#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/30/2223039.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_2223039_Fobs loop_ _publ_author_name 'Kahn, Michael I.' 'Golen, James A.' 'Rheingold, Arnold L.' 'Doerrer, Linda H.' _publ_section_title ; Bromido(2,2':6',2''-terpyridine)platinum(II) dibromidoaurate(I) dimethyl sulfoxide solvate ; _journal_coeditor_code CV2602 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1135 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 81.905 _cell_angle_beta 87.675 _cell_angle_gamma 68.532 _cell_length_a 8.1463 _cell_length_b 10.0930 _cell_length_c 13.9624 _exptl_crystal_F_000 852.00 _reflns_d_resolution_high 0.7523 _[local]_cod_data_source_file cv2602Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' lhd78 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 531.09 _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 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56.30 o 10 1 0 61.73 -14.07 33.25 o -9 2 0 25.31 32.76 47.56 o -7 2 0 1603.32 1579.75 73.77 o -6 2 0 278.95 251.40 29.85 o -5 2 0 24.24 54.11 16.02 o -4 2 0 2880.83 3193.61 78.23 o -3 2 0 6660.95 7059.22 148.92 o -2 2 0 11443.99 12946.23 185.54 o -1 2 0 11476.94 12609.75 357.17 o 0 2 0 493.51 578.52 16.82 o 1 2 0 15099.56 16134.43 364.85 o 2 2 0 35442.70 37240.57 646.81 o 3 2 0 8124.39 9299.16 176.48 o 4 2 0 3739.15 3744.04 85.10 o 5 2 0 4695.38 5145.90 136.13 o 6 2 0 6945.12 7683.14 178.36 o 7 2 0 4238.40 4138.30 113.48 o 8 2 0 1849.28 1687.70 70.84 o 9 2 0 112.45 114.51 32.54 o 10 2 0 2261.83 2120.65 115.51 o -8 3 0 6477.24 5946.50 271.30 o -7 3 0 8961.71 8382.37 327.11 o -6 3 0 13110.17 13008.33 495.64 o -5 3 0 5744.38 6301.31 186.97 o -4 3 0 28999.36 32786.09 504.28 o -3 3 0 30685.48 33434.26 556.78 o -2 3 0 53060.16 55719.80 1021.02 o -1 3 0 8301.70 9547.01 153.52 o 0 3 0 53090.87 54610.67 937.91 o 1 3 0 43678.46 49711.35 857.35 o 2 3 0 85192.91 81145.55 1393.65 o 3 3 0 14735.44 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3958.99 63.47 o 1 5 0 3320.62 3150.66 61.30 o 2 5 0 2.77 2.52 10.08 o 3 5 0 6420.21 7038.02 161.86 o 4 5 0 4532.07 4731.41 112.13 o 5 5 0 1085.27 1162.13 48.04 o 6 5 0 114.84 102.10 22.30 o 7 5 0 106.21 122.52 27.66 o 8 5 0 2212.31 2126.29 140.87 o 9 5 0 523.39 488.41 55.08 o 10 5 0 243.80 220.95 39.53 o -7 6 0 1754.93 1375.91 160.40 o -6 6 0 4529.14 4122.15 275.42 o -5 6 0 1553.07 1290.25 137.59 o -4 6 0 10569.43 11116.48 464.46 o -3 6 0 8304.76 9104.54 403.07 o -2 6 0 7825.81 8496.18 232.96 o -1 6 0 2616.70 3119.89 80.71 o 0 6 0 33765.17 35242.31 624.80 o 1 6 0 8050.63 8454.61 140.26 o 2 6 0 11144.81 11863.39 229.58 o 3 6 0 2843.55 3181.48 84.79 o 4 6 0 25216.63 29124.95 533.13 o 5 6 0 10520.38 11422.12 236.36 o 6 6 0 8496.79 8819.92 264.50 o 7 6 0 424.00 420.13 43.80 o 8 6 0 9091.67 8954.58 287.80 o 9 6 0 3443.77 3219.19 148.27 o 10 6 0 1882.88 1820.71 115.75 o -6 7 0 1123.65 1077.19 144.63 o -5 7 0 321.65 321.29 90.51 o -4 7 0 88.37 152.88 69.89 o -3 7 0 1153.84 1143.92 57.03 o -2 7 0 2742.68 2859.20 80.81 o -1 7 0 129.28 106.36 24.15 o 0 7 0 90.64 71.09 25.24 o 1 7 0 7397.96 7749.54 298.36 o 2 7 0 713.72 667.49 35.17 o 3 7 0 276.78 270.02 27.03 o 4 7 0 90.91 97.21 22.65 o 5 7 0 12420.92 13784.39 281.90 o 6 7 0 19.10 12.97 19.53 o 7 7 0 1187.29 1104.94 106.65 o 8 7 0 534.11 448.93 62.36 o 9 7 0 2960.56 2849.37 140.26 o 10 7 0 34.50 44.65 45.62 o -5 8 0 1104.71 1072.58 95.61 o -4 8 0 11.66 33.73 35.91 o -3 8 0 3529.92 3470.11 160.40 o -2 8 0 907.22 881.54 43.99 o -1 8 0 3409.99 3704.11 99.93 o 0 8 0 359.40 374.44 30.90 o 1 8 0 6492.46 7160.07 221.80 o 2 8 0 104.89 113.81 32.27 o 3 8 0 2569.13 2824.13 123.76 o 4 8 0 227.64 286.68 49.62 o 5 8 0 6674.01 7447.65 212.33 o 6 8 0 35.27 47.58 33.97 o 7 8 0 106.84 104.96 28.75 o 8 8 0 371.46 338.52 55.81 o 9 8 0 1745.09 1713.94 111.38 o 10 8 0 141.62 191.22 57.51 o -4 9 0 1017.28 983.52 94.64 o -3 9 0 2345.53 2299.98 134.68 o -2 9 0 6489.65 7121.37 165.91 o -1 9 0 149.95 194.15 29.43 o 0 9 0 5358.29 5456.00 154.58 o 1 9 0 4222.42 4227.95 152.88 o 2 9 0 12766.16 13841.61 399.18 o 3 9 0 467.74 465.92 56.06 o 4 9 0 5103.05 5266.07 194.37 o 5 9 0 6018.17 6778.60 239.27 o 6 9 0 14144.52 16045.29 332.26 o 7 9 0 375.36 298.22 41.24 o 8 9 0 4302.66 4830.00 203.11 o 9 9 0 3661.21 3914.43 184.18 o -3 10 0 112.26 97.07 46.35 o -2 10 0 212.59 195.10 51.44 o -1 10 0 23.27 12.38 23.02 o 0 10 0 250.63 197.77 38.10 o 1 10 0 985.04 926.01 73.04 o 2 10 0 183.78 172.53 41.74 o 3 10 0 593.13 559.10 60.67 o 4 10 0 23.75 -3.15 31.30 o 5 10 0 2017.10 2127.20 121.82 o 6 10 0 18.40 23.30 40.77 o 7 10 0 1015.29 1083.98 91.73 o 8 10 0 398.09 459.83 49.19 o 9 10 0 1230.10 1234.44 104.83 o -1 11 0 1510.29 1810.04 97.31 o 0 11 0 2.91 11.16 34.94 o 1 11 0 908.55 1017.98 77.65 o 2 11 0 672.10 661.50 67.70 o 3 11 0 2057.17 2185.44 122.79 o 4 11 0 528.59 530.22 67.95 o 5 11 0 148.66 164.04 51.44 o 6 11 0 151.83 198.26 57.03 o 7 11 0 350.94 336.82 64.79 o 0 12 0 1841.10 1997.37 114.05 o 1 12 0 1492.24 1608.14 103.62 o 2 12 0 5216.63 5888.51 226.41 o 3 12 0 1905.33 2150.01 124.00 o 4 12 0 3243.04 3718.84 173.99 o 5 12 0 2060.07 2163.36 135.16 o 6 12 0 5558.96 6277.50 251.64 o 7 12 0 1549.84 1646.97 122.06 o -7 -12 1 3559.61 3695.79 192.19 o -6 -12 1 3461.19 3936.51 197.29 o -5 -12 1 7666.51 8657.80 313.52 o -4 -12 1 1523.33 1687.98 115.75 o -3 -12 1 4823.97 5246.17 214.52 o -2 -12 1 4321.33 4950.36 207.72 o -1 -12 1 5932.30 6562.39 243.39 o 0 -12 1 1176.14 1194.15 90.76 o -8 -11 1 48.45 71.34 52.66 o -7 -11 1 964.63 948.33 95.12 o -6 -11 1 93.13 91.24 50.72 o -5 -11 1 113.10 143.41 52.17 o -4 -11 1 52.04 29.12 36.40 o -3 -11 1 374.54 376.62 63.34 o -2 -11 1 1162.36 1192.94 89.06 o -1 -11 1 3.03 10.92 32.76 o 0 -11 1 174.34 144.63 40.28 o 1 -11 1 18.46 3.82 38.34 o -9 -10 1 160.23 104.83 58.72 o -8 -10 1 1008.43 1167.46 96.34 o -7 -10 1 455.75 407.68 69.16 o -6 -10 1 486.15 438.25 70.13 o -5 -10 1 24.72 50.96 39.31 o -4 -10 1 698.22 777.98 75.95 o -3 -10 1 2341.88 2420.58 124.24 o -2 -10 1 1.49 -16.02 29.61 o -1 -10 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52.66 o -10 0 1 909.55 902.23 72.31 o -9 0 1 2023.01 1983.06 98.76 o -8 0 1 4484.35 4675.22 129.55 o -7 0 1 19576.46 20371.73 624.38 o -6 0 1 3052.15 3173.83 89.79 o -5 0 1 23217.30 24562.73 472.05 o -4 0 1 15722.37 18305.18 463.73 o -3 0 1 71222.90 72178.23 1747.67 o -2 0 1 37028.40 39216.75 683.76 o -1 0 1 76465.38 68322.53 1660.80 o 0 0 1 37188.70 23284.92 411.04 o 1 0 1 116494.52 77842.02 1742.09 o 2 0 1 38352.52 36739.95 901.01 o 3 0 1 42586.52 42048.98 619.48 o 4 0 1 22814.64 24824.01 404.75 o 5 0 1 45871.72 48369.66 1379.06 o 6 0 1 10993.61 12336.60 337.06 o 7 0 1 14660.68 16030.44 433.40 o 8 0 1 7811.61 7743.44 238.30 o 9 0 1 7492.24 7621.86 248.25 o 10 0 1 2750.76 2558.17 125.22 o -8 1 1 34.99 17.71 24.02 o -7 1 1 5451.79 5784.40 240.24 o -6 1 1 3534.98 3505.19 137.59 o -5 1 1 1387.06 1477.62 36.62 o -4 1 1 343.89 408.81 35.77 o -3 1 1 27328.54 30483.64 755.42 o -2 1 1 1527.91 1650.37 30.13 o 0 1 1 4351.21 4721.32 81.85 o 1 1 1 11225.22 10829.40 191.67 o 2 1 1 9003.86 9597.90 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