso calc 1 . . C C31 0.3097(6) 0.1447(5) 0.1057(3) 0.0265(9) Uani d 1 . . H H31A 0.227586 0.096195 0.136335 0.040 Uiso calc 1 . . H H31B 0.429052 0.059163 0.078583 0.040 Uiso calc 1 . . H H31C 0.245011 0.217668 0.060592 0.040 Uiso calc 1 . . C C32 0.1676(5) 0.3728(4) 0.2152(3) 0.0231(9) Uani d 1 . . H H32A 0.096116 0.442908 0.170905 0.035 Uiso calc 1 . . H H32B 0.197860 0.437057 0.253499 0.035 Uiso calc 1 . . H H32C 0.090581 0.323216 0.249639 0.035 Uiso calc 1 . . Au Au1 0.000000 0.500000 0.500000 0.01491(5) Uani d 1 . . Br Br2 -0.15629(5) 0.32924(5) 0.55955(3) 0.02348(9) Uani d 1 . . Br Br3 0.22769(6) 0.38839(5) 0.60137(3) 0.02456(9) Uani d 1 . . Au Au2 0.500000 0.500000 0.000000 0.01379(5) Uani d 1 . . Br Br4 0.35239(5) 0.70272(5) 0.11380(3) 0.02518(10) Uani d 1 . . Br Br5 0.81073(5) 0.45559(4) 0.03161(3) 0.02119(9) Uani d 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 P1 0.0130(4) 0.0145(4) 0.0138(5) -0.0062(4) -0.0016(4) -0.0009(4) S1 0.0158(4) 0.0154(4) 0.0232(6) -0.0069(4) -0.0008(4) 0.0012(4) Br1 0.01646(17) 0.02354(18) 0.0193(2) -0.01088(15) 0.00037(15) 0.00017(16) C1 0.0159(17) 0.0153(17) 0.018(2) -0.0055(14) -0.0022(15) 0.0009(15) C2 0.0176(18) 0.0248(19) 0.019(2) -0.0114(16) 0.0008(15) -0.0054(16) C3 0.0190(18) 0.0151(17) 0.020(2) -0.0055(15) -0.0044(16) 0.0026(15) C11 0.0207(19) 0.027(2) 0.022(2) -0.0067(17) 0.0041(17) 0.0010(18) C12 0.0144(18) 0.029(2) 0.023(2) -0.0073(16) -0.0027(16) -0.0007(18) C13 0.0199(19) 0.0196(19) 0.022(2) -0.0053(16) -0.0014(16) -0.0038(17) C21 0.023(2) 0.049(3) 0.023(3) -0.019(2) -0.0049(18) -0.007(2) C22 0.029(2) 0.028(2) 0.045(3) -0.0203(19) -0.001(2) -0.012(2) C31 0.028(2) 0.024(2) 0.026(3) -0.0051(17) -0.0150(18) -0.0004(18) C32 0.0213(19) 0.0183(18) 0.024(2) -0.0020(16) -0.0059(17) 0.0003(17) Au1 0.01684(10) 0.01425(9) 0.01507(11) -0.00780(8) -0.00204(8) -0.00133(8) Br2 0.0262(2) 0.02399(19) 0.0257(2) -0.01649(17) -0.00262(17) 0.00259(17) Br3 0.0251(2) 0.0284(2) 0.0240(2) -0.01321(17) -0.00993(17) 0.00443(17) Au2 0.00922(9) 0.01233(9) 0.01999(12) -0.00528(7) -0.00075(7) 0.00101(8) Br4 0.01812(18) 0.0244(2) 0.0315(3) -0.00830(16) 0.00282(16) -0.01051(18) Br5 0.01142(16) 0.02067(18) 0.0331(3) -0.00777(14) -0.00541(15) 0.00139(17) 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' 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' Br Br -0.2901 2.4595 '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' 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 C2 P1 C3 . . 107.86(17) ? C2 P1 C1 . . 114.96(17) ? C3 P1 C1 . . 111.42(17) ? C2 P1 S1 . . 109.57(13) ? C3 P1 S1 . . 110.03(13) ? C1 P1 S1 . . 102.89(12) ? P1 S1 Br1 . . 102.51(5) y S1 Br1 Br2 . . 174.89(3) ? C12 C1 C13 . . 108.6(3) ? C12 C1 C11 . . 109.7(3) ? C13 C1 C11 . . 109.0(3) ? C12 C1 P1 . . 109.4(3) ? C13 C1 P1 . . 111.1(2) ? C11 C1 P1 . . 109.1(2) ? C21 C2 C22 . . 112.2(3) ? C21 C2 P1 . . 115.9(3) ? C22 C2 P1 . . 110.5(3) ? C21 C2 H2 . . 105.8 ? C22 C2 H2 . . 105.8 ? P1 C2 H2 . . 105.8 ? C31 C3 C32 . . 110.6(3) ? C31 C3 P1 . . 112.5(2) ? C32 C3 P1 . . 112.9(3) ? C31 C3 H3 . . 106.8 ? C32 C3 H3 . . 106.8 ? P1 C3 H3 . . 106.8 ? C1 C11 H11A . . 109.5 ? C1 C11 H11B . . 109.5 ? H11A C11 H11B . . 109.5 ? C1 C11 H11C . . 109.5 ? H11A C11 H11C . . 109.5 ? H11B C11 H11C . . 109.5 ? C1 C12 H12A . . 109.5 ? C1 C12 H12B . . 109.5 ? H12A C12 H12B . . 109.5 ? C1 C12 H12C . . 109.5 ? H12A C12 H12C . . 109.5 ? H12B C12 H12C . . 109.5 ? C1 C13 H13A . . 109.5 ? C1 C13 H13B . . 109.5 ? H13A C13 H13B . . 109.5 ? C1 C13 H13C . . 109.5 ? H13A C13 H13C . . 109.5 ? H13B C13 H13C . . 109.5 ? C2 C21 H21A . . 109.5 ? C2 C21 H21B . . 109.5 ? H21A C21 H21B . . 109.5 ? C2 C21 H21C . . 109.5 ? H21A C21 H21C . . 109.5 ? H21B C21 H21C . . 109.5 ? C2 C22 H22A . . 109.5 ? C2 C22 H22B . . 109.5 ? H22A C22 H22B . . 109.5 ? C2 C22 H22C . . 109.5 ? H22A C22 H22C . . 109.5 ? H22B C22 H22C . . 109.5 ? C3 C31 H31A . . 109.5 ? C3 C31 H31B . . 109.5 ? H31A C31 H31B . . 109.5 ? C3 C31 H31C . . 109.5 ? H31A C31 H31C . . 109.5 ? H31B C31 H31C . . 109.5 ? C3 C32 H32A . . 109.5 ? C3 C32 H32B . . 109.5 ? H32A C32 H32B . . 109.5 ? C3 C32 H32C . . 109.5 ? H32A C32 H32C . . 109.5 ? H32B C32 H32C . . 109.5 ? Br3 Au1 Br3 . 2_566 180.0 ? Br3 Au1 Br2 . . 90.373(15) ? Br3 Au1 Br2 2_566 . 89.628(15) ? Br3 Au1 Br2 . 2_566 89.627(15) ? Br3 Au1 Br2 2_566 2_566 90.372(15) ? Br2 Au1 Br2 . 2_566 180.000(11) ? Au1 Br2 Br1 . . 78.058(13) ? Br4 Au2 Br4 . 2_665 180.0 ? Br4 Au2 Br5 . 2_665 90.027(15) ? Br4 Au2 Br5 2_665 2_665 89.972(15) ? Br4 Au2 Br5 . . 89.972(15) ? Br4 Au2 Br5 2_665 . 90.029(15) ? Br5 Au2 Br5 2_665 . 180.0 ? 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 P1 C2 . 1.827(4) ? P1 C3 . 1.830(4) ? P1 C1 . 1.862(4) ? P1 S1 . 2.0902(12) y S1 Br1 . 2.2028(10) y Br1 Br2 . 3.2874(6) ? C1 C12 . 1.527(5) ? C1 C13 . 1.539(5) ? C1 C11 . 1.542(5) ? C2 C21 . 1.522(6) ? C2 C22 . 1.535(5) ? C2 H2 . 1.0000 ? C3 C31 . 1.532(5) ? C3 C32 . 1.533(5) ? C3 H3 . 1.0000 ? C11 H11A . 0.9800 ? C11 H11B . 0.9800 ? C11 H11C . 0.9800 ? C12 H12A . 0.9800 ? C12 H12B . 0.9800 ? C12 H12C . 0.9800 ? C13 H13A . 0.9800 ? C13 H13B . 0.9800 ? C13 H13C . 0.9800 ? C21 H21A . 0.9800 ? C21 H21B . 0.9800 ? C21 H21C . 0.9800 ? C22 H22A . 0.9800 ? C22 H22B . 0.9800 ? C22 H22C . 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 ? Au1 Br3 . 2.4180(4) y Au1 Br3 2_566 2.4181(4) ? Au1 Br2 . 2.4287(4) y Au1 Br2 2_566 2.4287(4) ? Au2 Br4 . 2.4154(4) y Au2 Br4 2_665 2.4154(4) ? Au2 Br5 2_665 2.4199(4) ? Au2 Br5 . 2.4199(4) y 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 _geom_hbond_publ_flag C13 H13B S1 . 0.98 2.66 3.095(4) 107.0 yes C2 H2 Br1 . 1.00 2.99 3.459(4) 110.1 yes C3 H3 Au2 . 1.00 2.89 3.828(4) 156.1 yes C32 H32C Br1 . 0.98 3.01 3.739(4) 132.3 yes C21 H21C Br3 . 0.98 2.98 3.814(4) 143.2 yes C11 H11A Br5 . 0.98 3.07 3.778(4) 130.3 yes C2 H2 Br2 2_566 1.00 3.28 4.017(4) 132.0 yes C22 H22A Br3 2_666 0.98 2.95 3.771(4) 141.8 yes C12 H12B Br3 2_656 0.98 2.93 3.832(4) 153.6 yes C13 H13B Br3 2_656 0.98 3.18 4.075(4) 152.3 yes C12 H12A Br4 1_645 0.98 2.80 3.747(4) 162.9 yes C13 H13A Br4 1_545 0.98 3.07 3.776(4) 129.9 yes 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 C2 P1 S1 Br1 . . . . 39.31(14) ? C3 P1 S1 Br1 . . . . -79.12(14) ? C1 P1 S1 Br1 . . . . 162.05(13) y C2 P1 C1 C12 . . . . 31.6(3) ? C3 P1 C1 C12 . . . . 154.7(2) ? S1 P1 C1 C12 . . . . -87.5(2) ? C2 P1 C1 C13 . . . . 151.5(3) ? C3 P1 C1 C13 . . . . -85.4(3) ? S1 P1 C1 C13 . . . . 32.4(3) ? C2 P1 C1 C11 . . . . -88.4(3) ? C3 P1 C1 C11 . . . . 34.7(3) ? S1 P1 C1 C11 . . . . 152.6(2) ? C3 P1 C2 C21 . . . . 169.8(3) ? C1 P1 C2 C21 . . . . -65.3(3) ? S1 P1 C2 C21 . . . . 50.0(3) ? C3 P1 C2 C22 . . . . -61.2(3) ? C1 P1 C2 C22 . . . . 63.8(3) ? S1 P1 C2 C22 . . . . 179.0(2) ? C2 P1 C3 C31 . . . . -169.6(3) ? C1 P1 C3 C31 . . . . 63.3(3) ? S1 P1 C3 C31 . . . . -50.1(3) ? C2 P1 C3 C32 . . . . -43.6(3) ? C1 P1 C3 C32 . . . . -170.6(3) ? S1 P1 C3 C32 . . . . 75.9(3) ?