#------------------------------------------------------------------------------ #$Date: 2024-03-13 04:12:50 +0100 (Wed, 13 Mar 2024) $ #$Revision: 290478 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/30/2023055.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_2023055 loop_ _publ_author_name 'Upmann, Daniel' 'Bockfeld, Dirk' 'Jones, Peter G.' 'T\^arcoveanu, Eliza' _publ_section_title ; Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide ; _journal_coeditor_code YZ2051 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989024002032 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac '[Au Cl3 (C12 H27 P S)], C H2 Cl2' _chemical_formula_moiety 'C12 H27 Au Cl3 P S, C H2 Cl2' _chemical_formula_sum 'C13 H29 Au Cl5 P S' _chemical_formula_weight 622.61 _chemical_name_systematic ; Trichlorido(tri-tert-butylphosphane sulfide-\kS)gold(III) dichloromethane monosolvate ; _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 98.398(3) _cell_angle_beta 101.174(3) _cell_angle_gamma 95.991(3) _cell_formula_units_Z 2 _cell_length_a 8.4202(3) _cell_length_b 11.2194(4) _cell_length_c 11.8355(4) _cell_measurement_reflns_used 47731 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 30.6240 _cell_measurement_theta_min 2.7670 _cell_volume 1074.95(7) _computing_cell_refinement ; CrysAlisPro, Version 1.171.38.43 (Rigaku OD, 2020) ; _computing_data_collection ; CrysAlisPro, Version 1.171.38.43 (Rigaku OD, 2020) ; _computing_data_reduction ; CrysAlisPro, Version 1.171.38.43 (Rigaku OD, 2020) ; _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 0.993 _diffrn_measured_fraction_theta_max 0.947 _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 0.0544 _diffrn_reflns_av_unetI/netI 0.0232 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 157605 _diffrn_reflns_theta_full 30.000 _diffrn_reflns_theta_max 31.123 _diffrn_reflns_theta_min 2.340 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 7.628 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.78272 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2020) ; _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.924 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 604 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _refine_diff_density_max 1.760 _refine_diff_density_min -1.012 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 199 _refine_ls_number_reflns 6558 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.054 _refine_ls_R_factor_all 0.0245 _refine_ls_R_factor_gt 0.0205 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0147P)^2^+0.9642P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0364 _refine_ls_wR_factor_ref 0.0373 _reflns_number_gt 6124 _reflns_number_total 6558 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yz2051.cif _cod_data_source_block 12a _cod_database_code 2023055 _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 0.394 _shelx_estimated_absorpt_t_max 0.516 _shelx_hkl_file ; -12 2 0 9210.72 1769.26 -12 2 0 11751.8 1933.75 -12 3 0 18909.6 2499.21 -12 3 0 18129.2 2416.94 -12 3 0 16029.2 2306.71 -12 3 0 12041.3 2017.31 -12 3 0 19044.9 2498.89 -11 -5 2 11738.6 2036.25 -11 -5 4 13527.2 2319.74 -11 -5 5 7075.40 1734.37 -11 -4 2 8589.23 1730.39 -11 -4 3 11929.0 2105.65 -11 -4 3 8576.04 1766.03 -11 -4 4 1741.18 1273.81 -11 -4 5 6670.03 1677.27 -11 -4 6 742.163 970.909 -11 -4 7 12227.2 2209.69 -11 -4 8 15760.8 2415.45 -11 -3 -1 8534.70 1701.15 -11 -3 -1 7826.25 1652.04 -11 -3 -1 10295.6 1898.47 -11 -3 -1 8317.75 1704.01 -11 -3 -1 8379.66 1668.32 -11 -3 -1 6570.86 1532.66 -11 -3 -1 6153.46 1553.76 -11 -3 -1 7516.45 1612.92 -11 -3 -1 8682.06 1764.38 -11 -3 -1 10825.3 1911.45 -11 -3 0 9240.49 1826.20 -11 -3 0 6514.23 1492.06 -11 -3 0 5739.48 1467.69 -11 -3 0 7296.63 1634.98 -11 -3 0 9040.72 1811.77 -11 -3 0 9655.65 1831.38 -11 -3 0 9042.42 1719.01 -11 -3 0 6174.59 1527.55 -11 -3 0 8396.01 1755.71 -11 -3 0 4582.26 1286.45 -11 -3 1 12156.7 2051.99 -11 -3 1 13668.9 2149.37 -11 -3 1 10431.3 1864.25 -11 -3 1 10349.8 1908.52 -11 -3 1 12177.1 2059.04 -11 -3 1 12689.3 2078.15 -11 -3 1 10805.5 1949.32 -11 -3 1 9982.28 1898.43 -11 -3 1 13077.3 2137.65 -11 -3 1 7768.81 1698.41 -11 -3 1 12717.6 2121.99 -11 -3 2 2001.14 1008.69 -11 -3 2 473.284 704.897 -11 -3 2 1308.59 900.850 -11 -3 2 2149.73 1278.73 -11 -3 2 1117.59 843.170 -11 -3 2 2821.96 1148.86 -11 -3 2 2263.77 1083.40 -11 -3 3 5196.07 1390.87 -11 -3 3 4479.61 1466.51 -11 -3 4-246.443 874.105 -11 -3 4-156.760 738.286 -11 -3 5 8415.30 1885.33 -11 -3 5 8562.43 1812.64 -11 -3 6 13113.2 2318.01 -11 -3 6 14640.9 2270.42 -11 -3 7 1968.78 1192.70 -11 -3 7 2936.46 1073.79 -11 -3 8 30554.0 3517.68 -11 -2 -1 21484.2 2615.20 -11 -2 -1 16451.8 2298.74 -11 -2 -1 17394.8 2357.50 -11 -2 -1 21924.5 2642.76 -11 -2 -1 17258.0 2509.00 -11 -2 -1 16201.8 2284.80 -11 -2 -1 17087.1 2303.68 -11 -2 -1 19579.9 2521.63 -11 -2 -1 18887.7 2440.71 -11 -2 -1 14377.9 2153.26 -11 -2 -1 16485.7 2308.29 -11 -2 0 859.202 599.123 -11 -2 0 1620.28 948.896 -11 -2 0 1056.44 746.257 -11 -2 0 849.897 807.877 -11 -2 0 1473.76 821.036 -11 -2 0 848.153 714.232 -11 -2 0 1200.42 900.429 -11 -2 0 660.303 687.380 -11 -2 0 1968.12 1060.85 -11 -2 0 388.504 709.075 -11 -2 0 376.981 779.171 -11 -2 1 7397.98 1650.13 -11 -2 1 5199.27 1379.97 -11 -2 1 4762.61 1331.41 -11 -2 1 3071.28 1130.03 -11 -2 1 4716.30 1363.62 -11 -2 1 5717.75 1631.26 -11 -2 1 4529.67 1395.37 -11 -2 1 5488.26 1389.33 -11 -2 1 6423.68 1540.16 -11 -2 1 3281.32 1044.53 -11 -2 1 5203.50 1459.21 -11 -2 1 2994.68 1128.80 -11 -2 1 3795.71 1217.23 -11 -2 1 2707.65 1158.99 -11 -2 2 6566.12 1531.86 -11 -2 2 6641.22 1568.86 -11 -2 2 5549.32 1345.39 -11 -2 2 6016.34 1448.36 -11 -2 2 3693.53 1162.09 -11 -2 2 5889.19 1595.50 -11 -2 2 2649.69 1064.23 -11 -2 2 6939.63 1502.71 -11 -2 2 7727.77 1645.82 -11 -2 2 6176.65 1494.89 -11 -2 2 4488.60 1308.77 -11 -2 2 4977.10 1448.73 -11 -2 2 3069.86 1088.26 -11 -2 2 5175.59 1360.74 -11 -2 3-35.3417 740.952 -11 -2 3 678.659 751.997 -11 -2 3 1651.07 1009.35 -11 -2 3 551.472 690.808 -11 -2 3 1992.69 1096.19 -11 -2 3 627.121 682.663 -11 -2 3 1150.09 878.499 -11 -2 3 1583.87 1037.04 -11 -2 3 834.449 764.667 -11 -2 3-333.782 688.045 -11 -2 3 569.523 785.391 -11 -2 3 4389.75 1259.07 -11 -2 4 2799.12 1182.89 -11 -2 4 7321.71 1632.12 -11 -2 4 6570.64 1625.49 -11 -2 4 4767.45 1397.82 -11 -2 4 6837.57 1617.32 -11 -2 4 5980.03 1555.46 -11 -2 4 6038.37 1533.66 -11 -2 4 10720.4 1910.83 -11 -2 4 7340.21 1689.30 -11 -2 4 7971.63 1729.57 -11 -2 4 3030.31 1074.61 -11 -2 5 333.538 687.912 -11 -2 5-909.395 885.666 -11 -2 5 1060.07 742.693 -11 -2 6 12194.6 2055.39 -11 -2 6 11820.8 2202.39 -11 -2 7 9495.40 1773.18 -11 -2 7 12028.3 2268.61 -11 -2 8 2962.83 1171.17 -11 -1 -3 4745.95 1298.26 -11 -1 -2 8076.32 1830.48 -11 -1 -2 8155.12 1632.13 -11 -1 -1 3524.99 1116.88 -11 -1 -1 3527.86 1229.87 -11 -1 -1 3785.66 1225.37 -11 -1 -1 6121.00 1411.11 -11 -1 -1 4196.93 1375.99 -11 -1 -1 5772.14 1374.65 -11 -1 -1 6161.71 1402.35 -11 -1 -1 1630.15 781.406 -11 -1 -1 5626.86 1449.17 -11 -1 -1 5512.47 1425.40 -11 -1 -1 4045.92 1197.37 -11 -1 -1 4976.17 1265.89 -11 -1 -1 3266.99 1091.48 -11 -1 0 20607.6 2582.49 -11 -1 0 27942.9 2979.93 -11 -1 0 27918.2 2968.64 -11 -1 0 25183.3 2745.14 -11 -1 0 24642.2 2969.20 -11 -1 0 26457.5 2906.64 -11 -1 0 36726.1 3366.12 -11 -1 0 27325.2 3115.18 -11 -1 0 37036.2 3384.08 -11 -1 0 24218.6 2828.39 -11 -1 0 22301.2 2671.20 -11 -1 0 22277.5 2672.52 -11 -1 0 26047.5 2943.16 -11 -1 0 21714.1 2616.13 -11 -1 1-121.100 558.256 -11 -1 1 167.039 626.661 -11 -1 1 1309.02 863.908 -11 -1 1 95.8844 555.618 -11 -1 1 362.485 952.693 -11 -1 1-77.6622 634.299 -11 -1 1 127.292 637.802 -11 -1 1-466.090 713.670 -11 -1 1 1477.23 1178.00 -11 -1 1-240.321 630.539 -11 -1 1 1234.30 722.391 -11 -1 1 408.186 738.803 -11 -1 1 877.543 900.359 -11 -1 2 17219.4 2498.13 -11 -1 2 22413.0 2718.34 -11 -1 2 17892.9 2546.66 -11 -1 2 20500.4 2624.64 -11 -1 2 20649.7 2601.37 -11 -1 2 17541.7 2380.64 -11 -1 2 19342.6 2510.67 -11 -1 2 21745.2 2974.58 -11 -1 2 18346.2 2431.85 -11 -1 2 18991.1 2527.78 -11 -1 2 23264.9 2767.26 -11 -1 2 24848.2 2874.09 -11 -1 2 19181.3 2520.44 -11 -1 3 7694.89 1707.65 -11 -1 3 10384.9 2007.74 -11 -1 3 6268.62 1481.24 -11 -1 3 11136.8 1978.98 -11 -1 3 9790.72 1817.95 -11 -1 3 9113.67 1842.06 -11 -1 3 5566.50 1400.41 -11 -1 3 8279.21 1673.12 -11 -1 3 7541.68 1669.63 -11 -1 3 8877.45 1740.56 -11 -1 3 5397.19 1443.32 -11 -1 3 11188.8 1995.78 -11 -1 3 10251.6 1883.59 -11 -1 4 2494.93 1067.00 -11 -1 4 3850.49 1202.08 -11 -1 4 3598.84 1183.85 -11 -1 4 3487.91 1211.36 -11 -1 4 3937.85 1241.85 -11 -1 4 4740.39 1390.58 -11 -1 4 4740.26 1381.74 -11 -1 4 5303.18 1481.51 -11 -1 4 3634.38 1229.15 -11 -1 4 4885.55 1316.71 -11 -1 4 3786.80 1207.97 -11 -1 4 3327.85 1298.08 -11 -1 4 3215.86 1031.35 -11 -1 5 22328.4 2756.45 -11 -1 5 24510.6 2924.25 -11 -1 5 22261.8 2821.77 -11 -1 5 23409.1 3070.21 -11 -1 5 24530.7 2906.70 -11 -1 5 23207.4 2839.86 -11 -1 5 20665.4 2681.00 -11 -1 5 19735.1 2626.93 -11 -1 5 18050.8 2457.35 -11 -1 5 21839.4 2722.19 -11 -1 5 16192.5 2420.40 -11 -1 5 23100.4 2881.18 -11 -1 5 25543.5 2942.71 -11 -1 5 22160.8 2812.39 -11 -1 6 695.282 867.555 -11 -1 6 844.892 789.852 -11 -1 6 93.5943 712.626 -11 -1 7 17364.5 2347.40 -11 -1 7 18461.5 2729.62 -11 -1 8 5277.24 1490.31 -11 0 -3 834.974 660.181 -11 0 -3-479.680 750.868 -11 0 -2 23252.7 2879.89 -11 0 -2 29349.5 3195.92 -11 0 -1 5444.18 1349.72 -11 0 -1 7260.30 1538.34 -11 0 -1 7950.42 1574.30 -11 0 -1 6459.42 1488.17 -11 0 -1 7158.52 1475.44 -11 0 -1 6724.68 1566.68 -11 0 -1 7129.53 1534.33 -11 0 -1 5459.15 1346.05 -11 0 -1 5216.08 1359.08 -11 0 -1 6356.96 1593.01 -11 0 -1 6339.76 1431.44 -11 0 -1 7282.21 1544.05 -11 0 0 10524.0 2146.96 -11 0 0 8901.86 1704.26 -11 0 0 9397.52 1816.51 -11 0 0 11997.9 1901.81 -11 0 0 11333.7 1865.05 -11 0 0 9387.92 1833.02 -11 0 0 11851.9 2037.83 -11 0 0 11097.4 1859.15 -11 0 0 13431.9 2001.80 -11 0 0 13849.0 2032.85 -11 0 0 10623.8 1827.75 -11 0 0 11090.9 1847.87 -11 0 0 12759.0 2059.46 -11 0 1 6924.63 1651.71 -11 0 1 5512.25 1379.59 -11 0 1 6619.16 1638.68 -11 0 1 7339.29 1614.65 -11 0 1 9311.98 1760.80 -11 0 1 8732.73 1706.14 -11 0 1 5981.30 1457.31 -11 0 1 7255.97 1557.54 -11 0 1 7140.23 1566.67 -11 0 1 7767.06 1672.95 -11 0 1 4654.51 1413.18 -11 0 1 6647.32 1527.85 -11 0 1 6214.06 1482.83 -11 0 1 6098.79 1390.25 -11 0 2 1734.52 983.739 -11 0 2-48.7166 730.689 -11 0 2 1275.99 860.044 -11 0 2 502.615 745.716 -11 0 2 536.559 675.249 -11 0 2 2163.29 1018.96 -11 0 2 2038.41 848.779 -11 0 2 3129.85 1198.96 -11 0 2 1186.92 815.094 -11 0 2 4555.36 1369.68 -11 0 2 2304.97 1037.25 -11 0 2 2185.46 1067.90 -11 0 2 3524.05 1444.15 -11 0 3 9772.99 1859.09 -11 0 3 11471.0 1976.79 -11 0 3 11378.3 1938.97 -11 0 3 12972.8 2090.28 -11 0 3 13935.6 2170.20 -11 0 3 12153.9 2073.53 -11 0 3 11905.8 2056.90 -11 0 3 12632.4 1969.44 -11 0 3 12332.9 2104.36 -11 0 3 12517.1 2096.83 -11 0 3 9800.53 2003.51 -11 0 3 15103.0 2228.06 -11 0 3 11948.7 2004.53 -11 0 3 14905.6 2307.40 -11 0 4 1226.09 853.681 -11 0 4 1468.53 909.193 -11 0 4 1741.17 849.923 -11 0 4 2638.52 1117.84 -11 0 4 583.240 731.848 -11 0 4 1475.63 923.830 -11 0 4-661.862 853.052 -11 0 4 615.034 838.682 -11 0 4 2858.62 1174.79 -11 0 4 813.545 680.549 -11 0 4 380.081 696.246 -11 0 4 1131.31 985.448 -11 0 4 1090.07 897.196 -11 0 4 587.078 729.785 -11 0 5 20514.6 2576.51 -11 0 5 24684.1 2910.70 -11 0 5 19171.7 2778.23 -11 0 5 17604.4 2516.03 -11 0 5 18918.1 2548.28 -11 0 5 15247.4 2304.37 -11 0 5 21131.7 2693.92 -11 0 5 27657.9 3043.65 -11 0 5 18477.6 2555.40 -11 0 5 20108.4 2668.99 -11 0 5 21328.3 2735.99 -11 0 5 14749.6 2285.35 -11 0 5 17149.5 2473.93 -11 0 5 18296.9 2607.06 -11 0 6 17450.6 2700.07 -11 0 6 15476.4 2357.44 -11 0 6 17029.9 2479.88 -11 0 6 14971.4 2299.41 -11 0 6 15035.2 2263.73 -11 0 6 15844.0 2334.20 -11 0 6 15929.6 2381.86 -11 0 6 13043.3 2033.58 -11 0 6 16131.9 2352.68 -11 0 6 17033.7 2431.38 -11 0 6 23244.0 2817.29 -11 0 6 20234.6 2702.35 -11 0 6 14747.6 2260.83 -11 0 7 2858.43 1052.10 -11 0 7 8020.43 1927.33 -11 1 -3 771.860 609.488 -11 1 -3 2146.39 1073.64 -11 1 -2 2500.84 1037.74 -11 1 -2 1652.51 928.575 -11 1 -1 3559.78 1115.52 -11 1 -1 3371.81 1100.32 -11 1 -1 2641.85 1053.92 -11 1 -1 2769.16 1024.83 -11 1 -1 5032.17 1275.34 -11 1 -1 4601.86 1241.41 -11 1 -1 4636.86 1207.64 -11 1 -1 3105.60 1041.86 -11 1 -1 2938.10 902.795 -11 1 -1 750.888 717.477 -11 1 0 260.389 698.172 -11 1 0 854.972 721.700 -11 1 0 1343.70 739.785 -11 1 0 2725.50 1004.80 -11 1 0 1011.23 733.812 -11 1 0 2145.19 992.644 -11 1 0 1814.20 824.249 -11 1 0 1812.43 1064.83 -11 1 0-439.695 845.099 -11 1 0 542.092 692.062 -11 1 0 920.665 742.798 -11 1 0 605.978 897.044 -11 1 0 85.4151 547.476 -11 1 1 7126.28 1524.00 -11 1 1 9338.13 1765.09 -11 1 1 6351.74 1443.01 -11 1 1 7071.94 1561.82 -11 1 1 9101.00 1683.73 -11 1 1 8135.86 1608.25 -11 1 1 8663.38 1667.32 -11 1 1 10080.9 1926.77 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4216.23 1160.27 1 11 -7 20145.8 2213.21 1 11 -7 23883.1 2450.14 1 11 -7 19280.1 2089.45 1 11 -7 21384.4 2218.09 1 11 -7 19385.7 2087.08 1 11 -7 20556.4 2178.95 1 11 -7 17431.2 2005.51 1 11 -7 15965.0 2155.53 1 11 -7 20484.7 2159.85 1 11 -7 19407.4 2326.30 1 11 -7 21199.4 2155.17 1 11 -7 21646.6 2626.42 1 11 -7 28287.9 2475.25 1 11 -7 24317.5 2319.30 1 11 -7 25710.3 2408.64 1 11 -7 20531.7 2323.98 1 11 -7 19683.4 2310.69 1 11 -6 13382.2 1867.01 1 11 -6 15527.6 1873.03 1 11 -6 12269.3 1657.81 1 11 -6 14007.0 1792.43 1 11 -6 13598.9 1772.59 1 11 -6 14857.8 1828.59 1 11 -6 13913.0 1923.29 1 11 -6 13102.1 1926.29 1 11 -6 14561.1 1812.84 1 11 -6 17266.6 1966.77 1 11 -6 17697.8 2276.98 1 11 -6 16488.3 1934.73 1 11 -6 11436.7 1635.38 1 11 -6 14100.0 1830.72 1 11 -6 15921.6 1914.89 1 11 -6 12132.7 1798.07 1 11 -5 226.285 539.476 1 11 -5-345.095 545.461 1 11 -5 364.719 656.015 1 11 -5-301.357 635.004 1 11 -5 819.617 635.980 1 11 -5 33.1091 709.008 1 11 -5 543.089 625.981 1 11 -5-7.44361 619.404 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2935.60 1 11 -2 38894.8 3105.61 1 11 -2 39362.2 3095.61 1 11 -2 33374.3 2872.99 1 11 -2 30545.6 2341.02 1 11 -2 31320.4 2925.21 1 11 -2 34677.8 2961.62 1 11 -2 29020.8 2780.00 1 11 -2 35623.3 2972.25 1 11 -2 40947.5 3258.43 1 11 -2 36288.9 3099.17 1 11 -2 32215.4 2951.12 1 11 -1 55498.8 3863.34 1 11 -1 50143.7 3684.75 1 11 -1 53489.0 3879.91 1 11 -1 55422.0 3880.33 1 11 -1 54430.5 3829.97 1 11 -1 50512.3 3729.54 1 11 -1 55890.7 3224.61 1 11 -1 50109.4 3697.87 1 11 -1 56058.8 3961.19 1 11 -1 60203.6 4041.19 1 11 -1 51740.9 3740.64 1 11 -1 52135.2 3793.93 1 11 -1 51711.8 3760.30 1 11 -1 64619.5 4146.36 1 11 -1 58963.3 4019.40 1 11 0 1547.79 826.917 1 11 0 2668.77 933.630 1 11 0 2355.67 879.770 1 11 0 2424.86 1027.89 1 11 0 2188.80 915.200 1 11 0 3092.00 1021.56 1 11 0 1238.65 888.718 1 11 0 1926.90 647.096 1 11 0 1265.25 671.196 1 11 0 3134.52 1048.65 1 11 0 2069.79 931.960 1 11 0 1079.05 818.459 1 11 0 1186.00 686.165 1 11 0 2097.71 849.339 1 11 0 3310.10 1113.98 1 11 1 53104.3 3810.87 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15027.9 2029.14 1 11 3 17050.3 2189.76 1 11 3 14075.2 1950.61 1 11 4 10028.8 1721.72 1 11 4 11950.4 1901.79 1 11 4 14133.9 1949.05 1 11 4 8544.61 1631.90 1 11 4 9009.63 1680.75 1 11 4 8835.42 1614.27 1 11 4 8285.49 1598.52 1 11 4 10381.9 1741.93 1 11 4 10099.6 1773.21 1 11 4 12803.1 1883.45 1 11 4 11082.4 1777.30 1 11 4 8182.46 1534.89 1 11 4 10242.9 1758.98 1 11 4 12107.9 1789.89 1 11 5 2704.16 1002.58 1 11 5 330.266 678.177 1 11 5 972.114 720.736 1 11 5 2999.23 1185.11 1 11 5 2707.80 1146.90 1 11 5 366.158 622.076 1 11 5 2005.14 940.807 1 11 5 4101.12 1150.62 1 11 5 2194.40 966.959 1 11 5 3136.03 1061.99 1 11 5 849.153 841.460 1 11 5 2266.57 938.818 1 11 5 1631.18 892.606 1 11 5 1140.42 753.221 1 11 5 2105.10 904.699 1 11 5 1736.81 851.782 1 11 6 14087.0 2104.03 1 11 6 16810.2 2328.46 1 11 6 19547.5 2471.23 1 11 6 18161.0 2375.57 1 11 6 13995.5 1966.05 1 11 6 16198.4 2236.29 1 11 6 17369.6 2341.71 1 11 6 14780.1 2130.95 1 11 6 13646.7 2152.56 1 11 6 10497.7 1884.55 1 11 6 12462.7 1940.36 1 11 6 15419.4 2210.16 1 11 6 16386.4 2173.23 1 11 6 17745.5 2322.82 1 11 6 16621.4 2108.35 1 11 7 2944.87 1108.59 1 11 7 4773.00 1327.59 1 11 7 2546.41 946.170 1 11 7 2602.27 903.590 1 11 7 2446.35 1036.81 1 11 7 5149.44 1307.39 1 11 7 3512.47 1113.35 1 11 7 2144.89 996.385 1 11 7 1580.99 979.153 1 11 7 2478.25 910.895 1 11 7 4955.94 1347.57 1 11 7 3924.93 1266.89 1 11 7 2086.22 1026.40 1 11 7 2677.16 932.044 1 11 7 2648.89 860.958 1 11 8 9545.04 1797.21 1 11 8 10974.1 1871.11 1 11 8 10611.6 1887.21 1 11 8 13374.2 2058.09 1 11 8 10535.9 1834.94 1 11 8 11351.1 1944.28 1 11 8 11759.6 1962.72 1 11 8 11928.1 1959.53 1 11 8 8423.48 1795.56 1 11 8 12410.0 2053.31 1 11 8 11883.6 1960.22 1 11 8 9746.53 1773.50 1 11 9 16311.8 2299.15 1 11 9 18160.7 2448.33 1 11 9 17424.0 2421.70 1 11 9 13820.6 2166.71 1 11 9 17463.0 2412.33 1 11 9 15978.6 2304.21 1 11 9 18041.3 2427.82 1 11 9 14810.3 2263.78 1 11 9 19440.2 2515.01 1 12 -12 255.040 643.057 1 12 -11 23009.4 2629.87 1 12 -11 25046.1 2931.70 1 12 -11 20839.6 2499.44 1 12 -11 23303.9 2997.33 1 12 -11 21325.8 2493.17 1 12 -10 13524.7 1963.77 1 12 -10 15525.9 2229.61 1 12 -10 12296.0 2073.30 1 12 -10 21912.3 2845.32 1 12 -10 14851.1 2105.24 1 12 -10 14774.7 2094.96 1 12 -9 893.371 726.392 1 12 -9 2191.68 860.548 1 12 -9 1338.58 858.019 1 12 -9 911.488 947.769 1 12 -9 2214.93 1108.88 1 12 -9-478.581 814.921 1 12 -8 20090.5 2189.56 1 12 -8 18990.8 2152.34 1 12 -8 14588.0 1903.05 1 12 -8 13072.5 1792.31 1 12 -8 15043.3 1935.48 1 12 -8 19127.1 2183.58 1 12 -8 17505.5 2393.92 1 12 -8 19225.5 2174.13 1 12 -8 18228.9 2081.59 1 12 -8 16822.8 2168.15 1 12 -8 21933.3 2722.73 1 12 -8 19568.6 2168.64 1 12 -8 16240.1 2237.41 1 12 -8 18278.0 2370.25 1 12 -8 17354.0 2245.27 1 12 -7 2217.57 942.917 1 12 -7 2104.85 852.553 1 12 -7 1517.02 767.442 1 12 -7 558.441 629.162 1 12 -7 1115.14 676.161 1 12 -7 2709.43 956.742 1 12 -7 790.976 661.537 1 12 -7 3996.11 1256.17 1 12 -7 3197.12 961.664 1 12 -7 2714.37 830.802 1 12 -7 1226.73 832.132 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873.815 1 12 -4-1044.38 762.080 1 12 -4 1001.15 766.309 1 12 -4 518.465 802.179 1 12 -4 1208.66 908.973 1 12 -4 2199.43 989.525 1 12 -4 411.625 793.017 1 12 -4-374.481 838.540 1 12 -4 202.778 595.238 1 12 -3 13515.3 1947.73 1 12 -3 11025.8 1780.52 1 12 -3 10707.6 1713.11 1 12 -3 10568.8 1727.77 1 12 -3 10350.3 1721.49 1 12 -3 13399.4 1973.74 1 12 -3 12397.3 1830.42 1 12 -3 12688.3 1865.78 1 12 -3 11100.7 1718.95 1 12 -3 11357.0 1877.96 1 12 -3 12938.6 2004.97 1 12 -3 13436.7 1928.11 1 12 -3 14799.1 1980.82 1 12 -3 13047.9 1947.95 1 12 -3 12404.8 1926.82 1 12 -2 11532.2 1830.37 1 12 -2 10065.5 1792.13 1 12 -2 10801.5 1778.40 1 12 -2 9604.20 1699.37 1 12 -2 12354.1 1874.25 1 12 -2 13856.7 2051.41 1 12 -2 16449.6 2138.67 1 12 -2 11313.8 1844.95 1 12 -2 11862.4 1822.33 1 12 -2 11831.3 1868.79 1 12 -2 5607.91 1430.70 1 12 -2 9375.06 1720.95 1 12 -2 9778.22 1718.75 1 12 -2 11119.2 1794.90 1 12 -1 33165.1 3092.63 1 12 -1 27834.7 2833.92 1 12 -1 26357.3 2802.61 1 12 -1 37579.0 3300.92 1 12 -1 26360.4 2776.05 1 12 -1 30005.7 2952.07 1 12 -1 35069.5 3119.35 1 12 -1 25684.8 2738.05 1 12 -1 35053.8 3192.87 1 12 -1 29909.5 2957.32 1 12 -1 34420.3 3086.64 1 12 -1 36657.0 3189.23 1 12 -1 34084.8 3112.39 1 12 -1 33361.7 3108.73 1 12 0 51388.7 3904.72 1 12 0 42811.6 3607.27 1 12 0 47905.2 3811.33 1 12 0 50642.3 3882.42 1 12 0 45193.2 3686.51 1 12 0 49678.2 3846.54 1 12 0 49563.1 3818.88 1 12 0 44180.7 3671.12 1 12 0 49563.9 3812.22 1 12 0 46524.9 3724.49 1 12 0 47563.4 3805.72 1 12 0 53008.1 3966.21 1 12 0 45389.4 3703.30 1 12 0 48590.1 3812.80 1 12 1 3627.09 1182.87 1 12 1 5658.71 1388.62 1 12 1 2015.44 1030.56 1 12 1 4059.14 1072.54 1 12 1 3199.60 1100.56 1 12 1 4218.08 1198.05 1 12 1 3462.06 1224.08 1 12 1 7044.76 1524.70 1 12 1 2488.43 1098.18 1 12 1 3829.66 1164.72 1 12 1 5575.56 1389.74 1 12 1 3987.62 1221.09 1 12 1 3656.40 1081.57 1 12 1 2453.29 943.334 1 12 1 4999.30 1320.04 1 12 2 35312.8 3405.61 1 12 2 50209.1 3914.01 1 12 2 44034.5 3727.25 1 12 2 39191.8 3491.01 1 12 2 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2 0 -8 735.909 530.842 2 0 -8 538.351 441.462 2 0 -8 929.734 420.325 2 0 -8 1857.01 474.251 2 0 -7 28438.4 1596.22 2 0 -7 31403.8 1791.08 2 0 -7 30726.4 1940.75 2 0 -7 28775.7 1709.53 2 0 -7 28472.5 1703.80 2 0 -7 33709.6 1895.53 2 0 -7 30266.4 1746.53 2 0 -7 26432.5 1431.04 2 0 -7 28785.2 1724.05 2 0 -7 27931.8 1705.54 2 0 -7 32344.6 1978.88 2 0 -7 28067.6 1700.67 2 0 -7 26870.6 1804.91 2 0 -7 29468.4 2101.32 2 0 -7 27583.6 1689.41 2 0 -7 27883.2 1705.37 2 0 -7 27154.0 1682.58 2 0 -6 13311.8 1006.57 2 0 -6 15414.5 1270.79 2 0 -6 14826.1 1159.92 2 0 -6 14512.8 1145.05 2 0 -6 13834.8 1089.25 2 0 -6 13381.3 1098.53 2 0 -6 14307.0 926.472 2 0 -6 14552.2 1160.44 2 0 -6 11481.8 1037.01 2 0 -6 15780.7 1162.16 2 0 -6 14778.5 1138.85 2 0 -6 12019.3 1060.10 2 0 -6 15014.7 1418.52 2 0 -6 13657.0 1110.34 2 0 -6 13998.4 1203.33 2 0 -6 17743.1 1364.43 2 0 -5 179128. 5911.36 2 0 -5 180931. 5296.39 2 0 -5 180097. 6044.94 2 0 -5 184585. 6088.18 2 0 -5 194986. 6118.08 2 0 -5 179996. 6049.47 2 0 -5 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2012.84 2 0 -1 48430.0 1991.37 2 0 -1 48992.2 1788.86 2 0 -1 47837.6 1975.86 2 0 -1 48607.9 1989.05 2 0 -1 49701.4 1993.76 2 0 -1 47231.6 2034.99 2 0 -1 51252.9 1998.38 2 0 -1 47574.1 1965.40 2 0 -1 47947.1 1933.26 2 0 -1 47425.7 1978.63 2 0 -1 49121.6 1990.79 2 0 -1 49960.6 1993.88 2 0 -1 50501.8 2013.24 2 0 -1 47384.8 1814.19 2 0 -1 50814.2 2133.84 2 0 -1 49516.1 1952.55 2 0 -1 48625.9 1944.95 2 0 -1 49903.4 2003.87 2 0 0 173429. 5329.82 2 0 0 173062. 5360.05 2 0 0 174964. 5297.42 2 0 0 171390. 5329.90 2 0 0 168381. 5266.76 2 0 0 173870. 5279.89 2 0 0 172416. 5269.97 2 0 0 176707. 5291.70 2 0 0 168419. 5358.28 2 0 0 176596. 5305.90 2 0 0 168881. 5274.70 2 0 0 175309. 5292.81 2 0 0 174692. 5285.83 2 0 0 169752. 5270.39 2 0 0 172369. 4837.92 2 0 0 170669. 5273.12 2 0 0 163942. 5247.46 2 0 0 166094. 5253.10 2 0 0 163512. 5354.73 2 0 0 140875. 5257.83 2 0 0 172294. 5276.47 2 0 0 153874. 5253.94 2 0 0 166276. 4945.14 2 0 0 176796. 5285.99 2 0 0 176634. 5286.58 2 0 0 165440. 5184.50 2 0 0 171875. 5275.58 2 0 0 177808. 5293.40 2 0 0 174552. 5501.31 2 0 0 167295. 5247.33 2 0 0 176549. 5289.08 2 0 0 167685. 5146.34 2 0 0 163852. 5134.96 2 0 0 171293. 5267.29 2 0 0 165958. 5260.09 2 0 0 172981. 5347.48 2 0 1 42722.6 1818.68 2 0 1 45534.5 1791.70 2 0 1 45695.4 1942.76 2 0 1 45118.1 1880.87 2 0 1 45170.5 1776.52 2 0 1 41240.0 1743.75 2 0 1 42696.9 1749.83 2 0 1 46367.8 1793.88 2 0 1 46833.4 1808.01 2 0 1 43196.8 1770.09 2 0 1 44541.9 1776.01 2 0 1 47724.1 1803.73 2 0 1 43336.9 1771.11 2 0 1 46790.7 2026.85 2 0 1 45152.8 1784.40 2 0 1 44185.4 1772.58 2 0 1 42712.1 2023.41 2 0 1 43593.9 1764.49 2 0 1 43071.7 1927.35 2 0 1 43456.6 1758.26 2 0 1 46586.6 1699.03 2 0 1 42893.7 1906.08 2 0 1 47976.0 1989.04 2 0 1 44620.5 1676.02 2 0 1 45398.3 1783.99 2 0 1 46380.2 2064.12 2 0 1 45311.3 1783.63 2 0 1 46490.9 1792.46 2 0 1 48155.9 1781.70 2 0 1 42557.3 1621.45 2 0 1 48105.0 1806.96 2 0 1 42686.4 1772.21 2 0 1 44536.3 1871.45 2 0 2 697.430 235.183 2 0 2 970.828 326.667 2 0 2 1240.45 307.421 2 0 2 896.468 253.105 2 0 2 803.048 215.578 2 0 2 919.693 378.514 2 0 2 815.666 221.672 2 0 2 1079.47 238.511 2 0 2 757.371 240.595 2 0 2 518.528 186.524 2 0 2 621.356 243.241 2 0 2 879.638 191.487 2 0 2 767.771 221.884 2 0 2 1156.68 289.297 2 0 2 1034.95 252.335 2 0 2 573.802 230.485 2 0 2 485.086 226.589 2 0 2 554.230 301.440 2 0 2 1222.42 297.272 2 0 2 871.286 369.646 2 0 2 410.714 224.754 2 0 2 717.366 221.856 2 0 2 766.172 227.855 2 0 2 862.937 391.697 2 0 2 614.587 271.508 2 0 2 849.972 226.418 2 0 2 923.027 348.196 2 0 2 739.490 338.203 2 0 2 777.452 253.657 2 0 2 1569.95 281.002 2 0 2 478.986 221.230 2 0 2 901.614 182.665 2 0 2 908.811 306.804 2 0 2 1036.66 236.161 2 0 2 1228.71 288.442 2 0 3 243170. 7315.92 2 0 3 249217. 7086.74 2 0 3 238168. 7341.60 2 0 3 245905. 7540.72 2 0 3 232556. 7061.85 2 0 3 217080. 6838.26 2 0 3 248916. 7101.45 2 0 3 246939. 7113.82 2 0 3 258929. 7806.91 2 0 3 255621. 7110.96 2 0 3 241838. 7075.61 2 0 3 251303. 7088.41 2 0 3 250720. 6903.79 2 0 3 247724. 7078.34 2 0 3 239316. 7070.14 2 0 3 240430. 7067.08 2 0 3 249694. 7694.11 2 0 3 240336. 7060.02 2 0 3 242059. 7752.71 2 0 3 236107. 7064.32 2 0 3 236155. 7072.74 2 0 3 261687. 7660.62 2 0 3 243847. 7775.83 2 0 3 239407. 7094.95 2 0 3 236387. 7074.24 2 0 3 244925. 7092.75 2 0 3 242406. 7101.72 2 0 3 239365. 6745.08 2 0 3 221251. 6709.05 2 0 3 262909. 7633.06 2 0 3 242289. 7084.56 2 0 3 236572. 7049.94 2 0 3 240311. 7212.45 2 0 3 251164. 7377.36 2 0 4 15608.7 1024.34 2 0 4 14327.0 832.259 2 0 4 15959.4 1152.27 2 0 4 15442.9 853.177 2 0 4 17623.9 1402.05 2 0 4 16624.8 871.963 2 0 4 15615.1 865.498 2 0 4 17048.1 881.115 2 0 4 15158.4 841.294 2 0 4 15907.6 868.539 2 0 4 16706.6 878.474 2 0 4 15811.8 851.860 2 0 4 15963.4 881.966 2 0 4 15569.8 853.773 2 0 4 16999.5 889.511 2 0 4 17587.4 1332.58 2 0 4 15467.5 855.538 2 0 4 14861.8 1275.37 2 0 4 15551.5 855.468 2 0 4 16222.3 870.876 2 0 4 18370.5 1439.52 2 0 4 16064.1 866.756 2 0 4 20433.0 1392.42 2 0 4 18471.5 1402.31 2 0 4 16119.3 876.693 2 0 4 16092.9 874.700 2 0 4 16008.6 879.958 2 0 4 15649.7 752.256 2 0 4 17775.5 896.945 2 0 4 16197.2 984.233 2 0 4 16008.0 1049.50 2 0 4 17019.5 928.241 2 0 5 167874. 5568.79 2 0 5 174577. 5192.86 2 0 5 172821. 5797.24 2 0 5 178056. 6306.01 2 0 5 170986. 5174.61 2 0 5 176036. 5193.19 2 0 5 175664. 5194.40 2 0 5 176381. 5195.53 2 0 5 169709. 5169.83 2 0 5 174079. 5185.58 2 0 5 176476. 5191.30 2 0 5 180152. 5503.82 2 0 5 166746. 5167.03 2 0 5 172174. 5177.60 2 0 5 164984. 5158.78 2 0 5 166101. 6154.79 2 0 5 163487. 5157.57 2 0 5 162688. 5147.92 2 0 5 176862. 6300.19 2 0 5 166466. 5157.83 2 0 5 167585. 5160.87 2 0 5 180799. 6331.06 2 0 5 169203. 5167.82 2 0 5 177097. 6209.19 2 0 5 178257. 6394.36 2 0 5 169980. 5176.68 2 0 5 171900. 5181.32 2 0 5 163712. 5064.13 2 0 5 175137. 5315.85 2 0 5 164656. 5554.39 2 0 5 167360. 5463.63 2 0 6 1836.13 737.635 2 0 6 1906.35 346.917 2 0 6 2076.59 288.070 2 0 6 1386.48 239.499 2 0 6 1475.87 409.028 2 0 6 1673.24 272.227 2 0 6 1801.51 287.245 2 0 6 2089.49 287.270 2 0 6 1563.22 270.658 2 0 6 1952.01 293.061 2 0 6 1584.18 274.651 2 0 6 2003.45 291.957 2 0 6 1308.13 244.996 2 0 6 2053.50 290.291 2 0 6 748.156 516.482 2 0 6 2004.22 299.068 2 0 6 1314.63 238.916 2 0 6 1787.33 260.181 2 0 6 1224.72 316.311 2 0 6 1956.68 293.252 2 0 6 3126.96 737.353 2 0 6 1896.14 267.769 2 0 6 2006.30 422.970 2 0 6 1979.13 279.276 2 0 6 1340.52 236.607 2 0 6 2282.98 740.797 2 0 6 850.601 501.123 2 0 6 2240.77 775.573 2 0 6 1950.76 283.863 2 0 6 1360.09 258.117 2 0 7 53911.4 3109.77 2 0 7 54718.4 1965.88 2 0 7 56222.1 2579.30 2 0 7 49175.9 1889.18 2 0 7 55384.7 1940.33 2 0 7 54312.0 1954.52 2 0 7 53301.4 1948.53 2 0 7 52147.0 1938.27 2 0 7 53060.1 1946.27 2 0 7 55447.4 2571.18 2 0 7 55984.9 1970.60 2 0 7 50119.2 1923.18 2 0 7 54668.6 1933.44 2 0 7 54398.7 1934.60 2 0 7 50217.4 1922.47 2 0 7 51484.7 1900.54 2 0 7 53255.2 3098.21 2 0 7 48484.0 1909.07 2 0 7 49981.8 1894.64 2 0 7 50711.8 2019.81 2 0 7 52529.3 3102.08 2 0 7 51216.8 1902.68 2 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185445. 6305.36 2 2 2 184612. 6000.44 2 2 3 17119.6 1222.87 2 2 3 14384.3 1055.98 2 2 3 14315.9 1061.18 2 2 3 16517.6 1097.70 2 2 3 13435.9 1173.54 2 2 3 13740.6 1008.58 2 2 3 14769.4 1098.61 2 2 3 14374.4 1089.63 2 2 3 14815.7 1085.16 2 2 3 15262.7 1338.61 2 2 3 13176.3 1045.18 2 2 3 15171.3 1083.90 2 2 3 16089.1 1155.15 2 2 3 13429.0 1070.80 2 2 3 15845.0 1132.31 2 2 3 15732.8 1111.49 2 2 3 14403.2 1057.91 2 2 3 14205.5 1091.03 2 2 3 16848.8 998.890 2 2 3 16427.6 1144.76 2 2 3 16171.2 1112.26 2 2 3 14088.0 1045.49 2 2 3 16553.2 1131.53 2 2 3 13242.1 1152.23 2 2 3 15253.6 1111.46 2 2 3 15725.2 1191.81 2 2 3 14908.0 1101.34 2 2 3 15021.3 1086.08 2 2 3 14973.5 1096.12 2 2 3 15427.2 1117.98 2 2 3 16624.0 845.758 2 2 3 13955.2 960.716 2 2 3 13692.9 928.924 2 2 3 14249.3 1090.38 2 2 4 115667. 4152.73 2 2 4 115248. 4139.95 2 2 4 112744. 3961.97 2 2 4 114743. 4143.02 2 2 4 111419. 4117.63 2 2 4 121341. 4699.56 2 2 4 114130. 4138.12 2 2 4 105801. 4089.43 2 2 4 108870. 4102.38 2 2 4 112850. 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2 6 541.199 351.307 2 2 6 369.152 316.548 2 2 6 390.364 455.859 2 2 6 1231.70 409.694 2 2 6 1828.65 626.084 2 2 6 1005.79 566.002 2 2 6 511.701 371.577 2 2 6 1436.79 358.498 2 2 6 2039.31 491.067 2 2 6 677.961 351.825 2 2 6 970.372 244.169 2 2 6 1512.40 303.833 2 2 6 975.449 283.935 2 2 7 51920.4 2593.26 2 2 7 56624.8 3293.39 2 2 7 51244.9 2426.60 2 2 7 51220.9 1833.01 2 2 7 50215.9 2445.70 2 2 7 48915.3 2428.05 2 2 7 47114.2 2397.00 2 2 7 53582.6 2439.10 2 2 7 52407.3 2629.82 2 2 7 49525.2 2392.79 2 2 7 49026.4 2435.59 2 2 7 52581.4 3078.04 2 2 7 51812.3 2483.03 2 2 7 53990.6 3039.91 2 2 7 52074.2 3000.50 2 2 7 53930.5 3195.49 2 2 7 52928.1 2454.89 2 2 7 52560.2 2444.08 2 2 7 50604.3 2169.62 2 2 7 47112.6 1910.61 2 2 7 49540.7 1895.82 2 2 8 7025.42 897.353 2 2 8 9128.52 903.073 2 2 8 7608.67 868.856 2 2 8 8269.54 890.243 2 2 8 7467.24 847.293 2 2 8 8374.32 873.453 2 2 8 8366.58 865.704 2 2 8 8621.12 915.918 2 2 8 7396.41 838.933 2 2 8 9080.76 1318.31 2 2 8 7656.37 826.641 2 2 8 7096.67 518.422 2 2 8 8962.54 1404.43 2 2 8 7201.17 1202.22 2 2 8 9467.97 1109.70 2 2 8 7299.98 1294.72 2 2 8 7729.38 1222.86 2 2 8 9127.02 903.362 2 2 9 34569.5 2034.26 2 2 9 33841.9 1863.72 2 2 9 31801.4 1901.82 2 2 9 31294.8 1890.50 2 2 9 33022.5 2270.56 2 2 9 33666.7 1931.86 2 2 9 34555.0 1877.82 2 2 9 35737.8 1908.19 2 2 9 31270.7 1885.97 2 2 9 33821.3 2725.45 2 2 9 32197.0 1900.90 2 2 9 33302.7 2615.38 2 2 9 29627.3 2639.72 2 2 9 32956.5 1848.07 2 2 9 33434.6 2717.11 2 2 10 10611.3 1608.12 2 2 10 8392.83 1203.61 2 2 10 10175.9 1518.24 2 2 10 10784.0 1673.08 2 2 10 8373.24 1481.68 2 2 11 5035.03 1219.52 2 2 11 7084.18 1149.35 2 2 11 4631.80 1099.27 2 2 11 4630.59 1233.09 2 2 11 4607.66 1182.40 2 2 12 24788.1 2783.95 2 2 12 27991.3 2726.83 2 2 12 30525.4 3083.67 2 2 12 26180.5 2778.13 2 2 13 593.494 897.813 2 2 13 208.638 682.999 2 2 13 79.1865 661.370 2 2 14 12651.5 2200.23 2 2 14 19672.7 2741.69 2 3 -16 2234.65 1152.38 2 3 -15 14350.8 2221.39 2 3 -14 14521.1 2140.94 2 3 -13 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2043.28 2 3 2 18143.0 1330.26 2 3 2 15310.5 1243.76 2 3 2 16811.9 1292.42 2 3 2 15780.0 1263.04 2 3 2 14703.1 1225.86 2 3 2 16291.8 1397.01 2 3 2 17128.2 1001.54 2 3 2 17428.9 1318.25 2 3 2 17389.2 1055.63 2 3 2 17455.7 1353.05 2 3 2 16492.3 1260.67 2 3 2 17770.3 1072.06 2 3 2 16315.4 1202.27 2 3 2 17890.0 1316.56 2 3 2 17626.4 1326.73 2 3 2 19415.4 1371.00 2 3 2 18580.7 1289.85 2 3 2 17011.8 872.495 2 3 2 17054.1 1203.02 2 3 2 19708.4 1441.94 2 3 2 17154.0 1342.39 2 3 3 181370. 6503.85 2 3 3 188872. 6475.92 2 3 3 188041. 6454.32 2 3 3 199330. 6849.96 2 3 3 186501. 6452.06 2 3 3 185785. 6455.87 2 3 3 188082. 6472.62 2 3 3 190292. 6475.05 2 3 3 191041. 6163.69 2 3 3 193793. 6173.17 2 3 3 182783. 6332.64 2 3 3 185077. 6607.40 2 3 3 195165. 5896.26 2 3 3 199293. 6543.85 2 3 3 194134. 6504.05 2 3 3 199111. 6546.61 2 3 3 195798. 5820.62 2 3 3 179854. 6194.47 2 3 3 194882. 6679.86 2 3 3 181492. 6160.71 2 3 4 419.637 443.224 2 3 4 494.926 364.989 2 3 4 683.944 384.479 2 3 4 446.174 376.149 2 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6625.69 1129.31 2 3 6 7839.19 955.048 2 3 6 6019.12 855.377 2 3 6 6926.94 774.610 2 3 6 5993.95 663.842 2 3 6 6624.96 697.951 2 3 6 7637.86 919.507 2 3 7 18823.4 1528.56 2 3 7 20107.6 1972.44 2 3 7 20845.1 1543.63 2 3 7 17914.1 1488.83 2 3 7 16713.2 1437.42 2 3 7 18922.1 1510.38 2 3 7 20646.3 1521.58 2 3 7 19611.8 1511.60 2 3 7 18884.4 1567.44 2 3 7 17588.9 1471.49 2 3 7 17081.0 1676.42 2 3 7 19828.1 1736.26 2 3 7 18654.2 1295.69 2 3 7 18465.3 1909.68 2 3 7 21304.7 1559.87 2 3 7 19249.5 1496.08 2 3 7 19157.2 1165.26 2 3 7 19142.0 1208.45 2 3 8 58194.6 3634.78 2 3 8 62579.8 3035.45 2 3 8 65317.4 3053.30 2 3 8 56054.4 2959.61 2 3 8 61232.4 3035.11 2 3 8 63895.9 3093.31 2 3 8 61513.7 2964.76 2 3 8 63811.0 3252.32 2 3 8 63068.5 2993.83 2 3 8 59422.6 3022.85 2 3 8 56060.3 3481.37 2 3 8 59737.5 2552.77 2 3 8 57057.1 2439.68 2 3 8 55911.4 3665.45 2 3 8 57799.1 2927.34 2 3 8 59603.6 2944.17 2 3 9 1615.02 475.985 2 3 9 1839.04 567.353 2 3 9 1219.52 476.193 2 3 9 1599.24 510.763 2 3 9 1346.62 462.428 2 3 9 1724.06 511.554 2 3 9 2369.68 612.924 2 3 9 1544.05 520.086 2 3 9 1378.79 638.607 2 3 9 1542.54 528.012 2 3 9 2231.74 696.615 2 3 9 256.260 774.952 2 3 9 1576.31 493.966 2 3 9 1470.34 843.703 2 3 9 1334.23 446.993 2 3 10 98624.3 4769.70 2 3 10 98045.7 5373.33 2 3 10 99615.5 5568.46 2 3 10 107039. 5611.97 2 3 11 5219.90 1217.54 2 3 11 5628.26 1065.64 2 3 11 3165.33 1119.16 2 3 11 6675.65 1412.39 2 3 12 30161.4 3027.71 2 3 12 26348.1 2956.56 2 3 12 26337.5 2829.87 2 3 13 14041.2 2173.33 2 3 13 12531.3 2041.19 2 3 13 9630.06 1939.26 2 3 14 283.419 912.813 2 4 -15-34.8750 671.962 2 4 -14 4549.44 1338.52 2 4 -13 1741.57 649.548 2 4 -13 865.255 454.076 2 4 -13 1046.44 452.703 2 4 -13 1885.67 642.635 2 4 -12 2427.53 924.934 2 4 -12 1692.35 635.781 2 4 -12 3353.90 781.787 2 4 -12 2864.19 751.898 2 4 -12 2982.60 812.459 2 4 -12 2787.88 713.017 2 4 -11 24027.8 1639.63 2 4 -11 22380.3 1600.66 2 4 -11 19934.9 1857.09 2 4 -11 23356.1 1690.65 2 4 -11 22623.7 1584.39 2 4 -11 20142.4 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34166.4 3263.85 3 11 1 39594.5 3450.59 3 11 1 38327.4 3406.09 3 11 1 43914.8 3630.21 3 11 1 36987.6 3363.23 3 11 1 41577.2 3540.72 3 11 1 43533.6 3616.84 3 11 1 41957.3 3594.49 3 11 1 40807.7 3488.31 3 11 1 43586.3 3531.88 3 11 1 36721.7 3296.48 3 11 2 17104.6 2376.57 3 11 2 22702.6 2599.32 3 11 2 20629.1 2512.45 3 11 2 19994.1 2217.56 3 11 2 24214.8 2699.35 3 11 2 19498.1 2439.76 3 11 2 21955.4 2569.82 3 11 2 24057.4 2731.20 3 11 2 16933.1 2305.06 3 11 2 19611.3 2431.79 3 11 2 18730.4 2329.45 3 11 2 19971.5 2498.45 3 11 2 22064.4 2550.25 3 11 2 22329.2 2491.31 3 11 2 20800.5 2426.22 3 11 3 7852.78 1657.28 3 11 3 9417.09 1622.79 3 11 3 10904.6 1874.21 3 11 3 8593.55 1713.89 3 11 3 10168.6 1829.44 3 11 3 6213.49 1527.99 3 11 3 9093.00 1740.97 3 11 3 12493.9 2031.08 3 11 3 11135.1 1857.00 3 11 3 8600.65 1689.98 3 11 3 7436.62 1529.20 3 11 3 10005.2 1805.02 3 11 3 11523.3 1912.47 3 11 3 9828.28 1635.69 3 11 3 8986.75 1727.81 3 11 3 7548.44 1499.15 3 11 4 34065.9 3285.80 3 11 4 35086.0 3046.39 3 11 4 27313.7 2993.99 3 11 4 30091.7 3114.18 3 11 4 27966.6 2996.12 3 11 4 26330.4 2961.49 3 11 4 34344.2 3326.11 3 11 4 29605.9 3070.34 3 11 4 25595.4 2940.88 3 11 4 32770.1 3221.38 3 11 4 32963.8 3234.01 3 11 4 31843.6 3142.08 3 11 4 30001.9 2932.19 3 11 4 38547.0 3260.35 3 11 5 53.1815 636.524 3 11 5 981.425 885.772 3 11 5 26.6337 771.508 3 11 5 585.084 771.477 3 11 5 750.128 904.521 3 11 5 1284.20 975.035 3 11 5 675.755 644.886 3 11 5 152.365 631.035 3 11 5 2109.21 1118.62 3 11 5 2508.80 1154.77 3 11 5 2703.23 1190.13 3 11 5 2491.96 1093.63 3 11 5-414.758 685.496 3 11 5 2718.87 991.764 3 11 5 1808.16 964.493 3 11 5 236.707 547.907 3 11 5 722.979 624.730 3 11 6 5722.66 1479.44 3 11 6 9402.93 1799.35 3 11 6 11527.1 1981.17 3 11 6 6944.80 1468.69 3 11 6 7000.87 1610.30 3 11 6 9256.93 1804.08 3 11 6 9052.76 1752.59 3 11 6 9774.65 1823.45 3 11 6 9425.47 1826.72 3 11 6 9246.35 1772.49 3 11 6 6471.13 1631.45 3 11 6 12104.8 2014.46 3 11 6 10014.4 1799.38 3 11 6 8077.30 1627.01 3 11 7 3053.39 1013.93 3 11 7 5036.02 1381.82 3 11 7 3477.03 1211.35 3 11 7 4830.64 1323.36 3 11 7 3073.14 1211.06 3 11 7 1724.31 970.085 3 11 7 4279.67 1320.68 3 11 7 4006.34 1258.48 3 11 7 609.644 763.083 3 11 7 5296.64 1333.62 3 11 7 3362.99 1172.51 3 12 -12 11073.0 1991.32 3 12 -12 10639.0 1971.75 3 12 -12 11655.7 1997.52 3 12 -12 10313.0 1936.29 3 12 -12 9696.57 1729.57 3 12 -11 10585.7 1912.68 3 12 -11 5997.69 1462.62 3 12 -11 8098.05 1725.05 3 12 -11 6678.04 1567.63 3 12 -11 7376.56 1561.21 3 12 -10 11053.0 1903.04 3 12 -10 5881.86 1441.02 3 12 -10 10690.5 2050.49 3 12 -10 5665.85 1362.25 3 12 -10 8807.99 1752.49 3 12 -10 7623.63 1620.55 3 12 -9 2387.09 962.225 3 12 -9 1284.39 736.926 3 12 -9 1242.92 779.905 3 12 -9 2170.52 914.760 3 12 -9 4627.55 1397.96 3 12 -9 2763.14 1023.95 3 12 -9 1988.37 879.639 3 12 -9 414.586 712.497 3 12 -9 2667.06 1172.99 3 12 -9 2330.15 874.068 3 12 -9 2011.24 850.925 3 12 -9 2012.95 923.595 3 12 -9 1318.34 844.333 3 12 -9 1395.80 750.018 3 12 -9 1586.20 999.126 3 12 -9 900.925 843.650 3 12 -8 6589.83 1473.67 3 12 -8 5752.19 1332.18 3 12 -8 5467.18 1265.68 3 12 -8 3431.66 1002.79 3 12 -8 5650.03 1341.78 3 12 -8 7321.41 1641.72 3 12 -8 5064.42 1207.90 3 12 -8 4482.31 1204.04 3 12 -8 5275.59 1475.97 3 12 -8 7271.59 1454.13 3 12 -8 4708.52 1193.55 3 12 -8 4636.42 1312.64 3 12 -8 5973.57 1525.34 3 12 -8 4860.13 1408.11 3 12 -8 5000.19 1228.09 3 12 -7 11520.6 1982.17 3 12 -7 7789.56 1577.99 3 12 -7 10339.2 1755.59 3 12 -7 10809.3 1824.69 3 12 -7 8454.38 1630.56 3 12 -7 7758.16 1590.67 3 12 -7 12064.3 2029.23 3 12 -7 7282.79 1505.21 3 12 -7 9485.03 1679.82 3 12 -7 11491.4 2001.98 3 12 -7 11839.8 1864.41 3 12 -7 9217.79 1739.13 3 12 -7 11447.2 1954.08 3 12 -7 11176.8 1932.68 3 12 -7 8469.92 1730.51 3 12 -6 3031.74 1107.96 3 12 -6 2429.45 1028.47 3 12 -6 254.027 803.584 3 12 -6 2775.48 987.726 3 12 -6 1425.25 784.293 3 12 -6 1439.25 1009.18 3 12 -6-455.967 791.157 3 12 -6 2800.47 1093.87 3 12 -6 1324.99 913.145 3 12 -6 2582.68 1126.76 3 12 -6 1898.69 987.139 3 12 -6 3842.90 1191.50 3 12 -6 1432.15 890.666 3 12 -6 1987.71 951.503 3 12 -6 575.243 615.772 3 12 -6 2399.50 1102.26 3 12 -5 12350.6 1953.72 3 12 -5 7539.27 1579.99 3 12 -5 11405.3 1889.82 3 12 -5 8504.17 1657.99 3 12 -5 9566.54 1702.71 3 12 -5 10887.2 1916.50 3 12 -5 12124.6 1926.42 3 12 -5 5623.13 1458.80 3 12 -5 11137.8 1963.50 3 12 -5 8470.44 1704.94 3 12 -5 11204.8 1837.40 3 12 -5 8956.05 1804.11 3 12 -5 11131.2 1889.73 3 12 -5 6943.48 1557.85 3 12 -5 7288.52 1593.93 3 12 -5 11500.7 1865.27 3 12 -4 587.328 606.178 3 12 -4 512.615 842.223 3 12 -4 625.196 636.656 3 12 -4-111.845 865.904 3 12 -4 987.434 739.176 3 12 -4 1598.53 828.827 3 12 -4 809.446 958.751 3 12 -4-196.273 702.584 3 12 -4 887.230 821.127 3 12 -4 751.419 722.512 3 12 -4-238.121 658.071 3 12 -4 270.394 757.443 3 12 -4-71.4082 604.834 3 12 -4-56.5064 600.495 3 12 -4 667.402 791.309 3 12 -4 319.960 808.345 3 12 -3 8611.85 1723.22 3 12 -3 8723.74 1705.74 3 12 -3 10105.3 1860.91 3 12 -3 10644.7 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10621.2 2038.28 10 2 -9 15796.2 2406.50 10 2 -9 15957.7 2420.63 10 2 -9 13375.0 2277.43 10 2 -9 17827.6 2495.94 10 2 -9 13969.0 2361.14 10 2 -9 12511.9 2150.67 10 2 -9 15387.8 2383.79 10 2 -9 11443.5 2003.60 10 2 -9 20371.5 2642.26 10 2 -9 20061.4 2684.65 10 2 -9 16227.0 2403.10 10 2 -8 2732.19 1136.83 10 2 -8 1975.94 836.746 10 2 -8 1858.12 1043.05 10 2 -8 3432.48 1207.07 10 2 -8 2144.66 996.747 10 2 -8 1664.36 995.659 10 2 -8 1829.23 1050.42 10 2 -8 1662.02 947.174 10 2 -8 868.879 875.259 10 2 -8 2334.64 1151.86 10 2 -8 2966.45 1108.84 10 2 -8 618.362 853.482 10 2 -8 1453.54 1012.85 10 2 -8 3322.52 1172.17 10 2 -8 1404.02 1066.85 10 2 -7 9341.26 1755.61 10 2 -7 7310.15 1458.05 10 2 -7 8059.89 1731.20 10 2 -7 9345.26 1865.30 10 2 -7 6348.93 1504.70 10 2 -7 5546.71 1464.56 10 2 -7 7081.50 1592.72 10 2 -7 6419.03 1565.33 10 2 -7 4439.19 1320.18 10 2 -7 7770.74 1759.38 10 2 -7 6333.56 1451.39 10 2 -7 8512.32 1751.16 10 2 -7 5491.01 1602.98 10 2 -7 8699.22 1715.78 10 2 -7 6424.49 1558.35 10 2 -6 10890.3 1988.27 10 2 -6 9908.82 1736.31 10 2 -6 9124.49 1824.77 10 2 -6 13233.7 2195.96 10 2 -6 14314.5 2163.15 10 2 -6 11973.7 1970.12 10 2 -6 13317.2 2106.46 10 2 -6 14356.7 2204.02 10 2 -6 12316.4 2052.07 10 2 -6 12535.2 2086.63 10 2 -6 10827.3 1871.63 10 2 -6 10048.7 1974.48 10 2 -6 11754.2 1937.88 10 2 -6 9819.45 1759.01 10 2 -6 10137.1 1908.47 10 2 -5-380.921 759.745 10 2 -5 1594.72 1104.63 10 2 -5 1887.93 942.865 10 2 -5 1745.26 1002.40 10 2 -5 3022.16 1045.01 10 2 -5 2596.45 1151.17 10 2 -5 583.445 709.729 10 2 -5 3763.45 1254.88 10 2 -5 1970.22 1111.84 10 2 -5 341.248 791.245 10 2 -5 765.511 707.090 10 2 -5 2102.30 998.206 10 2 -5 783.613 827.380 10 2 -5 1230.20 991.584 10 2 -5 2136.89 1042.58 10 2 -4 17403.3 2376.09 10 2 -4 14871.0 2137.66 10 2 -4 10832.1 1918.18 10 2 -4 12569.5 2045.12 10 2 -4 11739.2 1971.02 10 2 -4 13479.7 2033.70 10 2 -4 14611.9 2402.49 10 2 -4 11627.5 2009.83 10 2 -4 11816.1 2003.11 10 2 -4 15523.3 2249.52 10 2 -4 12309.2 1989.53 10 2 -4 14016.1 2337.13 10 2 -4 10908.7 1837.20 10 2 -4 13581.7 2106.43 10 2 -4 10616.6 1826.90 10 2 -4 11227.6 1841.43 10 2 -3-196.640 699.879 10 2 -3 572.883 811.474 10 2 -3 182.071 832.271 10 2 -3 441.921 724.070 10 2 -3-133.030 781.364 10 2 -3-195.133 666.752 10 2 -3 580.224 876.277 10 2 -3 1161.06 821.949 10 2 -3 572.104 691.398 10 2 -3 1224.88 1012.76 10 2 -3 1067.19 935.767 10 2 -3 643.496 764.152 10 2 -3-69.9311 741.310 10 2 -3 141.772 633.982 10 2 -3 1106.23 840.349 10 2 -3 195.688 687.817 10 2 -2 4371.71 1201.01 10 2 -2 4375.65 1277.55 10 2 -2 3077.58 1301.44 10 2 -2 1925.86 1036.81 10 2 -2 5798.71 1404.54 10 2 -2 2290.97 886.853 10 2 -2 4992.50 1271.34 10 2 -2 5547.62 1491.29 10 2 -2 5168.72 1361.50 10 2 -2 3545.49 1171.24 10 2 -2 3192.05 1206.71 10 2 -2 4894.11 1289.11 10 2 -2 3316.87 1019.29 10 2 -2 5076.21 1359.26 10 2 -2 4740.57 1189.68 10 2 -2 5925.14 1268.78 10 2 -1 1280.97 914.362 10 2 -1 1225.52 1013.67 10 2 -1 357.266 751.447 10 2 -1 605.282 679.113 10 2 -1-1.22882 718.370 10 2 -1 145.012 656.021 10 2 -1 806.881 890.396 10 2 -1 2375.03 1012.94 10 2 -1 1038.38 875.607 10 2 -1 1449.89 802.718 10 2 -1-676.639 945.546 10 2 -1 2629.41 1072.94 10 2 -1 2437.22 1124.12 10 2 -1 197.000 589.172 10 2 -1 789.641 809.189 10 2 -1 576.536 668.008 10 2 -1 1257.39 684.739 10 2 0 3473.22 1248.12 10 2 0 1351.95 815.233 10 2 0 2231.32 878.490 10 2 0 1734.57 888.082 10 2 0 3215.55 1100.49 10 2 0 4225.35 1154.09 10 2 0 4050.71 1381.25 10 2 0 4125.61 1332.25 10 2 0 3722.95 1271.93 10 2 0 3682.34 1085.79 10 2 0 4209.20 1224.03 10 2 0 4493.98 1264.76 10 2 0 1138.16 742.356 10 2 0 3146.15 1042.55 10 2 0 1497.52 816.503 10 2 1 24773.3 2921.41 10 2 1 30190.3 3185.21 10 2 1 20702.1 2753.10 10 2 1 27698.5 2903.62 10 2 1 26258.3 2802.58 10 2 1 22964.7 2627.25 10 2 1 27815.7 2877.95 10 2 1 24433.3 2996.30 10 2 1 26541.0 2799.40 10 2 1 24455.7 2701.74 10 2 1 26743.9 2861.56 10 2 1 28428.5 2939.20 10 2 1 25589.8 2766.96 10 2 1 22906.5 2672.32 10 2 2 36.8192 697.153 10 2 2 799.827 991.957 10 2 2 957.659 772.187 10 2 2-219.203 566.287 10 2 2-580.657 656.734 10 2 2-37.9216 623.354 10 2 2 309.314 768.635 10 2 2 256.057 719.512 10 2 2 1392.99 736.701 10 2 2 424.531 737.793 10 2 2 9.95565 613.807 10 2 2 1825.12 946.509 10 2 2 726.936 735.159 10 2 2-86.4135 829.173 10 2 3 28166.0 3144.84 10 2 3 36338.1 3627.01 10 2 3 29581.0 3330.40 10 2 3 32781.1 3493.79 10 2 4 13610.9 2182.90 10 2 4 15522.0 2429.53 10 2 5 1758.83 1058.14 10 3 -11 6434.63 1554.37 10 3 -10 5093.65 1402.53 10 3 -9 1771.45 927.978 10 3 -9 1308.51 1028.68 10 3 -9 3691.99 1351.27 10 3 -9 4336.15 1371.51 10 3 -9 666.987 709.306 10 3 -9 4416.07 1335.40 10 3 -9 1626.48 1050.11 10 3 -9 4210.46 1438.79 10 3 -9 1101.22 933.700 10 3 -9 1566.15 1012.63 10 3 -9 786.121 770.283 10 3 -9 3145.93 1228.99 10 3 -8 17108.9 2423.84 10 3 -8 14701.1 2083.17 10 3 -8 10619.6 1991.03 10 3 -8 16800.6 2444.33 10 3 -8 11798.9 2121.68 10 3 -8 16746.3 2460.86 10 3 -8 16397.7 2428.73 10 3 -8 14264.0 2243.54 10 3 -8 12929.1 2130.80 10 3 -8 17943.4 2509.32 10 3 -8 16226.8 2380.76 10 3 -8 14025.7 2266.39 10 3 -8 14740.9 2261.16 10 3 -8 15336.2 2308.27 10 3 -7-472.195 774.619 10 3 -7-310.715 683.294 10 3 -7 175.933 732.591 10 3 -7 1317.07 921.556 10 3 -7-663.995 946.173 10 3 -7 274.502 714.779 10 3 -7-128.114 729.169 10 3 -7-924.783 1108.26 10 3 -7 725.314 833.299 10 3 -7 1346.32 996.061 10 3 -7-1234.53 959.989 10 3 -7 1231.98 998.219 10 3 -7 1438.17 1010.72 10 3 -7 1317.16 976.673 10 3 -6 32085.5 3151.63 10 3 -6 32404.7 3367.19 10 3 -6 35868.4 3490.67 10 3 -6 29488.3 3203.01 10 3 -6 29003.4 3180.83 10 3 -6 26872.7 3064.76 10 3 -6 32639.0 3335.11 10 3 -6 34697.8 3502.11 10 3 -6 32926.6 3388.32 10 3 -6 32379.5 3372.66 10 3 -6 35284.6 3429.87 10 3 -6 30851.2 3203.90 10 3 -6 33832.0 3334.04 10 3 -6 34527.1 3395.28 10 3 -5 4880.09 1465.78 10 3 -5 5189.88 1261.79 10 3 -5 5486.70 1481.56 10 3 -5 7796.44 1714.30 10 3 -5 7061.98 1618.87 10 3 -5 7423.45 1658.23 10 3 -5 6678.85 1581.35 10 3 -5 6806.56 1614.09 10 3 -5 8994.05 1801.59 10 3 -5 5243.44 1390.25 10 3 -5 8003.94 1704.21 10 3 -5 9492.33 1997.46 10 3 -5 6109.59 1549.01 10 3 -5 6326.16 1457.38 10 3 -5 8688.01 1683.88 10 3 -4 13665.1 2156.36 10 3 -4 13057.3 2030.31 10 3 -4 15462.9 2258.56 10 3 -4 11946.7 1987.11 10 3 -4 13528.8 2102.82 10 3 -4 14782.9 2204.76 10 3 -4 11735.1 2167.26 10 3 -4 13061.2 2066.17 10 3 -4 11052.3 1885.38 10 3 -4 7522.56 1818.09 10 3 -4 10189.6 1876.52 10 3 -4 12956.6 2103.12 10 3 -4 18972.8 2406.57 10 3 -4 8737.96 1678.37 10 3 -4 15301.1 2144.05 10 3 -4 13104.6 2008.91 10 3 -3 12244.4 2100.01 10 3 -3 13562.7 2060.01 10 3 -3 10897.2 1964.43 10 3 -3 10127.1 1860.95 10 3 -3 9380.85 1802.87 10 3 -3 10470.0 1932.92 10 3 -3 11084.1 2108.08 10 3 -3 14940.3 2229.17 10 3 -3 11461.8 2000.43 10 3 -3 13005.8 2074.03 10 3 -3 7669.49 1890.11 10 3 -3 10362.5 1837.84 10 3 -3 12185.2 1934.01 10 3 -3 10487.0 1866.60 10 3 -3 14565.3 2067.01 10 3 -3 11136.0 1856.99 10 3 -2 795.642 843.063 10 3 -2-1466.34 1111.69 10 3 -2 1876.41 1096.40 10 3 -2-171.164 643.916 10 3 -2-1020.64 1037.70 10 3 -2-573.764 924.531 10 3 -2 2335.24 1097.21 10 3 -2-70.7368 734.207 10 3 -2-951.783 941.644 10 3 -2 182.553 679.799 10 3 -2 78.9267 591.297 10 3 -2 366.019 577.559 10 3 -2 2082.47 994.998 10 3 -2 660.976 546.406 10 3 -2 864.256 718.366 10 3 -2 103.750 726.590 10 3 -2 46.7690 571.852 10 3 -1 13554.1 2126.54 10 3 -1 13219.7 2089.67 10 3 -1 12020.6 1961.84 10 3 -1 14256.5 2127.93 10 3 -1 10697.1 1904.11 10 3 -1 10080.6 1828.93 10 3 -1 11283.3 2053.86 10 3 -1 8384.17 1627.03 10 3 -1 11848.4 1952.18 10 3 -1 11842.9 1993.70 10 3 -1 9050.88 1945.65 10 3 -1 10926.8 1916.25 10 3 -1 8307.17 1714.14 10 3 -1 12114.8 1839.14 10 3 -1 13771.8 2124.22 10 3 -1 12852.3 1839.75 10 3 -1 11945.6 1798.21 10 3 0 6139.94 1518.47 10 3 0 6411.10 1607.84 10 3 0 8029.34 1662.70 10 3 0 6081.83 1482.10 10 3 0 7051.27 1560.89 10 3 0 8231.29 1664.12 10 3 0 9350.72 1849.36 10 3 0 4037.06 1522.21 10 3 0 7498.50 1564.63 10 3 0 7291.26 1572.14 10 3 0 7215.80 1622.51 10 3 0 4258.92 1234.67 10 3 0 8696.82 1679.16 10 3 0 8085.24 1523.11 10 3 0 7342.11 1613.97 10 3 1 17682.9 2504.60 10 3 1 21190.5 2801.55 10 3 1 16555.6 2484.02 10 3 1 17463.3 2388.41 10 3 1 22438.5 2612.58 10 3 1 18032.7 2380.26 10 3 1 14897.5 2167.94 10 3 1 15561.9 2380.39 10 3 1 19280.7 2417.55 10 3 1 20751.7 2525.28 10 3 1 18901.2 2436.46 10 3 1 17985.8 2400.58 10 3 1 17308.3 2372.55 10 3 1 16656.3 2321.26 10 3 2 20191.2 2805.01 10 3 2 26071.4 3053.71 10 3 2 29472.7 3341.39 10 3 2 22334.5 2617.17 10 3 2 22412.9 2602.21 10 3 2 20549.4 2525.04 10 3 2 24276.3 2699.72 10 3 2 21465.2 2773.67 10 3 2 25971.9 2763.84 10 3 2 21399.5 2585.27 10 3 2 20490.3 2537.76 10 3 2 16738.3 2375.60 10 3 2 23262.2 2681.57 10 3 2 20090.0 2560.10 10 3 3 2316.85 1097.84 10 3 3 5964.98 1551.10 10 4 -11 3768.77 1208.14 10 4 -10 16956.2 2386.94 10 4 -9 3398.92 1202.16 10 4 -8 38541.6 3435.41 10 4 -8 33686.0 3539.25 10 4 -8 33304.8 3549.67 10 4 -8 32476.2 3508.37 10 4 -8 35474.2 3603.17 10 4 -8 36774.7 3683.75 10 4 -8 31044.5 3408.31 10 4 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3262.88 10 4 -5 33174.0 3467.82 10 4 -5 36748.5 3612.47 10 4 -5 34238.1 3455.86 10 4 -5 32618.8 3418.49 10 4 -5 26679.3 2994.40 10 4 -5 32495.4 3234.72 10 4 -5 30810.0 3172.21 10 4 -5 33297.4 3401.93 10 4 -4 3733.88 1375.19 10 4 -4 4247.77 1372.53 10 4 -4 2493.46 1147.02 10 4 -4 2716.46 1160.32 10 4 -4 2225.84 1024.60 10 4 -4 2203.27 1168.67 10 4 -4 2757.60 1271.38 10 4 -4 2106.13 1287.88 10 4 -4 3160.23 1233.52 10 4 -4 1873.77 897.882 10 4 -4 3381.36 1233.48 10 4 -4 3840.47 1300.93 10 4 -4 2432.27 1097.22 10 4 -4 4199.06 1321.97 10 4 -4 3483.72 1214.16 10 4 -4 3476.31 1311.05 10 4 -4 1374.50 869.968 10 4 -4 2504.21 988.127 10 4 -3 4096.24 1263.19 10 4 -3 6051.67 1569.85 10 4 -3 3457.45 1165.80 10 4 -3 3877.93 1260.37 10 4 -3 3905.48 1313.58 10 4 -3 4561.09 1290.09 10 4 -3 3528.17 1289.25 10 4 -3 5614.95 1539.26 10 4 -3 4098.63 1233.47 10 4 -3 3406.08 1450.26 10 4 -3 6753.43 1618.31 10 4 -3 3289.14 1147.05 10 4 -3 5499.54 1479.55 10 4 -3 6383.61 1576.89 10 4 -3 4718.21 1341.59 10 4 -3 4554.47 1367.33 10 4 -3 4973.37 1302.24 10 4 -3 4301.80 1189.01 10 4 -2 7233.23 1627.30 10 4 -2 3576.44 1232.30 10 4 -2 3766.27 1453.46 10 4 -2 5577.13 1456.98 10 4 -2 3408.91 1151.95 10 4 -2 5839.36 1511.58 10 4 -2 8320.53 1721.17 10 4 -2 3603.23 1096.76 10 4 -2 8168.92 1741.10 10 4 -2 4576.71 1405.73 10 4 -2 7642.13 1693.94 10 4 -2 6941.46 1593.66 10 4 -2 3689.58 1348.51 10 4 -2 7024.73 1487.50 10 4 -2 4671.16 1354.99 10 4 -2 7080.14 1509.98 10 4 -2 7077.08 1522.87 10 4 -1 2310.57 1025.80 10 4 -1 1524.18 1070.59 10 4 -1 1597.63 981.821 10 4 -1 3444.75 1257.10 10 4 -1 4405.62 1307.88 10 4 -1 1157.66 873.340 10 4 -1 1818.57 1014.92 10 4 -1 3662.75 1227.28 10 4 -1 2931.31 1114.22 10 4 -1 5294.60 1689.57 10 4 -1 4396.61 1271.93 10 4 -1 2238.03 1056.90 10 4 -1 4583.80 1224.92 10 4 -1 3055.74 1095.52 10 4 -1 3880.98 1168.78 10 4 -1 2978.64 914.894 10 4 0 11970.7 2164.66 10 4 0 6845.98 1697.50 10 4 0 8009.46 1680.16 10 4 0 6126.68 1457.55 10 4 0 10296.2 1856.85 10 4 0 6909.99 1588.06 10 4 0 6260.35 1641.69 10 4 0 7643.14 1696.40 10 4 0 10910.7 1996.11 10 4 0 8796.83 1722.00 10 4 0 10159.9 1939.13 10 4 0 10780.9 1905.37 10 4 0 11608.1 1836.47 10 4 0 7622.38 1645.90 10 4 1 169.276 823.120 10 4 1 615.725 752.803 10 4 1-340.490 719.177 10 4 1-53.7900 619.207 10 4 1 340.168 829.942 10 4 1-1028.45 858.756 10 4 1 1443.95 923.921 10 4 1-15.3184 778.403 10 4 1-1154.14 1002.17 10 4 1 241.392 710.651 10 4 2 9545.35 1822.69 10 4 2 8708.26 1711.25 10 4 2 7952.98 1668.43 10 4 2 8121.68 1625.28 10 4 2 7142.08 1610.45 10 4 2 7124.91 1601.12 10 4 2 6606.85 1458.46 10 4 2 5741.42 1430.97 10 4 2 9235.33 1794.34 10 5 -9 12436.6 2106.17 10 5 -8 989.639 764.003 10 5 -8 869.128 795.027 10 5 -7 27511.5 3170.07 10 5 -7 26903.8 3011.69 10 5 -7 27410.1 3144.05 10 5 -7 24785.0 3003.49 10 5 -7 27766.0 3144.19 10 5 -6 7623.37 1734.07 10 5 -6 5760.44 1420.32 10 5 -6 9263.07 1906.03 10 5 -6 7044.20 1716.55 10 5 -6 8816.40 1794.23 10 5 -6 7141.43 1632.48 10 5 -6 4884.14 1436.39 10 5 -6 5579.05 1501.32 10 5 -6 7417.92 1686.05 10 5 -6 12233.0 2136.99 10 5 -6 6200.99 1531.52 10 5 -6 6510.47 1557.41 10 5 -6 10217.2 1919.75 10 5 -6 7979.42 1815.97 10 5 -6 9610.21 1843.21 10 5 -6 6392.90 1731.63 10 5 -5 10752.4 2033.78 10 5 -5 12014.0 2073.20 10 5 -5 10155.4 1978.25 10 5 -5 12313.8 2221.07 10 5 -5 8890.23 1910.00 10 5 -5 11597.8 2059.39 10 5 -5 9632.97 2160.16 10 5 -5 10103.6 1861.05 10 5 -5 10232.9 1959.46 10 5 -5 9591.52 1871.42 10 5 -5 9234.57 1839.47 10 5 -5 13361.2 2158.71 10 5 -5 10952.7 2031.17 10 5 -5 12972.6 2179.51 10 5 -5 6639.17 1551.56 10 5 -5 11424.1 2023.77 10 5 -5 11870.0 2087.69 10 5 -4 10305.5 1950.68 10 5 -4 8447.93 1762.98 10 5 -4 7871.97 1772.54 10 5 -4 12439.5 2421.47 10 5 -4 14098.7 2252.27 10 5 -4 13172.8 2150.64 10 5 -4 10020.8 1920.81 10 5 -4 11087.6 2037.45 10 5 -4 11604.6 2076.41 10 5 -4 17041.3 2461.55 10 5 -4 11167.2 2055.50 10 5 -4 11974.5 2104.11 10 5 -4 11792.6 2130.58 10 5 -4 11107.3 1994.71 10 5 -4 9042.81 1895.04 10 5 -4 8195.76 1653.07 10 5 -4 12676.5 2053.71 10 5 -3 191.540 798.036 10 5 -3-555.956 1029.39 10 5 -3-1003.93 732.689 10 5 -3 537.412 905.984 10 5 -3-1751.44 1101.27 10 5 -3 2543.56 1164.71 10 5 -3 294.282 699.421 10 5 -3-678.824 943.642 10 5 -3-1223.94 1042.71 10 5 -3-407.870 885.040 10 5 -3 43.2833 735.196 10 5 -3-1156.51 974.872 10 5 -3 123.330 1053.43 10 5 -3-677.320 733.547 10 5 -3 1309.68 1108.71 10 5 -3 178.852 647.425 10 5 -3 432.364 751.919 10 5 -2 9216.07 1942.50 10 5 -2 9440.13 1896.60 10 5 -2 11883.3 2322.69 10 5 -2 8870.26 1825.93 10 5 -2 6237.46 1562.79 10 5 -2 8953.72 1839.74 10 5 -2 7462.56 1685.48 10 5 -2 8547.54 1795.38 10 5 -2 6181.63 1589.00 10 5 -2 8366.59 1836.76 10 5 -2 11076.4 1967.95 10 5 -2 6132.38 1659.57 10 5 -2 8953.08 1690.46 10 5 -2 6790.80 1594.93 10 5 -2 7978.48 1553.70 10 5 -2 5774.39 1472.20 10 5 -1 2226.28 1068.72 10 5 -1 3845.03 1268.00 10 5 -1 4388.90 1260.60 10 5 -1 2245.09 1109.59 10 5 -1 7254.13 1710.50 10 5 -1 3256.74 1150.02 10 5 -1 8383.58 1788.38 10 5 -1 3514.01 1212.00 10 5 -1 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11 2 -1 4435.37 1337.97 11 2 -1 4315.94 1287.35 11 2 -1 6445.65 1569.72 11 2 0 2489.37 1133.47 11 2 0-758.502 767.979 11 2 0 73.1053 590.262 11 2 0-264.848 704.992 11 2 0-1835.25 1264.75 11 2 0 456.739 685.694 11 2 0 1378.29 856.744 11 2 0 485.718 819.183 11 2 0 1504.07 945.941 11 2 0-61.3048 713.547 11 2 0 1006.44 871.233 11 2 1 17261.9 2424.40 11 2 1 18393.9 2444.01 11 2 1 20670.0 2564.25 11 2 1 14050.5 2137.24 11 2 1 17872.5 2671.78 11 2 1 13434.0 2126.36 11 2 1 21489.5 2621.29 11 2 1 14207.9 2206.85 11 2 1 19556.5 2560.17 11 2 1 15421.5 2286.19 11 2 1 13640.2 2169.42 11 3 -8 31401.3 3186.26 11 3 -7 1809.74 960.154 11 3 -6 13844.7 2153.69 11 3 -5 5846.92 1489.27 11 3 -5 4858.03 1540.90 11 3 -5 5276.79 1360.69 11 3 -5 9511.62 1848.36 11 3 -5 8391.13 1758.78 11 3 -4 313.027 775.877 11 3 -4 634.781 833.987 11 3 -4 148.626 695.664 11 3 -4-538.417 912.685 11 3 -4 456.193 717.643 11 3 -3 4543.48 1434.08 11 3 -3 7190.18 1658.46 11 3 -3 4515.87 1320.99 11 3 -3 4913.75 1338.37 11 3 -2 2389.51 1212.88 11 3 -2 748.819 701.629 11 3 -2 1148.24 818.230 11 3 -2 1532.48 669.741 11 3 -1 10909.9 1955.18 11 3 -1 11540.2 2029.00 11 3 -1 7745.14 1701.41 11 3 -1 9518.87 1988.88 11 3 -1 10740.2 1932.56 11 3 -1 10496.0 1962.94 11 3 -1 11741.5 1904.81 11 3 0 9730.55 1862.45 11 3 0 7320.89 1627.61 11 3 0 7535.42 1593.32 11 3 0 10860.2 1952.35 11 3 0 5905.17 1626.75 11 3 0 8565.42 1746.70 11 3 0 9633.96 1846.34 11 3 0 9568.14 1891.26 11 3 0 6476.32 1600.07 11 3 0 9138.97 1782.56 11 3 0 9134.87 1849.20 11 3 1 6900.79 1582.96 11 3 1 10081.1 2020.11 11 3 1 8768.18 1811.62 11 3 1 7218.02 1670.93 11 3 1 4362.31 1279.45 11 3 1 7957.96 1703.64 11 4 -8 11767.6 2025.85 11 4 -7 10562.4 1914.80 11 4 -5 11592.9 2208.39 11 4 -4 158.973 924.096 11 4 -4 457.186 762.857 11 4 -4 1546.06 963.197 11 4 -3 9689.65 2029.76 11 4 -3 10045.5 1899.40 11 4 -3 8303.95 1695.99 11 4 -3 7802.77 1616.50 11 4 -2 6675.49 1739.67 11 4 -2 8180.66 1647.12 11 4 -2 9627.78 1806.67 11 4 -2 11331.5 1904.52 11 5 -6 7577.07 1901.98 12 -3 -4 706.132 822.490 12 -3 -4 2525.04 1050.50 12 -2 -5 3104.49 1351.93 12 -2 -4 5622.00 1636.33 12 -2 -4 6978.24 1607.64 12 -2 -4 5646.47 1391.28 12 -2 -4 6655.28 1495.37 12 -2 -3 272.055 813.148 12 -2 -2 5399.69 1531.02 12 -2 -1 1684.78 1119.47 12 -1 -4 6630.10 1530.48 12 -1 -4 7615.21 1615.22 12 -1 -4 10423.3 1839.72 12 -1 -3 2033.33 999.778 12 -1 -2 2990.25 1077.99 12 0 -5 11177.3 2176.83 12 0 -4-513.718 846.684 12 0 -4 563.033 726.810 12 0 -3 7795.27 1641.77 12 0 -2 11496.7 1954.45 0 0 0 0.00 0.00 TITL Lars in P1 REM P1 (#1 in standard setting) CELL 0.71073 8.420203 11.219399 11.835478 98.3975 101.1738 95.9907 ZERR 3.00 0.000139 0.000155 0.000161 0.0011 0.0013 0.0012 LATT -1 SFAC C H P S Cl Au UNIT 36.00 81.00 3.00 3.00 9.00 3.00 TREF HKLF 4 END ; _shelx_hkl_checksum 20780 _shelx_res_file ; TITL Lars in P-1 shelx.res created by SHELXL-2019/3 at 13:50:19 on 06-Nov-2023 CELL 0.71073 8.420203 11.219399 11.835478 98.3975 101.1738 95.9907 ZERR 2.00 0.0003 0.0004 0.0004 0.003 0.003 0.003 LATT 1 SFAC C H P S Cl Au UNIT 26 58 2 2 10 2 FMAP 2 PLAN 10 L.S. 6 TEMP -173 SIZE 0.15 0.1 0.1 ACTA 60 CONF 2.4 BOND $H HTAB C23 AU1 HTAB C13 S1 HTAB C32 S1 HTAB C23 CL2 HTAB C32 CL3 HTAB C33 CL3 HTAB C99 CL2 EQIV $1 1+x,y,z HTAB C22 CL3_$1 EQIV $2 1-x,1-y,1-z RTAB CONT S1 S1_$2 EQIV $3 2-x,2-y,-z RTAB CONT CL5 CL5_$3 WGHT 0.014700 0.964200 FVAR 2.86379 AU1 6 0.535610 0.654888 0.297560 11.00000 0.01635 0.01008 = 0.01700 -0.00052 0.00743 0.00177 P1 3 0.632226 0.333304 0.264990 11.00000 0.01142 0.01110 = 0.01103 0.00101 0.00292 0.00285 S1 4 0.555741 0.471970 0.367487 11.00000 0.02202 0.01394 = 0.01331 0.00088 0.00704 0.00565 CL1 5 0.513288 0.843553 0.246392 11.00000 0.04643 0.01183 = 0.03719 0.00546 0.01577 0.00483 CL2 5 0.782320 0.731598 0.419508 11.00000 0.02018 0.02435 = 0.03201 -0.00938 0.00494 -0.00319 CL3 5 0.283580 0.586659 0.180255 11.00000 0.01744 0.01781 = 0.01994 0.00340 0.00395 0.00508 C1 1 0.685252 0.230958 0.378100 11.00000 0.01580 0.01448 = 0.01480 0.00523 0.00260 0.00395 C2 1 0.818202 0.389366 0.210239 11.00000 0.01490 0.01681 = 0.01740 0.00405 0.00787 0.00312 C3 1 0.457862 0.255749 0.142047 11.00000 0.01484 0.01314 = 0.01572 -0.00161 0.00118 0.00311 C11 1 0.789049 0.135530 0.335635 11.00000 0.02037 0.01794 = 0.02058 0.00627 0.00432 0.00841 AFIX 137 H11A 2 0.896288 0.176237 0.332015 11.00000 -1.50000 H11B 2 0.733736 0.091959 0.257732 11.00000 -1.50000 H11C 2 0.803183 0.077662 0.390133 11.00000 -1.50000 AFIX 0 C12 1 0.528200 0.165074 0.401046 11.00000 0.01903 0.01935 = 0.01969 0.00707 0.00627 0.00183 AFIX 137 H12A 2 0.556046 0.121650 0.466725 11.00000 -1.50000 H12B 2 0.472365 0.106869 0.331072 11.00000 -1.50000 H12C 2 0.456061 0.224697 0.419971 11.00000 -1.50000 AFIX 0 C13 1 0.779196 0.305532 0.496331 11.00000 0.02248 0.02354 = 0.01496 0.00539 0.00081 0.00480 AFIX 137 H13A 2 0.806888 0.250522 0.552104 11.00000 -1.50000 H13B 2 0.710742 0.362704 0.526409 11.00000 -1.50000 H13C 2 0.879701 0.350796 0.485668 11.00000 -1.50000 AFIX 0 C21 1 0.858996 0.290964 0.118990 11.00000 0.02144 0.02255 = 0.02289 0.00340 0.01165 0.00870 AFIX 137 H21A 2 0.959839 0.320758 0.096282 11.00000 -1.50000 H21B 2 0.769214 0.272475 0.049961 11.00000 -1.50000 H21C 2 0.873861 0.217124 0.152734 11.00000 -1.50000 AFIX 0 C22 1 0.964510 0.427840 0.313959 11.00000 0.01516 0.02534 = 0.02391 0.00467 0.00436 -0.00113 AFIX 137 H22A 2 1.055508 0.469794 0.288068 11.00000 -1.50000 H22B 2 0.998283 0.355582 0.344279 11.00000 -1.50000 H22C 2 0.933090 0.482692 0.375708 11.00000 -1.50000 AFIX 0 C23 1 0.792220 0.502962 0.153660 11.00000 0.02310 0.01863 = 0.02121 0.00583 0.01086 0.00358 AFIX 137 H23A 2 0.785061 0.571139 0.213648 11.00000 -1.50000 H23B 2 0.690694 0.486182 0.093839 11.00000 -1.50000 H23C 2 0.884367 0.523857 0.117485 11.00000 -1.50000 AFIX 0 C31 1 0.481558 0.125338 0.093922 11.00000 0.02305 0.01518 = 0.02082 -0.00372 -0.00036 0.00480 AFIX 137 H31A 2 0.392796 0.091382 0.026551 11.00000 -1.50000 H31B 2 0.480460 0.074977 0.154879 11.00000 -1.50000 H31C 2 0.586512 0.126580 0.069678 11.00000 -1.50000 AFIX 0 C32 1 0.295144 0.253179 0.183645 11.00000 0.01138 0.01903 = 0.02366 0.00130 0.00117 0.00188 AFIX 137 H32A 2 0.277011 0.336554 0.210355 11.00000 -1.50000 H32B 2 0.299746 0.207114 0.248201 11.00000 -1.50000 H32C 2 0.205260 0.214234 0.118818 11.00000 -1.50000 AFIX 0 C33 1 0.441961 0.328978 0.040800 11.00000 0.02165 0.02037 = 0.01443 0.00102 0.00106 0.00694 AFIX 137 H33A 2 0.538213 0.325449 0.005922 11.00000 -1.50000 H33B 2 0.434062 0.413848 0.070728 11.00000 -1.50000 H33C 2 0.343501 0.294182 -0.018603 11.00000 -1.50000 AFIX 0 C99 1 1.058813 0.867928 0.245266 11.00000 0.04850 0.02113 = 0.02413 0.00429 0.00317 -0.00003 AFIX 23 H99A 2 0.963855 0.820052 0.262990 11.00000 -1.20000 H99B 2 1.141490 0.813027 0.234783 11.00000 -1.20000 AFIX 0 CL4 5 1.142304 0.986589 0.363260 11.00000 0.02401 0.02422 = 0.02316 0.00528 0.00149 0.00542 CL5 5 0.995902 0.924684 0.114219 11.00000 0.05879 0.04426 = 0.02301 0.00752 -0.00346 0.00327 HKLF 4 REM Lars in P-1 REM wR2 = 0.0373, GooF = S = 1.054, Restrained GooF = 1.054 for all data REM R1 = 0.0205 for 6124 Fo > 4sig(Fo) and 0.0245 for all 6558 data REM 199 parameters refined using 0 restraints END WGHT 0.0147 0.9642 REM Highest difference peak 1.760, deepest hole -1.012, 1-sigma level 0.125 Q1 1 0.4767 0.6646 0.2362 11.00000 0.05 1.76 Q2 1 0.5941 0.6452 0.3634 11.00000 0.05 1.09 Q3 1 0.5671 0.7194 0.3047 11.00000 0.05 1.08 Q4 1 0.4708 0.5954 0.2873 11.00000 0.05 0.97 Q5 1 0.5678 0.6397 0.2785 11.00000 0.05 0.70 Q6 1 0.5198 0.5594 0.3180 11.00000 0.05 0.70 Q7 1 0.7384 0.7562 0.3620 11.00000 0.05 0.66 Q8 1 0.4217 0.6822 0.1594 11.00000 0.05 0.65 Q9 1 0.5610 0.3127 0.1858 11.00000 0.05 0.61 Q10 1 0.4574 0.6018 0.3342 11.00000 0.05 0.58 ; _shelx_res_checksum 52647 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 Au Au1 0.53561(2) 0.65489(2) 0.29756(2) 0.01423(3) Uani d 1 . . P P1 0.63223(6) 0.33330(4) 0.26499(4) 0.01110(9) Uani d 1 . . S S1 0.55574(6) 0.47197(4) 0.36749(4) 0.01588(10) Uani d 1 . . Cl Cl1 0.51329(8) 0.84355(5) 0.24639(6) 0.03068(13) Uani d 1 . . Cl Cl2 0.78232(7) 0.73160(5) 0.41951(5) 0.02751(12) Uani d 1 . . Cl Cl3 0.28358(6) 0.58666(4) 0.18025(5) 0.01819(10) Uani d 1 . . C C1 0.6853(2) 0.23096(17) 0.37810(18) 0.0147(4) Uani d 1 . . C C2 0.8182(2) 0.38937(18) 0.21024(18) 0.0156(4) Uani d 1 . . C C3 0.4579(2) 0.25575(17) 0.14205(18) 0.0152(4) Uani d 1 . . C C11 0.7890(3) 0.13553(18) 0.3356(2) 0.0189(4) Uani d 1 . . H H11A 0.896288 0.176237 0.332015 0.028 Uiso calc 1 . . H H11B 0.733736 0.091959 0.257732 0.028 Uiso calc 1 . . H H11C 0.803183 0.077662 0.390133 0.028 Uiso calc 1 . . C C12 0.5282(3) 0.16507(19) 0.4010(2) 0.0187(4) Uani d 1 . . H H12A 0.556046 0.121650 0.466725 0.028 Uiso calc 1 . . H H12B 0.472365 0.106869 0.331072 0.028 Uiso calc 1 . . H H12C 0.456061 0.224697 0.419971 0.028 Uiso calc 1 . . C C13 0.7792(3) 0.3055(2) 0.49633(19) 0.0204(4) Uani d 1 . . H H13A 0.806888 0.250522 0.552104 0.031 Uiso calc 1 . . H H13B 0.710742 0.362704 0.526409 0.031 Uiso calc 1 . . H H13C 0.879701 0.350796 0.485668 0.031 Uiso calc 1 . . C C21 0.8590(3) 0.2910(2) 0.1190(2) 0.0210(4) Uani d 1 . . H H21A 0.959839 0.320758 0.096282 0.031 Uiso calc 1 . . H H21B 0.769214 0.272475 0.049961 0.031 Uiso calc 1 . . H H21C 0.873861 0.217124 0.152734 0.031 Uiso calc 1 . . C C22 0.9645(3) 0.4278(2) 0.3140(2) 0.0217(4) Uani d 1 . . H H22A 1.055508 0.469794 0.288068 0.033 Uiso calc 1 . . H H22B 0.998283 0.355582 0.344279 0.033 Uiso calc 1 . . H H22C 0.933090 0.482692 0.375708 0.033 Uiso calc 1 . . C C23 0.7922(3) 0.50296(19) 0.1537(2) 0.0198(4) Uani d 1 . . H H23A 0.785061 0.571139 0.213648 0.030 Uiso calc 1 . . H H23B 0.690694 0.486182 0.093839 0.030 Uiso calc 1 . . H H23C 0.884367 0.523857 0.117485 0.030 Uiso calc 1 . . C C31 0.4816(3) 0.12534(18) 0.0939(2) 0.0209(4) Uani d 1 . . H H31A 0.392796 0.091382 0.026551 0.031 Uiso calc 1 . . H H31B 0.480460 0.074977 0.154879 0.031 Uiso calc 1 . . H H31C 0.586512 0.126580 0.069678 0.031 Uiso calc 1 . . C C32 0.2951(2) 0.25318(19) 0.1836(2) 0.0186(4) Uani d 1 . . H H32A 0.277011 0.336554 0.210355 0.028 Uiso calc 1 . . H H32B 0.299746 0.207114 0.248201 0.028 Uiso calc 1 . . H H32C 0.205260 0.214234 0.118818 0.028 Uiso calc 1 . . C C33 0.4420(3) 0.32898(19) 0.04080(19) 0.0191(4) Uani d 1 . . H H33A 0.538213 0.325449 0.005922 0.029 Uiso calc 1 . . H H33B 0.434062 0.413848 0.070728 0.029 Uiso calc 1 . . H H33C 0.343501 0.294182 -0.018603 0.029 Uiso calc 1 . . C C99 1.0588(4) 0.8679(2) 0.2453(2) 0.0322(6) Uani d 1 . . H H99A 0.963855 0.820052 0.262990 0.039 Uiso calc 1 . . H H99B 1.141490 0.813027 0.234783 0.039 Uiso calc 1 . . Cl Cl4 1.14230(7) 0.98659(5) 0.36326(5) 0.02400(11) Uani d 1 . . Cl Cl5 0.99590(10) 0.92468(7) 0.11422(6) 0.04378(17) 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 Au1 0.01635(4) 0.01008(3) 0.01700(5) 0.00177(2) 0.00743(3) -0.00052(2) P1 0.0114(2) 0.0111(2) 0.0110(2) 0.00285(16) 0.00292(18) 0.00101(17) S1 0.0220(2) 0.0139(2) 0.0133(2) 0.00565(17) 0.00704(19) 0.00088(17) Cl1 0.0464(3) 0.0118(2) 0.0372(3) 0.0048(2) 0.0158(3) 0.0055(2) Cl2 0.0202(2) 0.0244(3) 0.0320(3) -0.00319(19) 0.0049(2) -0.0094(2) Cl3 0.0174(2) 0.0178(2) 0.0199(3) 0.00508(17) 0.00395(19) 0.00340(18) C1 0.0158(9) 0.0145(8) 0.0148(10) 0.0040(7) 0.0026(8) 0.0052(7) C2 0.0149(9) 0.0168(9) 0.0174(11) 0.0031(7) 0.0079(8) 0.0041(7) C3 0.0148(9) 0.0131(8) 0.0157(10) 0.0031(7) 0.0012(8) -0.0016(7) C11 0.0204(10) 0.0179(9) 0.0206(11) 0.0084(8) 0.0043(8) 0.0063(8) C12 0.0190(9) 0.0193(9) 0.0197(11) 0.0018(7) 0.0063(8) 0.0071(8) C13 0.0225(10) 0.0235(10) 0.0150(11) 0.0048(8) 0.0008(9) 0.0054(8) C21 0.0214(10) 0.0226(10) 0.0229(12) 0.0087(8) 0.0117(9) 0.0034(8) C22 0.0152(9) 0.0253(10) 0.0239(12) -0.0011(8) 0.0044(9) 0.0047(9) C23 0.0231(10) 0.0186(9) 0.0212(12) 0.0036(8) 0.0109(9) 0.0058(8) C31 0.0230(10) 0.0152(9) 0.0208(12) 0.0048(8) -0.0004(9) -0.0037(8) C32 0.0114(8) 0.0190(9) 0.0237(12) 0.0019(7) 0.0012(8) 0.0013(8) C33 0.0217(10) 0.0204(10) 0.0144(11) 0.0069(8) 0.0011(8) 0.0010(8) C99 0.0485(15) 0.0211(11) 0.0241(13) 0.0000(10) 0.0032(12) 0.0043(9) Cl4 0.0240(2) 0.0242(2) 0.0232(3) 0.00542(19) 0.0015(2) 0.0053(2) Cl5 0.0588(5) 0.0443(4) 0.0230(3) 0.0033(3) -0.0035(3) 0.0075(3) 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' Cl Cl 0.1484 0.1585 '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 Cl3 Au1 Cl2 . . 176.996(18) y Cl3 Au1 Cl1 . . 88.53(2) y Cl2 Au1 Cl1 . . 89.55(2) y Cl3 Au1 S1 . . 93.402(18) y Cl2 Au1 S1 . . 88.30(2) y Cl1 Au1 S1 . . 174.441(19) y C3 P1 C2 . . 112.33(9) y C3 P1 C1 . . 111.29(9) y C2 P1 C1 . . 111.38(9) y C3 P1 S1 . . 110.17(6) y C2 P1 S1 . . 111.66(6) y C1 P1 S1 . . 99.33(6) y P1 S1 Au1 . . 117.50(3) y C12 C1 C11 . . 108.93(16) ? C12 C1 C13 . . 106.51(17) ? C11 C1 C13 . . 109.07(17) ? C12 C1 P1 . . 110.11(14) ? C11 C1 P1 . . 110.82(14) ? C13 C1 P1 . . 111.28(13) ? C22 C2 C23 . . 106.45(17) ? C22 C2 C21 . . 110.01(17) ? C23 C2 C21 . . 108.11(17) ? C22 C2 P1 . . 109.39(14) ? C23 C2 P1 . . 111.29(13) ? C21 C2 P1 . . 111.46(14) ? C31 C3 C33 . . 108.18(17) ? C31 C3 C32 . . 109.39(16) ? C33 C3 C32 . . 106.69(17) ? C31 C3 P1 . . 112.55(14) ? C33 C3 P1 . . 109.73(13) ? C32 C3 P1 . . 110.12(14) ? 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 ? C2 C23 H23A . . 109.5 ? C2 C23 H23B . . 109.5 ? H23A C23 H23B . . 109.5 ? C2 C23 H23C . . 109.5 ? H23A C23 H23C . . 109.5 ? H23B C23 H23C . . 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 ? C3 C33 H33A . . 109.5 ? C3 C33 H33B . . 109.5 ? H33A C33 H33B . . 109.5 ? C3 C33 H33C . . 109.5 ? H33A C33 H33C . . 109.5 ? H33B C33 H33C . . 109.5 ? Cl4 C99 Cl5 . . 111.42(13) ? Cl4 C99 H99A . . 109.3 ? Cl5 C99 H99A . . 109.3 ? Cl4 C99 H99B . . 109.3 ? Cl5 C99 H99B . . 109.3 ? H99A C99 H99B . . 108.0 ? 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 Au1 Cl3 . 2.2860(5) y Au1 Cl2 . 2.2894(6) y Au1 Cl1 . 2.3013(5) y Au1 S1 . 2.3323(5) y P1 C3 . 1.888(2) y P1 C2 . 1.8906(19) y P1 C1 . 1.906(2) y P1 S1 . 2.0658(6) y C1 C12 . 1.537(3) ? C1 C11 . 1.540(3) ? C1 C13 . 1.541(3) ? C2 C22 . 1.536(3) ? C2 C23 . 1.540(3) ? C2 C21 . 1.542(3) ? C3 C31 . 1.538(3) ? C3 C33 . 1.542(3) ? C3 C32 . 1.542(3) ? 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 ? C23 H23A . 0.9800 ? C23 H23B . 0.9800 ? C23 H23C . 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 ? C33 H33A . 0.9800 ? C33 H33B . 0.9800 ? C33 H33C . 0.9800 ? C99 Cl4 . 1.760(3) ? C99 Cl5 . 1.770(3) ? C99 H99A . 0.9900 ? C99 H99B . 0.9900 ? 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 C23 H23A Au1 . 0.98 2.69 3.438(2) 133.6 yes C13 H13B S1 . 0.98 2.61 3.131(2) 113.6 yes C32 H32A S1 . 0.98 2.83 3.323(2) 111.9 yes C23 H23A Cl2 . 0.98 2.82 3.778(2) 167.5 yes C32 H32A Cl3 . 0.98 2.88 3.759(2) 150.3 yes C33 H33B Cl3 . 0.98 2.73 3.623(2) 151.5 yes C99 H99A Cl2 . 0.99 2.84 3.749(3) 152.7 yes C99 H99B Cl3 1_655 0.99 2.96 3.903(3) 159.9 yes C22 H22A Cl3 1_655 0.98 2.82 3.791(2) 171.2 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 C3 P1 S1 Au1 . . . . -78.75(7) y C2 P1 S1 Au1 . . . . 46.80(8) y C1 P1 S1 Au1 . . . . 164.36(6) y Cl3 Au1 S1 P1 . . . . 82.19(3) y Cl2 Au1 S1 P1 . . . . -100.28(3) y C3 P1 C1 C12 . . . . -41.56(16) ? C2 P1 C1 C12 . . . . -167.75(13) ? S1 P1 C1 C12 . . . . 74.48(14) ? C3 P1 C1 C11 . . . . 79.02(16) ? C2 P1 C1 C11 . . . . -47.17(16) ? S1 P1 C1 C11 . . . . -164.93(13) ? C3 P1 C1 C13 . . . . -159.43(13) ? C2 P1 C1 C13 . . . . 74.39(16) ? S1 P1 C1 C13 . . . . -43.38(14) ? C3 P1 C2 C22 . . . . -168.80(13) ? C1 P1 C2 C22 . . . . -43.18(16) ? S1 P1 C2 C22 . . . . 66.86(15) ? C3 P1 C2 C23 . . . . 73.86(16) ? C1 P1 C2 C23 . . . . -160.53(14) ? S1 P1 C2 C23 . . . . -50.49(16) ? C3 P1 C2 C21 . . . . -46.91(17) ? C1 P1 C2 C21 . . . . 78.70(17) ? S1 P1 C2 C21 . . . . -171.26(13) ? C2 P1 C3 C31 . . . . 77.86(17) ? C1 P1 C3 C31 . . . . -47.81(17) ? S1 P1 C3 C31 . . . . -156.98(13) ? C2 P1 C3 C33 . . . . -42.66(16) ? C1 P1 C3 C33 . . . . -168.32(13) ? S1 P1 C3 C33 . . . . 82.51(13) ? C2 P1 C3 C32 . . . . -159.80(13) ? C1 P1 C3 C32 . . . . 74.54(15) ? S1 P1 C3 C32 . . . . -34.64(15) ?