#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:30:06 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180786 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/17/2011781.hkl $ #------------------------------------------------------------------------------ # # 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_2011781_Fobs loop_ _publ_author_name 'Sloufova, Ivana' 'Slouf, Miroslav' _publ_section_title ; (Acridine-N)trichlorogold(III) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 248 _journal_page_last 249 _journal_volume 57 _journal_year 2001 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 71.115 _cell_angle_beta 84.066 _cell_angle_gamma 67.921 _cell_length_a 7.6207 _cell_length_b 9.5869 _cell_length_c 10.6829 _exptl_crystal_F_000 448.00 _reflns_d_resolution_high 0.8390 _cod_data_source_file av1055Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 'E AuAKR in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 193.87 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 1240.42 1207.78 44.46 o 3 0 0 9522.89 9185.40 308.94 o 4 0 0 13229.57 13225.68 365.82 o 5 0 0 468.55 463.55 23.91 o 6 0 0 347.57 370.98 26.85 o 7 0 0 2775.17 2849.17 129.09 o 8 0 0 963.53 966.65 59.80 o -8 1 0 610.44 595.09 57.45 o -7 1 0 24.73 16.75 13.30 o -6 1 0 893.55 886.63 41.99 o -5 1 0 2295.97 2322.08 74.30 o -4 1 0 6386.22 6410.94 258.47 o -3 1 0 501.39 479.96 18.42 o -2 1 0 3135.53 2959.46 100.50 o -1 1 0 18811.52 18886.79 708.04 o 2 1 0 28331.44 29400.82 968.97 o 3 1 0 22155.21 21498.66 661.52 o 4 1 0 1380.50 1346.24 60.79 o 5 1 0 563.29 560.50 23.22 o 6 1 0 4124.26 4355.58 149.84 o 7 1 0 1944.74 2017.87 102.83 o 8 1 0 2.19 9.29 15.48 o -7 2 0 1922.34 1852.14 107.09 o -6 2 0 1489.05 1562.61 115.19 o -5 2 0 726.22 707.63 33.48 o -4 2 0 1317.14 1325.99 44.31 o -3 2 0 5146.42 4904.67 144.07 o -2 2 0 5070.82 5234.13 171.46 o -1 2 0 12.36 12.84 7.42 o 0 2 0 21078.72 21646.32 817.83 o 1 2 0 14514.00 14885.25 785.05 o 2 2 0 35846.24 40590.93 1516.48 o 3 2 0 68.62 111.42 18.12 o 4 2 0 6208.09 6208.18 204.55 o 5 2 0 3668.71 3737.83 103.50 o 6 2 0 1715.49 1763.33 113.73 o 7 2 0 180.73 177.41 18.24 o 8 2 0 916.28 883.26 55.93 o -7 3 0 1260.90 1141.05 83.52 o -6 3 0 1.09 -19.48 19.48 o -5 3 0 1255.97 1345.47 74.35 o -4 3 0 8233.15 8241.31 248.41 o -3 3 0 3364.62 3194.55 102.24 o -2 3 0 599.94 678.09 26.93 o -1 3 0 6799.86 6235.31 196.00 o 0 3 0 15140.94 14572.70 511.03 o 1 3 0 590.75 566.02 28.93 o 2 3 0 3033.14 3008.68 155.50 o 3 3 0 22322.61 22745.34 711.93 o 4 3 0 21817.64 23070.64 746.42 o 5 3 0 398.76 391.84 22.33 o 6 3 0 1004.77 1030.28 39.94 o 7 3 0 4227.25 4437.40 191.26 o 8 3 0 945.58 963.70 55.28 o -6 4 0 884.72 876.43 57.95 o -5 4 0 3007.02 3101.71 129.76 o -4 4 0 1100.65 1021.85 92.20 o -3 4 0 232.74 205.42 22.68 o -2 4 0 3762.33 3743.03 174.66 o -1 4 0 8339.02 7440.19 311.07 o 0 4 0 4173.09 4223.36 130.06 o 1 4 0 1211.85 1332.80 55.76 o 2 4 0 7446.87 7464.93 342.57 o 3 4 0 9265.53 9639.79 437.97 o 4 4 0 1040.14 1109.76 66.93 o 5 4 0 2126.74 2137.93 94.76 o 6 4 0 6508.17 7095.67 225.72 o 7 4 0 1805.29 1889.40 86.56 o 8 4 0 14.92 -5.56 13.11 o 9 4 0 432.01 405.66 39.31 o -5 5 0 54.13 31.70 46.05 o -4 5 0 2218.09 2175.90 100.74 o -3 5 0 3615.25 3531.90 138.59 o -2 5 0 2832.63 2735.87 207.30 o -1 5 0 59.36 60.14 16.01 o 0 5 0 2361.33 2282.32 78.03 o 1 5 0 2293.39 2270.71 78.68 o 2 5 0 2474.08 2501.80 139.18 o 3 5 0 953.58 1018.26 39.03 o 4 5 0 4246.91 4291.70 188.38 o 5 5 0 2456.65 2353.71 70.95 o 6 5 0 2671.91 2641.85 81.13 o 7 5 0 764.75 761.74 41.17 o 8 5 0 665.90 699.08 45.13 o -5 6 0 914.67 991.11 70.36 o -4 6 0 2246.09 2149.21 194.09 o -3 6 0 803.93 826.64 92.24 o -2 6 0 632.88 711.49 42.72 o -1 6 0 6030.99 6313.04 284.70 o 0 6 0 6707.76 7091.20 248.74 o 1 6 0 725.61 714.97 35.42 o 2 6 0 112.11 112.44 8.94 o 3 6 0 6185.75 6579.16 206.43 o 4 6 0 1446.76 1480.29 63.55 o 5 6 0 14.03 -6.20 13.56 o 6 6 0 1188.16 1151.01 45.98 o 7 6 0 2446.84 2411.36 86.29 o 8 6 0 497.65 438.78 24.93 o -4 7 0 60.81 102.59 34.37 o -3 7 0 383.54 318.44 39.46 o -2 7 0 3026.01 3243.30 195.94 o -1 7 0 3091.25 3030.05 152.43 o 0 7 0 44.76 38.40 17.88 o 1 7 0 1132.39 1227.08 41.44 o 2 7 0 4742.07 4784.23 333.43 o 3 7 0 2193.03 2122.76 110.00 o 4 7 0 51.61 48.18 23.21 o 5 7 0 1202.52 1115.06 60.20 o 6 7 0 2868.47 3076.17 151.71 o 7 7 0 344.88 391.72 39.21 o 8 7 0 23.25 9.29 7.49 o -3 8 0 602.10 638.58 130.64 o -2 8 0 305.23 257.90 39.19 o -1 8 0 120.35 126.99 24.57 o 0 8 0 2462.58 2455.11 111.21 o 1 8 0 2054.55 2118.87 93.77 o 2 8 0 892.79 831.37 78.75 o 3 8 0 362.40 311.78 42.75 o 4 8 0 549.27 584.14 37.84 o 5 8 0 1046.62 1097.95 58.74 o 6 8 0 106.79 97.81 19.87 o 7 8 0 276.03 251.23 50.26 o 8 8 0 234.64 228.05 41.87 o -1 9 0 1272.40 1218.48 103.48 o 0 9 0 981.45 890.80 49.73 o 1 9 0 17.88 10.74 13.77 o 2 9 0 1357.32 1280.38 99.33 o 3 9 0 2270.46 2310.48 197.14 o 4 9 0 636.58 630.33 75.84 o 5 9 0 2.22 -0.96 17.69 o 6 9 0 541.23 537.39 99.70 o 7 9 0 577.55 535.97 72.21 o 0 10 0 13.73 3.79 13.00 o 1 10 0 522.03 497.33 40.09 o 2 10 0 1696.88 1456.75 156.47 o 3 10 0 285.03 146.60 49.58 o 4 10 0 64.53 105.66 30.35 o 5 10 0 846.33 737.84 60.03 o 6 10 0 636.17 579.23 58.42 o -5 -10 1 489.21 429.26 55.48 o -4 -10 1 544.37 480.82 51.97 o -3 -10 1 388.27 251.27 59.33 o -2 -10 1 22.32 22.38 9.06 o -1 -10 1 521.10 486.57 32.61 o -6 -9 1 1156.08 1122.67 83.06 o -5 -9 1 804.34 728.39 69.09 o -4 -9 1 45.15 37.78 38.88 o -3 -9 1 474.40 397.04 64.04 o -2 -9 1 1788.29 1839.51 143.69 o -1 -9 1 1215.40 1118.90 63.50 o 0 -9 1 25.96 42.69 40.57 o 1 -9 1 398.41 424.51 51.02 o -7 -8 1 648.16 620.26 46.43 o -6 -8 1 1221.89 1184.59 68.65 o -5 -8 1 5.03 -2.38 36.36 o -4 -8 1 679.66 640.80 47.66 o -3 -8 1 2489.58 2367.34 225.38 o -2 -8 1 1017.61 932.20 91.47 o -1 -8 1 32.10 27.53 18.51 o 0 -8 1 1291.41 1213.35 84.29 o 1 -8 1 2409.18 2485.95 130.81 o 2 -8 1 403.98 384.48 124.64 o -8 -7 1 904.77 708.99 75.08 o -7 -7 1 610.50 584.57 61.77 o -6 -7 1 37.97 27.30 16.87 o -5 -7 1 1103.30 1017.69 67.73 o -4 -7 1 1622.32 1719.57 88.21 o -3 -7 1 368.80 459.90 46.30 o -2 -7 1 657.01 691.47 72.95 o -1 -7 1 1996.05 2182.29 102.59 o 0 -7 1 1625.87 1605.32 96.10 o 1 -7 1 308.23 232.60 42.92 o 2 -7 1 672.84 670.52 47.89 o 3 -7 1 1055.65 998.43 77.15 o 4 -7 1 675.57 700.42 66.64 o -8 -6 1 343.82 271.48 30.17 o -7 -6 1 665.94 654.93 45.80 o -6 -6 1 3882.07 4072.66 233.91 o -5 -6 1 1857.48 1905.70 88.57 o -4 -6 1 106.33 131.36 39.51 o -3 -6 1 2862.77 2941.92 104.08 o -2 -6 1 5439.76 5681.19 210.73 o -1 -6 1 949.10 953.21 48.07 o 0 -6 1 181.93 201.77 31.18 o 1 -6 1 3481.30 3435.24 196.76 o 2 -6 1 2619.13 2609.26 118.79 o 3 -6 1 628.90 533.96 41.96 o 4 -6 1 151.89 92.84 30.21 o -8 -5 1 312.88 307.59 18.95 o -7 -5 1 3613.42 3688.79 135.65 o -6 -5 1 4599.83 4576.48 141.84 o -5 -5 1 1.94 8.39 7.65 o -4 -5 1 2339.16 2348.18 134.73 o -3 -5 1 9549.97 10265.54 275.54 o -2 -5 1 3123.15 2921.15 155.26 o -1 -5 1 548.78 625.42 86.20 o 0 -5 1 4578.38 4611.46 162.15 o 1 -5 1 5631.13 5781.31 208.05 o 2 -5 1 56.15 62.70 18.99 o 3 -5 1 719.37 718.71 52.82 o 4 -5 1 3246.08 3375.35 162.55 o 5 -5 1 1198.93 1188.73 82.80 o -8 -4 1 541.55 559.23 32.86 o -7 -4 1 384.04 361.70 17.56 o -6 -4 1 299.52 305.11 21.78 o -5 -4 1 5219.56 5453.12 205.69 o -4 -4 1 6568.12 6458.76 218.64 o -3 -4 1 1972.38 2160.22 100.53 o -2 -4 1 2704.69 2709.16 144.10 o -1 -4 1 5124.91 5314.08 187.44 o 0 -4 1 7739.77 8402.62 260.74 o 1 -4 1 30.21 21.06 27.28 o 2 -4 1 1877.42 1775.31 95.23 o 3 -4 1 2780.79 2689.41 175.72 o 4 -4 1 1297.75 1341.16 61.60 o 5 -4 1 39.66 28.86 15.42 o 6 -4 1 787.88 735.61 52.84 o -8 -3 1 34.75 29.32 9.83 o -7 -3 1 1474.17 1582.03 68.30 o -6 -3 1 5125.51 5093.85 172.98 o -5 -3 1 1653.42 1663.34 57.33 o -4 -3 1 1045.77 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