#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:28:51 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181242 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/20/2232043.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_2232043_Fobs loop_ _publ_author_name 'Gao, Yi-Hong' _publ_section_title ; Potassium decaborate monohydrate ; _journal_coeditor_code RU2014 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i57 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.038 _cell_angle_beta 106.595 _cell_angle_gamma 91.314 _cell_length_a 7.5612 _cell_length_b 9.2236 _cell_length_c 11.7298 _exptl_crystal_F_000 492.00 _reflns_d_resolution_high 0.7961 _cod_data_source_file ru2014Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' lzh1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 140.85 _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 _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 18.07 12.32 4.51 o 2 0 0 5916.60 5220.35 104.57 o 3 0 0 855.40 832.87 22.78 o 4 0 0 67.49 73.38 10.01 o 5 0 0 4822.79 4882.20 123.52 o 6 0 0 7.86 -5.67 19.01 o 7 0 0 59.67 51.68 24.75 o 8 0 0 5.61 -4.95 23.17 o 9 0 0 103.15 105.35 37.03 o -9 1 0 18.60 24.36 28.91 o -8 1 0 0.34 -18.81 18.81 o -7 1 0 79.41 98.81 30.89 o -6 1 0 703.20 664.01 49.62 o -5 1 0 134.56 161.77 17.41 o -4 1 0 0.57 5.62 5.92 o -3 1 0 470.45 455.23 23.10 o -2 1 0 5677.06 5288.07 76.51 o -1 1 0 110.15 109.70 4.35 o 0 1 0 941.05 840.55 11.84 o 1 1 0 889.52 794.18 12.38 o 2 1 0 1916.79 1775.89 26.50 o 3 1 0 2243.20 2129.67 34.32 o 4 1 0 548.98 605.13 23.12 o 5 1 0 642.55 700.54 32.27 o 6 1 0 1896.26 1928.96 105.55 o 7 1 0 0.06 12.87 19.21 o 8 1 0 74.83 16.04 26.34 o -9 2 0 50.04 17.23 30.50 o -8 2 0 38.10 42.38 29.51 o -7 2 0 757.24 714.08 72.48 o -6 2 0 606.52 601.40 51.78 o -5 2 0 275.98 254.69 22.44 o -4 2 0 102.31 81.22 9.98 o -3 2 0 44.21 36.80 4.99 o -2 2 0 14447.11 14864.50 169.69 o -1 2 0 2406.64 2264.54 33.83 o 0 2 0 1719.69 1539.63 22.14 o 1 2 0 1549.15 1367.93 21.64 o 2 2 0 9175.67 9784.37 115.47 o 3 2 0 369.57 310.30 14.28 o 4 2 0 713.34 676.17 18.27 o 5 2 0 9.31 12.84 13.44 o 6 2 0 384.85 411.30 54.26 o 7 2 0 805.14 794.68 78.42 o 8 2 0 5.50 26.93 28.32 o -8 3 0 382.42 266.94 50.89 o -7 3 0 255.28 275.45 46.34 o -6 3 0 623.42 630.09 50.60 o -5 3 0 2.05 2.20 12.41 o -4 3 0 866.31 893.82 21.81 o -3 3 0 940.74 886.60 21.43 o -2 3 0 0.59 0.75 3.43 o -1 3 0 1948.78 1803.86 30.60 o 0 3 0 2957.28 2867.35 44.04 o 1 3 0 1514.50 1402.83 24.28 o 2 3 0 5918.65 5966.57 79.02 o 3 3 0 1162.18 1279.09 26.79 o 4 3 0 806.24 809.52 21.75 o 5 3 0 7.57 7.21 12.30 o 6 3 0 632.99 755.66 77.23 o 7 3 0 8.02 22.57 27.92 o 8 3 0 3.78 -22.18 27.33 o -8 4 0 425.29 476.45 67.33 o -7 4 0 771.17 678.63 76.64 o -6 4 0 18.82 -2.71 17.48 o -5 4 0 1330.61 1334.32 39.49 o -4 4 0 2553.65 2729.83 61.33 o -3 4 0 127.26 137.83 8.29 o -2 4 0 750.80 715.61 17.46 o -1 4 0 207.98 184.76 12.15 o 0 4 0 3215.57 3143.57 63.32 o 1 4 0 78.45 112.83 8.32 o 2 4 0 346.84 337.60 16.94 o 3 4 0 71.95 60.16 7.24 o 4 4 0 227.59 247.11 17.78 o 5 4 0 916.20 982.53 40.90 o 6 4 0 379.74 381.59 60.99 o 7 4 0 673.59 679.82 84.16 o 8 4 0 84.42 79.80 39.61 o -8 5 0 39.73 75.65 41.39 o -7 5 0 23.28 4.75 25.55 o -6 5 0 418.00 426.15 20.22 o -5 5 0 92.90 77.13 15.86 o -4 5 0 175.22 197.54 19.69 o -3 5 0 2384.83 2472.38 46.05 o -2 5 0 0.18 -4.63 4.65 o -1 5 0 0.19 -1.02 5.25 o 0 5 0 113.72 126.91 10.48 o 1 5 0 88.74 88.43 11.18 o 2 5 0 86.10 86.12 9.20 o 3 5 0 932.76 930.95 25.36 o 4 5 0 218.59 205.12 21.55 o 5 5 0 850.64 847.86 49.27 o 6 5 0 71.87 27.33 34.65 o 7 5 0 0.51 -19.01 28.52 o -8 6 0 7.37 -9.70 27.53 o -7 6 0 241.03 333.28 64.75 o -6 6 0 859.90 785.94 47.82 o -5 6 0 1840.85 1856.86 68.33 o -4 6 0 1776.26 1675.26 48.87 o -3 6 0 291.58 282.18 18.04 o -2 6 0 599.40 597.54 29.56 o -1 6 0 3.64 6.00 6.49 o 0 6 0 917.09 980.92 28.67 o 1 6 0 249.22 279.94 18.97 o 2 6 0 15.12 12.00 8.47 o 3 6 0 15.16 11.70 9.22 o 4 6 0 104.92 81.42 21.59 o 5 6 0 143.60 80.28 22.67 o 6 6 0 89.10 79.04 19.36 o 7 6 0 63.71 38.02 42.18 o -7 7 0 20.94 45.74 37.43 o -6 7 0 217.81 227.38 32.67 o -5 7 0 320.47 335.79 79.51 o -4 7 0 89.26 110.53 15.96 o -3 7 0 133.38 147.06 32.50 o -2 7 0 5.76 5.55 8.53 o -1 7 0 347.92 323.19 21.16 o 0 7 0 294.59 332.34 20.32 o 1 7 0 741.20 787.26 33.88 o 2 7 0 1.30 7.26 10.06 o 3 7 0 494.07 511.85 50.26 o 4 7 0 853.29 868.40 101.59 o 5 7 0 0.77 -16.22 16.22 o 6 7 0 38.22 38.43 21.65 o -6 8 0 496.09 506.60 50.18 o -5 8 0 34.43 33.65 22.15 o -4 8 0 45.15 23.37 14.73 o -3 8 0 143.64 131.34 19.38 o -2 8 0 758.46 791.16 62.15 o -1 8 0 2018.69 1974.51 52.27 o 0 8 0 2.42 -3.81 9.69 o 1 8 0 111.27 114.11 19.87 o 2 8 0 1691.66 1507.66 92.11 o 3 8 0 41.79 34.41 15.01 o 4 8 0 19.73 27.63 13.32 o 5 8 0 131.50 172.85 35.63 o 6 8 0 35.69 -14.06 42.97 o -6 9 0 297.26 322.88 45.31 o -5 9 0 188.41 184.90 21.59 o -4 9 0 8.60 -6.63 14.87 o -3 9 0 1797.06 1873.98 74.02 o -2 9 0 34.60 25.11 27.06 o -1 9 0 151.59 159.95 23.11 o 0 9 0 452.54 496.28 38.76 o 1 9 0 101.93 105.97 23.50 o 2 9 0 439.07 477.65 41.86 o 3 9 0 35.57 25.98 17.16 o 4 9 0 29.44 37.13 20.37 o 5 9 0 113.16 77.88 32.11 o -4 10 0 0.69 -2.19 18.02 o -3 10 0 6.39 6.32 22.36 o -2 10 0 439.39 425.24 50.80 o -1 10 0 255.37 285.08 44.56 o 0 10 0 4573.87 5058.89 148.11 o 1 10 0 234.19 276.19 53.57 o 2 10 0 245.09 320.93 57.13 o 3 10 0 226.66 109.71 46.34 o -2 11 0 142.49 176.44 58.22 o -1 11 0 43.41 9.83 28.12 o 0 11 0 389.91 451.47 52.85 o 1 11 0 8.74 57.82 47.92 o -2 -11 1 36.71 127.92 53.27 o -1 -11 1 4.46 20.40 41.78 o 0 -11 1 91.78 104.71 29.96 o 1 -11 1 84.52 55.14 30.31 o 2 -11 1 1.62 -1.98 43.76 o 3 -11 1 15.64 58.62 40.60 o -4 -10 1 163.24 161.27 23.33 o -3 -10 1 24.05 43.35 22.12 o -2 -10 1 276.52 257.07 37.48 o -1 -10 1 10.71 13.66 25.35 o 0 -10 1 51.04 40.35 39.66 o 1 -10 1 29.17 -7.19 17.70 o 2 -10 1 137.14 141.47 37.09 o 3 -10 1 11.74 15.57 22.12 o 4 -10 1 6.77 5.86 18.65 o -5 -9 1 44.22 17.35 24.23 o -4 -9 1 70.01 36.20 14.87 o -3 -9 1 38.31 44.28 20.93 o -2 -9 1 13.22 -9.65 15.59 o -1 -9 1 156.39 234.63 27.13 o 0 -9 1 48.68 52.20 17.25 o 1 -9 1 245.60 276.81 28.61 o 2 -9 1 0.67 -13.97 13.97 o 3 -9 1 0.05 12.06 17.70 o 4 -9 1 5.87 -4.12 15.06 o 5 -9 1 97.54 111.25 19.54 o -6 -8 1 44.95 40.33 22.57 o -5 -8 1 358.73 461.67 52.08 o -4 -8 1 17.71 15.23 11.59 o -3 -8 1 21.08 13.18 20.65 o -2 -8 1 570.67 526.05 39.56 o -1 -8 1 46.49 48.66 14.25 o 0 -8 1 186.27 177.13 21.18 o 1 -8 1 11.45 8.53 10.42 o 2 -8 1 987.68 1021.63 51.92 o 3 -8 1 3.52 10.17 13.25 o 4 -8 1 224.49 220.81 30.39 o 5 -8 1 11.61 21.79 11.53 o 6 -8 1 46.86 49.28 49.80 o -7 -7 1 237.96 235.85 63.17 o -6 -7 1 215.35 192.48 58.42 o -5 -7 1 149.34 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