#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2215628.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_2215628_Fobs loop_ _publ_author_name 'Song, Ah-Ran' 'Hwang, In-Chul' 'Ha, Kwang' _publ_section_title ; Bromido[(1,2,5,6-\h)-1,3,5,7-cyclooctatetraene]methylplatinum(II) ; _journal_coeditor_code OM2159 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2484 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 97.928 _cell_angle_gamma 90.000 _cell_length_a 8.3637 _cell_length_b 10.1098 _cell_length_c 11.6897 _exptl_crystal_F_000 712.00 _reflns_d_resolution_high 0.7994 _[local]_cod_data_source_file om2159Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cotPtMeBr' _shelx_refln_list_code 4 _shelx_f_calc_maximum 336.54 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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 2770.28 3480.01 133.56 o 4 0 0 36885.98 47020.66 825.86 o 6 0 0 15882.00 16135.35 716.05 o 8 0 0 1628.03 1449.00 362.25 o 10 0 0 1081.83 1118.66 384.77 o 1 1 0 1467.94 808.06 37.63 o 2 1 0 16128.25 10775.69 259.38 o 3 1 0 1612.05 2824.34 91.49 o 4 1 0 16269.65 16966.69 288.62 o 5 1 0 406.03 261.18 74.25 o 6 1 0 8.81 2.44 67.53 o 7 1 0 3057.59 2910.53 475.81 o 8 1 0 8752.96 7294.06 424.19 o 9 1 0 22.78 -90.43 163.87 o 10 1 0 1862.39 1471.93 315.20 o 0 2 0 57622.59 51287.48 814.59 o 1 2 0 41126.43 51719.73 1050.39 o 2 2 0 15103.39 15272.46 372.80 o 3 2 0 42103.04 48219.93 768.09 o 4 2 0 15216.75 16847.70 305.82 o 5 2 0 2032.50 2871.22 108.75 o 6 2 0 8193.62 8174.37 241.95 o 7 2 0 5992.88 5744.84 476.74 o 8 2 0 17.79 29.69 159.59 o 9 2 0 38.62 74.43 167.89 o 10 2 0 847.25 904.57 270.08 o 1 3 0 14823.08 11178.63 160.60 o 2 3 0 27703.47 29965.92 265.18 o 3 3 0 1289.18 2130.42 85.31 o 4 3 0 2247.77 2582.83 98.72 o 5 3 0 10471.77 9166.83 204.25 o 6 3 0 3069.68 3400.09 159.87 o 7 3 0 6292.07 6680.78 384.14 o 8 3 0 895.01 1022.56 218.22 o 9 3 0 212.72 271.84 183.87 o 10 3 0 6.65 103.49 197.18 o 0 4 0 1922.04 3342.84 315.33 o 1 4 0 15080.93 13575.58 597.81 o 2 4 0 6.91 20.67 29.40 o 3 4 0 41104.70 43500.99 811.38 o 4 4 0 3568.48 4565.61 134.39 o 5 4 0 96.74 94.26 67.57 o 6 4 0 1907.65 1789.33 147.81 o 7 4 0 4858.24 4881.88 260.94 o 8 4 0 1530.33 1338.17 242.54 o 9 4 0 1667.74 1844.70 307.80 o 1 5 0 34717.76 31299.74 693.03 o 2 5 0 1554.92 2463.15 141.42 o 3 5 0 5020.54 5447.73 202.42 o 4 5 0 840.88 906.46 80.92 o 5 5 0 17342.71 18338.70 387.56 o 6 5 0 815.30 860.47 125.56 o 7 5 0 1297.30 1389.93 176.25 o 8 5 0 632.12 638.80 191.66 o 9 5 0 1096.29 1082.06 269.23 o 0 6 0 12599.14 11483.14 677.58 o 1 6 0 470.87 359.50 161.51 o 2 6 0 650.22 723.09 113.84 o 3 6 0 7324.41 6443.72 210.05 o 4 6 0 3107.19 3399.81 174.57 o 5 6 0 3635.63 3520.36 193.32 o 6 6 0 1272.08 1284.31 148.99 o 7 6 0 652.49 928.68 166.66 o 8 6 0 190.45 111.51 167.55 o 9 6 0 2951.04 3001.15 380.10 o 1 7 0 12144.32 9665.01 492.39 o 2 7 0 14202.13 14175.80 385.47 o 3 7 0 3099.56 3317.69 225.86 o 4 7 0 2808.25 2782.73 170.58 o 5 7 0 6497.51 6468.71 251.25 o 6 7 0 1268.88 1390.25 283.71 o 7 7 0 1.42 89.01 113.38 o 8 7 0 1677.28 1862.01 289.46 o 0 8 0 3087.68 2590.18 480.50 o 1 8 0 7.64 95.62 170.82 o 2 8 0 1666.12 1514.90 173.62 o 3 8 0 417.14 330.39 133.69 o 4 8 0 467.64 760.50 123.55 o 5 8 0 409.12 511.19 116.24 o 6 8 0 3798.91 4190.68 283.71 o 7 8 0 15.68 22.29 107.39 o 8 8 0 439.80 643.79 253.39 o 1 9 0 26.88 -34.52 185.45 o 2 9 0 13751.76 13464.12 431.79 o 3 9 0 125.61 127.29 114.12 o 4 9 0 2175.66 2498.86 258.80 o 5 9 0 66.00 102.21 146.09 o 6 9 0 1766.77 1636.08 242.34 o 7 9 0 56.55 141.94 143.05 o 0 10 0 2757.57 2224.18 534.93 o 1 10 0 17.13 24.42 210.22 o 2 10 0 473.91 481.97 230.41 o 3 10 0 49.37 88.73 190.26 o 4 10 0 389.12 619.37 233.61 o 5 10 0 428.72 386.94 205.21 o 6 10 0 1812.86 2169.75 518.04 o 1 11 0 1854.30 1871.54 378.87 o 2 11 0 1000.95 1282.54 339.83 o 3 11 0 720.22 799.20 290.21 o 4 11 0 631.51 676.56 264.30 o 5 11 0 1362.24 1831.40 346.45 o 0 12 0 1458.37 748.90 409.17 o 1 12 0 149.56 266.47 275.59 o 2 12 0 52.38 58.11 254.66 o 3 12 0 748.57 1128.73 354.75 o -9 0 1 2144.98 1766.20 435.45 o -7 0 1 3731.68 3650.66 441.08 o -5 0 1 316.77 459.96 118.90 o -3 0 1 1126.97 477.36 88.88 o -1 0 1 89038.14 83163.61 925.33 o 1 0 1 1632.80 5798.77 470.17 o 3 0 1 64455.82 67867.42 718.02 o 5 0 1 35500.29 40565.58 703.28 o 7 0 1 2969.85 3273.07 280.42 o 9 0 1 10382.21 10265.00 767.67 o -10 1 1 387.73 266.61 214.27 o -9 1 1 7449.97 5988.91 435.86 o -8 1 1 2279.49 2286.76 297.21 o -7 1 1 9.27 34.82 126.40 o -6 1 1 6644.85 6514.82 521.79 o -5 1 1 48671.53 49654.32 1398.48 o -4 1 1 4806.86 5930.40 270.92 o -3 1 1 19726.93 20054.28 232.28 o -2 1 1 8833.60 11466.14 211.73 o -1 1 1 19938.89 30373.56 611.22 o 0 1 1 1011.35 375.40 31.25 o 1 1 1 85120.06 93049.59 1869.61 o 2 1 1 16962.68 22655.52 606.54 o 3 1 1 90.44 44.41 27.77 o 4 1 1 74.89 55.67 36.86 o 5 1 1 8218.02 7721.82 178.11 o 6 1 1 199.45 318.77 94.38 o 7 1 1 2344.64 2427.26 209.30 o 8 1 1 10.19 -9.33 140.38 o 9 1 1 26.49 -137.72 155.79 o 10 1 1 11.44 53.02 182.45 o -10 2 1 401.15 502.97 223.39 o -9 2 1 1073.63 902.84 233.01 o -8 2 1 210.30 96.93 149.60 o -7 2 1 4906.96 4915.45 345.90 o -6 2 1 154.39 174.90 76.70 o -5 2 1 948.88 944.89 76.09 o -4 2 1 1868.04 1002.49 67.23 o -3 2 1 17636.90 17044.29 209.77 o -2 2 1 7232.21 10375.38 174.48 o -1 2 1 24478.78 23414.94 603.60 o 0 2 1 14002.57 8640.88 447.58 o 1 2 1 15.02 77.39 28.26 o 2 2 1 56780.94 68258.43 501.56 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27.42 53.76 51.46 o -4 4 1 18849.16 17507.13 258.89 o -3 4 1 10427.78 13543.90 212.50 o -2 4 1 920.91 1076.33 64.85 o -1 4 1 1621.64 1409.52 103.52 o 0 4 1 31747.26 27342.17 662.56 o 1 4 1 9041.42 10332.15 374.59 o 2 4 1 37209.20 40209.00 614.70 o 3 4 1 409.63 318.63 70.39 o 4 4 1 554.24 590.10 95.06 o 5 4 1 1481.64 1741.57 132.48 o 6 4 1 14622.02 15795.47 346.57 o 7 4 1 3.13 -17.82 75.72 o 8 4 1 1467.52 1618.66 261.30 o 9 4 1 470.93 164.75 167.05 o -9 5 1 1114.62 1177.34 275.07 o -8 5 1 2778.23 3016.75 332.13 o -7 5 1 112.08 103.23 131.80 o -6 5 1 2890.70 3061.61 219.95 o -5 5 1 4590.04 4775.17 159.42 o -4 5 1 96.07 78.22 53.26 o -3 5 1 579.01 566.35 68.13 o -2 5 1 24098.47 22819.97 272.63 o -1 5 1 9585.51 11864.29 281.54 o 0 5 1 16791.66 15479.96 506.57 o 1 5 1 781.94 512.89 160.80 o 2 5 1 7488.95 6648.14 184.33 o 3 5 1 2513.41 3201.19 152.81 o 4 5 1 21749.02 20914.95 387.04 o 5 5 1 66.74 114.60 76.35 o 6 5 1 886.24 906.33 128.57 o 7 5 1 583.61 533.02 133.60 o 8 5 1 4267.41 4264.88 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