#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2208688.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_2208688_Fobs loop_ _publ_author_name 'Zhang, Hui' 'Chen, Pu' 'Fang, Liang' _publ_section_title ; Di-\m-oxo-bis[(2,2'-bipyridine)cobalt(III)] bis(perchlorate) ; _journal_coeditor_code OB2008 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m934 _journal_page_last m935 _journal_volume 62 _journal_year 2006 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 113.798 _cell_angle_gamma 90.000 _cell_length_a 13.6455 _cell_length_b 15.2891 _cell_length_c 6.3092 _exptl_crystal_F_000 664.00 _reflns_d_resolution_high 0.7480 _[local]_cod_data_source_file ob2008Isup2.hkl _[local]_cod_data_source_block I loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, 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 6770.36 8159.54 88.22 o 4 0 0 7908.53 8409.28 99.21 o 6 0 0 369.06 492.33 26.11 o 8 0 0 4617.22 4608.96 77.42 o 10 0 0 61.43 86.85 37.40 o 12 0 0 213.37 156.22 51.17 o 14 0 0 70.45 22.08 42.11 o 16 0 0 276.02 241.89 59.80 o 1 1 0 8369.85 2530.81 349.52 o 3 1 0 6752.62 7598.79 67.90 o 5 1 0 11350.98 11735.84 113.61 o 7 1 0 107.81 154.26 19.42 o 9 1 0 1213.26 1200.74 33.89 o 11 1 0 798.77 763.15 66.91 o 13 1 0 78.11 24.93 31.69 o 15 1 0 64.65 85.53 31.89 o 0 2 0 1303.48 2005.39 32.60 o 2 2 0 13053.81 12045.92 97.85 o 4 2 0 14817.97 14791.63 124.67 o 6 2 0 264.95 259.79 19.05 o 8 2 0 1855.24 1861.71 38.71 o 10 2 0 18.24 -7.10 18.94 o 12 2 0 643.24 679.88 82.43 o 14 2 0 0.10 -29.90 29.90 o 16 2 0 116.64 113.11 37.28 o 1 3 0 38.66 51.58 7.12 o 3 3 0 1.43 -0.70 9.86 o 5 3 0 5.57 19.71 11.00 o 7 3 0 419.83 483.27 25.90 o 9 3 0 214.21 230.94 24.10 o 11 3 0 52.86 82.30 23.44 o 13 3 0 7.50 -16.50 29.38 o 15 3 0 0.21 67.85 31.67 o 0 4 0 2732.50 2477.75 51.25 o 2 4 0 11414.73 11398.42 89.98 o 4 4 0 58.70 17.34 10.49 o 6 4 0 3184.88 3046.96 46.37 o 8 4 0 17.31 10.52 18.11 o 10 4 0 3697.71 3745.62 94.74 o 12 4 0 57.53 73.51 26.67 o 14 4 0 408.91 389.30 48.76 o 16 4 0 45.18 52.97 35.51 o 1 5 0 3337.51 3422.69 67.12 o 3 5 0 640.30 739.68 17.18 o 5 5 0 8866.95 9383.88 93.55 o 7 5 0 4681.61 4823.51 64.57 o 9 5 0 2153.42 2108.21 44.72 o 11 5 0 634.55 662.64 43.24 o 13 5 0 355.68 344.02 38.33 o 15 5 0 149.70 113.49 32.20 o 0 6 0 520.09 516.03 39.18 o 2 6 0 4146.91 4179.32 51.87 o 4 6 0 2842.45 3162.42 40.47 o 6 6 0 14077.54 14315.08 135.16 o 8 6 0 27.72 35.94 19.33 o 10 6 0 2880.15 2730.21 60.59 o 12 6 0 110.30 142.24 55.37 o 14 6 0 371.44 368.29 44.80 o 1 7 0 4354.64 4178.18 57.54 o 3 7 0 156.09 179.52 14.52 o 5 7 0 451.25 522.38 23.02 o 7 7 0 117.34 120.41 20.87 o 9 7 0 520.96 500.04 36.34 o 11 7 0 167.83 176.99 29.53 o 13 7 0 92.02 110.03 30.74 o 15 7 0 190.85 258.35 39.85 o 0 8 0 1772.21 1752.75 55.41 o 2 8 0 1054.91 1042.61 33.71 o 4 8 0 902.80 997.18 27.78 o 6 8 0 155.39 194.99 21.33 o 8 8 0 1007.89 1046.15 34.93 o 10 8 0 743.81 888.32 44.44 o 12 8 0 182.88 251.65 31.61 o 14 8 0 6.56 47.97 24.34 o 1 9 0 902.34 1076.91 54.71 o 3 9 0 1825.91 1600.87 33.82 o 5 9 0 226.99 237.81 18.93 o 7 9 0 166.00 176.16 23.03 o 9 9 0 219.55 206.55 27.87 o 11 9 0 155.30 186.51 28.60 o 13 9 0 117.00 173.00 30.37 o 0 10 0 9807.22 10530.91 171.43 o 2 10 0 926.79 1082.55 58.68 o 4 10 0 6981.01 6881.65 81.68 o 6 10 0 120.08 190.91 32.51 o 8 10 0 1714.84 1609.78 44.61 o 10 10 0 54.53 44.71 21.20 o 12 10 0 326.21 358.94 37.66 o 14 10 0 2.00 25.99 52.85 o 1 11 0 8325.28 8196.89 134.47 o 3 11 0 3145.49 3335.10 63.18 o 5 11 0 1895.70 1894.33 42.30 o 7 11 0 351.01 399.90 31.02 o 9 11 0 362.99 386.50 63.69 o 11 11 0 150.29 138.68 30.83 o 13 11 0 42.82 105.69 26.51 o 0 12 0 8596.04 8809.07 161.70 o 2 12 0 7.28 -6.68 28.03 o 4 12 0 1491.94 1548.47 47.97 o 6 12 0 87.66 79.67 28.83 o 8 12 0 1031.08 969.56 85.38 o 10 12 0 13.49 -29.07 31.71 o 12 12 0 174.13 178.63 36.21 o 1 13 0 488.16 510.77 43.30 o 3 13 0 1.70 25.11 25.98 o 5 13 0 616.84 671.21 42.31 o 7 13 0 3.17 -14.19 34.29 o 9 13 0 50.04 11.40 36.58 o 11 13 0 111.82 115.08 34.50 o 0 14 0 350.64 420.36 54.67 o 2 14 0 928.04 990.69 52.29 o 4 14 0 104.22 172.19 29.04 o 6 14 0 592.98 588.81 73.05 o 8 14 0 43.30 37.90 36.46 o 10 14 0 225.20 196.46 39.27 o 12 14 0 5.67 101.76 36.45 o 1 15 0 44.46 31.92 29.31 o 3 15 0 599.14 567.70 48.34 o 5 15 0 412.18 425.33 42.28 o 7 15 0 450.08 442.86 62.43 o 9 15 0 363.99 349.68 45.19 o 11 15 0 257.27 332.52 44.90 o 0 16 0 125.03 -7.25 58.41 o 2 16 0 1740.79 1626.84 57.88 o 4 16 0 294.00 255.16 39.38 o 6 16 0 951.62 858.44 161.29 o 8 16 0 117.07 194.58 38.30 o 10 16 0 407.68 459.55 50.52 o 1 17 0 316.71 283.26 41.78 o 3 17 0 263.70 239.30 33.92 o 5 17 0 543.17 468.78 82.55 o 7 17 0 360.60 426.55 48.87 o 9 17 0 157.69 240.31 42.71 o 0 18 0 0.47 38.42 37.38 o 2 18 0 149.73 225.48 35.57 o 4 18 0 5.61 100.35 28.87 o 6 18 0 110.10 138.25 37.99 o 1 19 0 0.70 51.57 28.14 o 3 19 0 97.74 152.53 53.96 o 5 19 0 44.05 123.62 39.63 o 0 20 0 505.20 562.10 62.09 o 2 20 0 124.12 197.19 37.11 o -16 0 1 67.91 120.82 50.90 o -14 0 1 3.90 26.55 47.10 o -12 0 1 838.26 669.15 76.41 o -10 0 1 404.38 417.28 32.68 o -8 0 1 1914.17 1867.77 45.01 o -6 0 1 14766.92 15569.95 173.57 o -4 0 1 137336.47 134386.19 1289.80 o -2 0 1 9123.59 10005.24 105.86 o 0 0 1 20329.42 24341.54 229.68 o 2 0 1 10.17 35.69 12.76 o 4 0 1 5572.72 6045.25 99.78 o 6 0 1 106.80 123.07 30.90 o 8 0 1 540.11 664.30 64.55 o 10 0 1 483.87 480.83 112.40 o 12 0 1 755.50 634.54 56.13 o 14 0 1 104.16 109.21 48.30 o -17 1 1 9.52 36.34 34.84 o -15 1 1 260.71 188.82 40.11 o -13 1 1 26.00 -10.29 28.08 o -11 1 1 1488.35 1512.09 42.03 o -9 1 1 1135.26 1068.63 27.06 o -7 1 1 3363.39 3199.51 40.05 o -5 1 1 4324.41 4754.06 50.63 o -3 1 1 13554.40 14152.68 121.97 o -1 1 1 2356.57 2819.17 28.04 o 1 1 1 14552.61 15816.38 116.35 o 3 1 1 56.93 54.05 10.93 o 5 1 1 11406.85 11832.49 119.30 o 7 1 1 17.35 21.59 16.35 o 9 1 1 865.78 852.35 42.34 o 11 1 1 251.28 173.50 28.86 o 13 1 1 285.39 279.14 43.07 o 15 1 1 101.57 121.41 35.99 o -16 2 1 155.00 149.23 48.12 o -14 2 1 64.24 42.49 34.49 o -12 2 1 246.38 268.94 33.22 o -10 2 1 13.78 4.14 16.61 o -8 2 1 3068.11 3002.17 40.95 o -6 2 1 116.16 126.73 14.87 o -4 2 1 1620.81 1464.19 24.15 o -2 2 1 7902.94 6484.01 61.64 o 0 2 1 32980.53 34047.34 237.91 o 2 2 1 862.12 745.95 17.86 o 4 2 1 710.24 737.34 20.49 o 6 2 1 448.29 592.73 27.48 o 8 2 1 2179.63 2038.31 42.39 o 10 2 1 4.59 -2.18 22.66 o 12 2 1 196.09 183.96 34.01 o 14 2 1 3.49 12.38 25.98 o -17 3 1 5.03 15.41 33.85 o -15 3 1 3.26 -27.46 27.46 o -13 3 1 230.00 194.09 39.89 o -11 3 1 136.45 224.29 28.67 o -9 3 1 321.15 353.45 31.16 o -7 3 1 5.77 -8.56 15.25 o -5 3 1 714.28 654.50 18.60 o -3 3 1 6009.15 5523.85 71.08 o -1 3 1 3212.33 3055.87 31.30 o 1 3 1 44.16 0.36 8.36 o 3 3 1 1738.85 1657.65 28.36 o 5 3 1 64.68 64.53 16.52 o 7 3 1 1984.04 1858.51 39.50 o 9 3 1 4.46 -13.29 19.28 o 11 3 1 0.29 6.37 19.20 o 13 3 1 6.78 42.83 35.01 o 15 3 1 111.99 198.16 37.16 o -16 4 1 28.96 54.28 32.30 o -14 4 1 508.91 474.26 51.16 o -12 4 1 18.53 6.74 21.26 o -10 4 1 1254.73 1192.29 42.62 o -8 4 1 57.82 76.03 17.07 o -6 4 1 2218.18 2010.96 34.54 o -4 4 1 180.22 272.49 13.48 o -2 4 1 8085.73 7704.30 70.39 o 0 4 1 46.27 12.82 8.38 o 2 4 1 1481.46 1520.91 26.08 o 4 4 1 2454.26 2728.18 41.15 o 6 4 1 7078.99 7208.41 82.81 o 8 4 1 82.73 128.65 23.25 o 10 4 1 1589.71 1557.98 44.39 o 12 4 1 307.69 275.90 36.75 o 14 4 1 305.76 233.19 39.36 o -15 5 1 119.13 117.69 35.55 o -13 5 1 685.87 626.84 48.46 o -11 5 1 579.97 561.16 49.12 o -9 5 1 3756.38 3570.52 63.53 o -7 5 1 280.34 364.83 23.51 o -5 5 1 6969.21 6755.95 75.58 o -3 5 1 1113.93 905.33 18.52 o -1 5 1 13284.73 13586.00 106.32 o 1 5 1 11250.02 12665.09 101.68 o 3 5 1 11201.92 12300.75 112.52 o 5 5 1 3756.37 4095.41 56.88 o 7 5 1 3895.15 3785.98 59.32 o 9 5 1 1212.13 1244.65 42.05 o 11 5 1 525.71 497.84 53.57 o 13 5 1 1.68 4.58 24.34 o 15 5 1 53.50 81.43 31.20 o -16 6 1 43.56 49.40 38.44 o -14 6 1 340.38 287.72 42.61 o -12 6 1 90.84 94.29 26.05 o -10 6 1 4959.66 4843.00 79.57 o -8 6 1 294.99 390.33 20.03 o -6 6 1 2240.23 2165.99 35.03 o -4 6 1 212.92 332.80 17.92 o -2 6 1 2260.67 2163.72 30.40 o 0 6 1 7327.73 8128.79 71.82 o 2 6 1 14342.91 15673.95 125.68 o 4 6 1 3783.32 4115.66 55.86 o 6 6 1 5002.63 4871.56 67.22 o 8 6 1 295.54 338.96 29.42 o 10 6 1 1734.47 1668.55 46.54 o 12 6 1 22.41 67.29 28.55 o 14 6 1 66.64 90.94 26.79 o -15 7 1 37.50 28.02 29.74 o -13 7 1 197.70 212.19 36.85 o -11 7 1 3.06 -4.27 22.72 o -9 7 1 319.76 284.22 31.31 o -7 7 1 93.29 124.31 15.92 o -5 7 1 6461.57 6332.58 71.93 o -3 7 1 194.60 233.60 15.31 o -1 7 1 3626.03 3406.72 44.71 o 1 7 1 33.01 65.83 10.67 o 3 7 1 249.71 260.65 18.84 o 5 7 1 712.36 794.66 31.63 o 7 7 1 1032.76 1115.81 38.42 o 9 7 1 269.91 278.72 27.89 o 11 7 1 655.46 706.20 48.79 o 13 7 1 135.98 128.20 29.04 o -16 8 1 19.18 63.16 32.01 o -14 8 1 48.73 71.84 25.92 o -12 8 1 151.76 213.26 31.06 o -10 8 1 112.12 104.71 25.74 o -8 8 1 779.16 845.29 54.06 o -6 8 1 380.60 432.40 22.25 o -4 8 1 195.22 242.01 20.43 o -2 8 1 360.63 409.51 21.73 o 0 8 1 536.68 592.62 40.84 o 2 8 1 255.75 292.07 17.68 o 4 8 1 39.47 54.71 16.49 o 6 8 1 1012.67 1093.02 35.12 o 8 8 1 729.54 717.06 54.37 o 10 8 1 61.30 140.06 27.40 o 12 8 1 0.93 49.23 27.25 o 14 8 1 84.50 216.87 31.52 o -15 9 1 59.46 115.28 30.34 o -13 9 1 20.15 27.78 23.08 o -11 9 1 309.55 340.63 38.39 o -9 9 1 15.94 23.92 22.48 o -7 9 1 975.71 985.70 33.85 o -5 9 1 31.66 58.47 14.98 o -3 9 1 4805.51 4724.58 60.26 o -1 9 1 47.64 75.20 22.56 o 1 9 1 640.84 641.09 25.16 o 3 9 1 98.91 100.57 14.58 o 5 9 1 1112.66 1153.44 42.19 o 7 9 1 53.95 32.48 19.87 o 9 9 1 469.90 417.02 35.10 o 11 9 1 319.13 400.84 33.84 o 13 9 1 279.31 184.79 46.10 o -14 10 1 61.29 98.74 27.97 o -12 10 1 361.99 356.11 40.14 o -10 10 1 77.77 73.09 21.87 o -8 10 1 3106.48 3058.89 79.58 o -6 10 1 1367.32 1417.02 36.33 o -4 10 1 3952.33 3910.97 86.55 o -2 10 1 1214.04 1226.20 43.24 o 0 10 1 8489.64 8107.24 170.90 o 2 10 1 420.82 453.24 23.34 o 4 10 1 1622.29 1590.13 37.09 o 6 10 1 296.54 312.88 24.93 o 8 10 1 1053.04 1030.31 37.05 o 10 10 1 7.01 48.47 26.02 o 12 10 1 301.53 287.51 40.29 o -13 11 1 26.01 70.34 32.85 o -11 11 1 506.21 568.74 62.64 o -9 11 1 385.88 381.21 44.65 o -7 11 1 1929.63 2111.35 74.00 o -5 11 1 4540.49 4290.87 78.26 o -3 11 1 9539.43 9534.90 135.64 o -1 11 1 1962.49 1960.06 55.45 o 1 11 1 2713.34 2606.58 63.93 o 3 11 1 310.24 354.06 28.57 o 5 11 1 1833.92 1686.87 46.38 o 7 11 1 21.07 22.72 21.60 o 9 11 1 311.36 276.91 35.57 o 11 11 1 130.73 156.49 31.38 o 13 11 1 156.43 186.60 44.59 o -14 12 1 16.96 89.63 34.10 o -12 12 1 249.23 287.20 40.86 o -10 12 1 88.49 83.60 37.75 o -8 12 1 407.67 331.37 44.44 o -6 12 1 241.67 294.27 29.67 o -4 12 1 3572.02 3553.27 68.46 o -2 12 1 4.39 -14.79 25.48 o 0 12 1 2441.38 2396.46 56.71 o 2 12 1 57.85 58.40 26.93 o 4 12 1 1473.86 1438.16 51.08 o 6 12 1 56.18 71.10 28.92 o 8 12 1 471.79 436.47 47.65 o 10 12 1 118.55 136.95 33.26 o 12 12 1 144.11 190.19 34.53 o -13 13 1 0.56 92.95 33.14 o -11 13 1 82.43 186.52 40.79 o -9 13 1 52.66 41.35 36.31 o -7 13 1 18.08 35.30 31.84 o -5 13 1 403.52 594.85 41.36 o -3 13 1 256.71 220.26 35.78 o -1 13 1 11.00 15.16 26.94 o 1 13 1 815.28 833.92 45.80 o 3 13 1 80.97 100.12 27.00 o 5 13 1 552.47 539.44 43.83 o 7 13 1 8.57 40.80 25.07 o 9 13 1 109.15 106.54 33.50 o 11 13 1 0.04 89.58 48.28 o -12 14 1 28.31 111.89 34.27 o -10 14 1 161.27 219.15 40.66 o -8 14 1 1.63 45.35 34.37 o -6 14 1 159.61 153.89 29.51 o -4 14 1 6.73 11.60 29.46 o -2 14 1 659.34 693.25 43.24 o 0 14 1 289.20 317.80 35.62 o 2 14 1 1175.31 1136.72 75.31 o 4 14 1 154.64 128.44 32.44 o 6 14 1 456.08 519.80 44.01 o 8 14 1 19.58 55.95 31.70 o 10 14 1 93.58 231.67 52.40 o -11 15 1 39.51 61.48 42.41 o -9 15 1 358.79 366.64 45.41 o -7 15 1 207.48 132.75 42.37 o -5 15 1 81.47 86.46 30.67 o -3 15 1 3.85 15.75 25.99 o -1 15 1 976.07 867.30 48.90 o 1 15 1 540.63 503.12 40.74 o 3 15 1 1126.31 914.49 108.86 o 5 15 1 352.70 399.53 58.01 o 7 15 1 1147.93 997.74 65.93 o 9 15 1 235.60 271.80 41.91 o -10 16 1 366.31 392.26 47.41 o -8 16 1 170.42 133.93 36.52 o -6 16 1 722.03 620.88 66.39 o -4 16 1 289.73 254.58 37.05 o -2 16 1 1620.45 1489.07 108.17 o 0 16 1 395.92 359.46 39.83 o 2 16 1 1366.22 1337.81 54.01 o 4 16 1 386.26 304.05 39.95 o 6 16 1 812.39 705.42 76.07 o 8 16 1 130.15 184.74 54.61 o -9 17 1 354.33 323.47 47.69 o -7 17 1 94.68 126.82 36.92 o -5 17 1 416.23 444.57 39.75 o -3 17 1 75.45 39.10 30.47 o -1 17 1 616.67 605.69 53.04 o 1 17 1 535.33 571.40 43.73 o 3 17 1 774.50 619.75 57.40 o 5 17 1 195.54 153.99 30.32 o 7 17 1 219.54 235.92 40.02 o -8 18 1 9.52 46.82 35.38 o -6 18 1 87.94 154.15 41.82 o -4 18 1 7.61 82.28 25.32 o -2 18 1 102.39 148.95 36.85 o 0 18 1 0.48 1.64 24.85 o 2 18 1 76.20 77.73 37.99 o 4 18 1 0.40 63.78 30.50 o 6 18 1 128.43 225.03 42.35 o -5 19 1 29.45 38.32 35.89 o -3 19 1 51.05 143.67 29.00 o -1 19 1 5.85 55.89 37.30 o 1 19 1 132.70 132.94 33.56 o 3 19 1 37.34 100.66 35.05 o -2 20 1 155.41 170.51 31.59 o 0 20 1 166.65 151.72 31.89 o -16 0 2 139.30 91.13 51.31 o -14 0 2 239.51 141.11 55.59 o -12 0 2 324.40 354.66 76.27 o -10 0 2 4198.50 3865.87 123.71 o -8 0 2 20235.59 19778.96 260.46 o -6 0 2 15157.53 15057.83 169.35 o -4 0 2 2925.83 2980.51 52.46 o -2 0 2 323.53 259.58 25.59 o 0 0 2 15162.82 16268.35 174.45 o 2 0 2 685.03 595.03 89.58 o 4 0 2 142.25 159.70 30.72 o 6 0 2 1234.98 1199.88 54.99 o 8 0 2 3101.16 2813.88 86.12 o 10 0 2 768.13 746.52 62.75 o 12 0 2 442.90 417.30 52.17 o 14 0 2 12.61 29.98 42.44 o -17 1 2 13.36 0.79 35.34 o -15 1 2 328.41 203.95 54.38 o -13 1 2 47.90 61.49 33.97 o -11 1 2 1969.76 1886.59 60.25 o -9 1 2 1547.62 1502.11 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