#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/30/2013073.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_2013073_Fobs loop_ _publ_author_name 'Okabe, Nobuo' 'Muranishi, Yasunori' _publ_section_title ; Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m578 _journal_page_last m580 _journal_volume 58 _journal_year 2002 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_data_source_file gg1140IIsup3.hkl _[local]_cod_data_source_block II loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 0 0 2 15604.30 1110.15 14344.62 o 2 0 0 129.00 8.77 61.88 o 2 0 -2 5659.46 416.93 5486.62 o 0 1 1 9434.59 696.75 9195.62 o 1 1 0 652.80 50.60 657.64 o 1 0 -3 2967.09 205.63 2603.69 o 1 1 -1 511.65 37.89 470.12 o 1 1 1 259.21 23.44 301.36 o 2 0 2 171.13 10.95 52.01 o 1 0 3 19135.03 1446.20 19263.54 o 0 1 2 1349.04 102.30 1342.75 o 1 1 -2 105.91 10.93 99.67 o 3 0 -1 22.22 3.15 5.48 o 2 1 0 327.78 23.52 260.82 o 1 1 2 12502.74 919.88 12116.96 o 2 1 -1 8113.51 609.78 8111.29 o 2 1 1 776.00 61.21 801.53 o 3 0 1 287.09 30.23 425.27 o 0 0 4 110.11 9.88 37.01 o 2 1 -2 3760.51 266.86 3424.18 o 0 1 3 930.23 80.83 1119.46 o 1 1 -3 1430.56 100.85 1264.97 o 2 1 2 5594.28 415.88 5485.95 o 1 1 3 15617.79 1121.55 14586.57 o 2 0 -4 90.11 10.91 97.87 o 3 0 -3 3977.97 292.67 3830.09 o 2 1 -3 6.69 7.18 5.00 o 3 1 -1 85.91 8.54 79.50 o 3 1 0 8.09 7.33 8.26 o 3 1 -2 4353.34 336.74 4522.10 o 3 1 1 692.48 55.97 731.27 o 0 1 4 249.38 19.88 210.44 o 1 1 -4 223.42 22.99 300.91 o 4 0 0 2991.46 234.67 3160.86 o 1 0 -5 5737.82 428.60 5664.74 o 2 0 4 179.69 19.22 234.16 o 2 1 3 498.65 39.79 495.15 o 3 0 3 594.34 40.37 450.64 o 4 0 -2 4257.45 316.22 4156.14 o 1 1 4 17850.66 1268.70 16406.41 o 2 1 -4 3582.15 264.21 3452.27 o 3 1 -3 1433.65 102.49 1286.88 o 3 1 2 2153.14 171.65 2316.34 o 1 0 5 895.09 71.46 935.23 o 0 2 0 40.11 4.49 22.63 o 4 0 2 420.83 33.68 406.46 o 4 1 -1 -1.33 7.59 8.45 o 0 2 1 281.01 23.10 255.05 o 4 1 0 69.32 8.01 71.47 o 1 1 -5 1367.71 97.39 1212.00 o 2 1 4 51.91 6.19 43.66 o 0 1 5 1781.71 127.97 1618.61 o 1 2 0 586.58 44.13 533.35 o 1 2 -1 1842.81 147.53 1984.42 o 3 1 -4 1486.85 109.55 1397.48 o 3 0 -5 165.43 15.48 148.23 o 3 1 3 3.70 7.56 4.24 o 4 1 -2 63.78 8.02 67.33 o 1 2 1 11.91 8.11 14.75 o 4 1 1 3742.00 298.76 4060.76 o 4 0 -4 3697.42 273.79 3579.83 o 0 2 2 62.54 6.87 35.72 o 2 1 -5 1284.74 102.71 1363.68 o 0 0 6 48.47 5.69 49.44 o 1 1 5 2873.54 209.32 2698.09 o 1 2 -2 10.43 7.68 9.79 o 4 1 -3 1373.17 108.54 1435.10 o 2 2 0 6.13 7.22 4.98 o 1 2 2 212.12 19.27 191.90 o 2 2 -1 535.84 40.18 473.14 o 5 0 -1 754.67 64.54 864.64 o 2 0 -6 4548.25 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30.71 o 1 2 4 588.67 43.04 484.11 o 5 1 -3 1965.02 143.87 1832.72 o 4 1 -5 1314.05 99.58 1273.52 o 2 2 -4 59.19 7.53 78.61 o 3 2 -3 1356.60 107.27 1406.01 o 3 2 2 -7.28 9.00 1.06 o 3 1 -6 2367.05 186.63 2491.85 o 3 1 5 38.67 4.69 28.12 o 4 0 -6 5403.23 389.93 5034.37 o 5 0 3 7.27 6.18 33.86 o 1 0 7 2767.78 217.95 2913.64 o 5 1 2 419.84 33.34 379.25 o 4 1 4 170.32 16.53 132.99 o 2 1 6 2452.70 179.19 2290.52 o 5 0 -5 7968.33 573.76 7427.44 o 6 0 -2 897.49 67.22 826.15 o 6 0 0 678.78 59.71 793.53 o 5 1 -4 4194.82 313.53 4110.34 o 4 2 -1 37.59 4.92 36.42 o 3 0 -7 801.62 67.25 877.84 o 4 2 0 3882.02 291.39 3824.30 o 1 1 -7 2281.71 168.28 2159.70 o 1 2 -5 334.97 33.34 428.67 o 2 2 4 3294.41 250.59 3300.26 o 0 2 5 813.41 61.22 742.41 o 0 1 7 1340.37 103.87 1338.29 o 3 2 -4 253.24 21.32 209.69 o 4 2 -2 37.45 6.07 69.96 o 3 2 3 3116.62 231.22 2998.67 o 2 1 -7 163.07 17.93 190.37 o 4 2 1 1191.65 87.37 1079.56 o 2 2 -5 131.20 14.28 110.27 o 1 2 5 4604.96 339.18 4413.88 o 4 1 -6 48.93 5.45 36.84 o 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3 229.92 24.03 279.46 o 7 0 1 456.60 36.25 407.08 o 5 2 -4 61.54 7.33 57.38 o 2 3 -2 1266.46 91.80 1111.70 o 6 0 -6 51.77 6.62 62.74 o 0 3 3 1900.95 142.80 1824.33 o 1 0 -9 1896.83 152.07 2013.76 o 1 2 -7 12.88 8.95 14.13 o 6 0 4 313.87 29.45 334.53 o 1 3 -3 31.36 4.91 30.39 o 5 1 5 762.15 55.15 628.08 o 0 2 7 1.55 8.96 3.95 o 2 2 -7 8.04 3.97 0.46 o 2 3 2 11.52 4.27 6.95 o 7 1 -1 1641.32 117.86 1449.32 o 1 3 3 308.79 28.51 321.07 o 7 1 -2 908.66 77.07 1010.67 o 7 1 0 164.25 18.37 171.16 o 5 1 -7 17.57 4.32 14.56 o 2 1 8 27.98 5.11 29.93 o 2 3 -3 552.23 44.83 529.14 o 4 2 -6 1964.24 148.68 1906.79 o 5 2 3 1586.82 126.52 1652.30 o 1 2 7 1712.75 133.97 1737.07 o 3 3 0 137.86 16.40 131.60 o 3 3 -1 1262.96 97.21 1227.02 o 7 1 -3 556.97 46.19 553.82 o 4 1 -8 892.82 71.26 886.18 o 1 0 9 1443.28 107.83 1339.48 o 3 0 -9 2920.54 221.46 2882.09 o 6 2 -1 270.88 24.58 246.62 o 3 3 -2 2968.61 223.66 2905.03 o 3 3 1 255.58 22.47 208.61 o 5 2 -5 862.08 67.15 821.94 o 0 3 4 8.45 6.41 8.16 o 1 3 -4 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479.07 41.72 469.45 o 1 0 11 54.21 7.70 65.19 o 3 3 6 70.50 8.86 74.80 o 1 1 -11 -6.09 12.26 15.73 o 1 4 0 8.48 5.20 2.86 o 6 1 7 783.33 67.52 833.67 o 4 3 5 1649.24 129.37 1652.29 o 1 4 -1 1820.97 142.09 1821.17 o 2 1 -11 634.93 53.78 637.31 o 1 4 1 605.30 51.02 599.22 o 7 1 -8 433.40 42.85 508.05 o 8 2 -1 42.46 5.99 32.70 o 7 2 -6 357.22 31.94 336.81 o 8 2 -2 1904.31 149.51 1926.45 o 6 3 -3 270.04 27.76 280.56 o 0 1 11 559.60 47.13 536.37 o 6 3 1 588.17 50.64 596.24 o 9 0 1 1148.60 97.40 1256.82 o 0 4 2 684.75 54.61 629.87 o 5 1 -10 228.12 24.95 215.72 o 1 2 -10 188.81 20.29 160.48 o 8 2 0 884.05 73.14 903.36 o 1 4 -2 25.17 5.29 10.25 o 2 3 7 880.61 71.20 851.29 o 9 1 -2 1864.63 153.35 2026.22 o 2 2 -10 467.66 42.69 490.33 o 9 1 -1 1534.19 122.46 1567.29 o 8 2 -3 69.62 7.99 55.88 o 5 2 7 47.62 6.42 41.97 o 4 2 8 18.24 5.49 14.63 o 0 2 10 154.22 16.28 164.38 o 1 4 2 348.13 33.39 362.79 o 2 4 0 1357.92 109.33 1398.53 o 3 1 -11 59.60 6.97 41.93 o 2 4 -1 60.62 7.79 66.80 o 5 3 4 714.16 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3 -8 188.48 23.84 205.55 o 0 3 17 29.11 8.76 21.22 o 5 3 15 -23.92 20.34 0.34 o 9 5 -8 398.46 42.87 361.97 o 15 0 -7 74.71 9.82 71.79 o 15 1 -6 15.68 16.82 11.00 o 7 6 1 63.05 10.31 63.05 o 10 5 2 7.66 18.28 4.26 o 12 0 -14 59.55 10.13 60.30 o 9 5 5 14.52 10.52 7.71 o 15 1 1 7.53 17.13 5.99 o 6 6 -6 143.36 17.10 138.58 o 4 3 -17 22.41 17.94 22.34 o 1 6 -9 130.25 14.67 88.80 o 11 2 -14 53.03 9.66 40.05 o 6 6 4 121.85 14.55 114.35 o 9 0 -17 51.79 9.29 43.04 o 1 5 -13 44.71 10.13 49.10 o 2 5 -13 73.09 10.16 60.60 o 2 1 -19 121.40 14.84 123.56 o 14 1 -10 33.25 9.61 41.13 o 8 5 7 151.04 16.47 144.31 o 0 6 9 51.83 9.68 46.21 o 2 6 -9 9.96 17.89 0.51 o 10 4 -11 1.26 16.31 3.86 o 9 2 -16 15.90 11.35 20.57 o 11 1 -15 -20.62 17.52 0.07 o 12 0 10 145.39 17.65 136.01 o 1 2 18 -1.69 18.19 0.78 o 5 4 -15 81.71 11.35 78.98 o 5 2 -18 12.46 20.45 11.60 o 7 4 -14 122.12 14.54 111.02 o 3 1 -19 92.71 12.20 87.23 o 10 1 -16 13.21 9.55 0.17 o 7 6 -4 13.92 19.75 9.83 o 7 3 -16 181.18 21.12 161.59 o 1 1 -19 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18.69 0.13 o 7 6 3 229.43 22.91 167.96 o 4 0 18 3.69 17.67 11.10 o 7 4 12 -14.87 21.26 0.96 o 8 0 -18 344.64 37.14 287.55 o 14 3 -5 203.27 24.18 206.11 o 15 2 -4 15.88 16.06 2.44 o 7 5 9 12.26 17.88 11.65 o 8 3 13 74.91 11.07 66.86 o 9 5 -9 36.41 9.18 32.07 o 2 2 18 27.66 21.28 36.19 o 5 5 11 -3.51 18.85 0.47 o 15 2 -1 326.70 37.72 307.98 o 6 2 -18 172.36 20.26 180.54 o 11 4 -10 21.11 17.67 25.99 o 9 3 -15 25.22 20.52 30.51 o 14 1 6 -9.61 18.81 0.36 o 10 5 -7 159.67 17.85 148.34 o 2 6 9 67.73 10.18 49.77 o 6 4 -15 47.91 9.24 37.96 o 8 4 11 10.67 17.76 0.09 o 9 5 6 48.06 9.77 55.73 o 4 6 -9 -1.80 18.08 1.64 o 5 1 -19 17.68 19.00 0.01 o 10 1 13 90.03 11.30 83.62 o 7 3 14 97.93 12.23 86.87 o 6 2 16 44.18 9.34 38.58 o 9 3 12 82.26 10.40 56.95 o 2 4 -16 45.86 9.40 47.83 o 6 4 13 14.09 17.50 6.47 o 1 1 19 11.33 19.57 5.99 o 11 3 -13 -10.30 19.20 0.14 o 1 4 -16 14.14 18.69 2.21 o 2 3 17 121.49 13.82 99.87 o 15 2 -5 59.60 9.84 51.50 o 15 1 -8 72.64 11.55 85.34 o 7 1 16 221.62 27.41 251.76 o 13 3 5 6.25 19.11 7.18 o 15 2 0 16.71 19.60 9.37 o