#------------------------------------------------------------------------------ #$Date: 2016-04-02 19:33:14 +0100 (Sat, 02 Apr 2016) $ #$Revision: 180789 $ #$URL: svn://www.crystallography.net/cod/hkl/2/01/20/2012070.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_2012070_Fobs loop_ _publ_author_name 'Yang, Lan' 'Hu, Changwen' 'Naruke, Haruo' 'Yamase, Toshihiro' _publ_section_title ; A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 799 _journal_page_last 801 _journal_volume 57 _journal_year 2001 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cod_data_source_file br1320Isup2.hkl _cod_data_source_block I 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 1 1 -1 19573.41 810.23 13160.63 o 1 1 1 54595.69 2682.05 48766.70 o 3 1 -1 5950.43 453.70 10134.57 o 2 0 -2 135.35 39.51 290.05 o 3 1 1 11720.00 650.15 13618.89 o 0 0 2 224362.50 9999.99 196336.00 o 2 2 0 83492.33 3514.75 57733.70 o 4 0 -2 61867.43 2897.27 55957.90 o 1 1 -2 89.78 37.93 158.27 o 0 2 1 5057.58 262.83 4760.60 o 3 1 -2 52468.55 2648.65 51404.50 o 2 2 -1 53350.41 2610.13 48887.06 o 2 0 2 1433.29 82.26 1616.04 o 1 1 2 872.05 56.60 921.50 o 2 2 1 84844.53 4035.95 77430.52 o 4 2 0 54239.57 2924.27 59748.56 o 4 2 -1 794.58 83.53 1412.46 o 5 1 -2 71832.51 3608.12 69671.12 o 5 1 1 56460.23 2906.27 54218.45 o 6 0 -2 27696.24 1398.87 27884.14 o 3 1 2 16027.94 881.59 16301.97 o 7 1 -1 2138.32 178.39 3906.06 o 2 2 -2 5870.31 356.58 6178.66 o 0 2 2 5786.11 354.27 6370.76 o 4 0 2 134.43 21.62 184.98 o 4 2 1 1588.17 82.94 962.65 o 7 1 0 13160.25 866.19 18898.69 o 4 2 -2 7849.37 438.31 7582.04 o 6 2 -1 18653.31 810.19 14246.41 o 1 3 0 237.19 64.34 503.01 o 6 2 0 373518.56 9999.99 299719.84 o 7 1 -2 4384.63 284.33 5720.56 o 8 0 0 257964.61 9999.99 204944.50 o 2 2 2 1729.58 131.18 2143.66 o 3 1 -3 136985.66 6214.42 114781.34 o 1 1 -3 31639.68 1569.86 30757.84 o 1 3 -1 5015.29 226.90 3506.81 o 8 0 -2 37319.28 1778.99 33447.81 o 3 3 0 19084.39 1032.40 21001.22 o 1 3 1 72317.99 3564.46 66859.12 o 3 3 -1 87010.67 4092.69 72672.67 o 5 1 -3 486.63 54.31 215.63 o 7 1 1 52.32 30.58 248.20 o 6 2 -2 74976.95 3617.91 66434.92 o 5 1 2 2073.49 107.11 2071.79 o 1 1 3 1086.62 58.65 827.71 o 6 2 1 295542.75 9999.99 247982.92 o 3 3 1 16147.25 829.88 16360.22 o 6 0 2 102271.86 4591.15 85632.92 o 9 1 -1 21422.18 1002.06 18437.54 o 4 2 2 24220.46 1925.53 22221.52 o 2 2 -3 22081.47 1214.61 21846.73 o 8 2 -1 9014.99 385.10 6565.01 o 1 3 -2 12802.46 628.27 12277.95 o 7 1 -3 14067.05 734.00 14762.81 o 9 1 0 55009.55 3115.04 57484.74 o 4 2 -3 107389.50 5247.00 97438.29 o 3 3 -2 5175.93 301.44 5427.47 o 0 2 3 80339.97 4070.68 71953.71 o 9 1 -2 48633.50 2333.46 44595.80 o 8 2 0 3342.95 355.18 2163.89 o 3 1 3 21857.30 1161.26 20746.60 o 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55.59 42.48 o 3 3 -3 28982.83 1609.06 28122.78 o 10 2 -1 569.34 48.03 187.28 o 1 3 -3 1420.89 139.39 1166.12 o 2 4 1 31724.47 1644.02 31666.67 o 4 2 3 2053.50 99.18 1563.71 o 11 1 -2 3269.16 232.82 4426.77 o 4 4 0 20328.80 1112.47 22165.96 o 1 1 4 13664.79 768.79 15431.40 o 4 4 -1 10391.07 554.75 11175.39 o 10 2 -2 21191.06 961.65 17371.06 o 7 1 -4 23431.88 1232.98 24147.13 o 2 0 4 8274.92 500.39 10242.26 o 5 3 -3 18523.12 939.94 16976.19 o 7 3 1 6396.21 292.94 4564.64 o 10 2 0 18646.94 944.39 16766.32 o 11 1 0 28623.62 2088.11 28136.96 o 5 3 2 9353.63 537.10 9982.70 o 1 3 3 4477.48 343.18 5076.94 o 8 0 -4 57761.56 2784.79 53738.22 o 2 2 -4 51734.18 2653.60 48390.91 o 4 2 -4 104.43 68.66 68.44 o 2 4 -2 768.12 92.24 628.20 o 9 3 -1 24552.88 1383.42 28185.78 o 0 4 2 1443.60 104.14 1788.19 o 4 4 1 3878.23 198.95 3655.37 o 12 0 -2 48395.49 2740.94 51341.10 o 0 2 4 194.30 82.61 153.61 o 6 2 -4 996.29 105.85 1771.33 o 4 4 -2 24010.78 1167.99 22084.22 o 9 1 2 20426.62 1205.34 19480.43 o 7 3 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35013.21 2049.58 40747.30 o 1 3 -4 50097.88 2662.94 44958.75 o 3 1 -5 43796.11 2290.34 43044.52 o 8 4 -1 40586.01 2086.24 38035.34 o 5 3 -4 2005.46 124.62 2090.47 o 5 1 -5 31911.07 1550.35 28138.13 o 4 4 -3 12878.50 746.27 14551.40 o 1 5 0 2826.35 183.55 3293.52 o 5 3 3 37014.81 2068.71 31722.06 o 0 4 3 6038.80 390.19 6497.58 o 12 2 0 7707.21 493.37 9252.56 o 5 1 4 5016.87 233.96 4445.57 o 8 4 0 85507.81 4266.55 69056.84 o 11 3 -1 8590.47 439.03 5882.34 o 1 1 -5 61056.73 3020.11 57739.62 o 11 1 -4 14101.45 642.55 12107.00 o 1 5 -1 3072.03 168.61 3227.12 o 13 1 0 293.03 84.59 347.17 o 8 4 -2 107638.79 5415.75 95740.87 o 4 2 4 4688.01 251.99 4190.04 o 11 3 -2 22729.96 1373.43 27237.65 o 3 5 0 13495.17 778.18 16236.46 o 1 5 1 40869.96 2074.38 40828.71 o 7 1 -5 35088.36 1813.20 35807.58 o 1 3 4 3264.76 189.76 3046.85 o 10 2 -4 77704.23 3830.79 72274.77 o 7 3 -4 1826.26 143.01 1525.98 o 3 5 -1 4949.32 260.13 4803.55 o 6 4 -3 417.95 70.83 510.22 o 12 2 -3 22831.24 1254.29 23864.22 o 6 0 4 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