#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108226.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_2108226 _cod_data_source_file xk5046Xsup11.hkl _cod_data_source_block X 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 2 0 5332.86 5494.32 80.42 o 1 1 0 5415.06 5794.78 52.03 o 0 3 0 4718.65 4592.22 36.93 o -2 4 0 30302.60 29239.10 329.09 o 2 2 0 30121.80 29418.10 185.88 o -1 5 0 8362.44 8185.42 96.08 o 1 4 0 8328.94 8314.13 103.32 o -3 6 0 33820.50 34227.90 368.88 o 3 3 0 34120.30 34930.60 369.75 o 0 6 0 14666.90 14574.40 123.39 o -2 7 0 19829.50 19510.00 160.91 o 2 5 0 19830.90 19609.60 132.03 o -4 8 0 4667.33 4534.02 89.13 o 4 4 0 4623.98 4523.96 67.92 o -1 8 0 829.98 823.90 46.21 o 1 7 0 841.47 867.37 44.67 o -3 9 0 2674.54 2601.68 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-6 6 15 164.20 150.47 33.77 o -3 6 15 550.93 551.02 35.20 o 3 3 15 555.81 563.18 33.19 o 0 6 15 80.62 97.19 34.39 < -5 7 15 287.93 301.92 32.70 o -7 5 15 286.14 271.82 30.28 o -2 7 15 467.89 431.84 31.58 o 2 5 15 467.55 497.89 32.08 o -7 8 15 324.40 318.07 32.89 o -8 7 15 328.09 360.63 33.88 o -4 8 15 182.12 172.28 27.94 o 4 4 15 180.54 190.04 29.44 o -1 8 15 330.66 340.03 33.47 o 1 7 15 334.73 333.55 30.15 o -9 9 15 884.17 873.29 32.84 o -6 9 15 50.71 66.65 27.94 < -9 6 15 50.94 68.68 29.02 < -3 9 15 183.27 197.73 26.23 o 3 6 15 181.63 166.21 26.95 o 0 9 15 613.94 591.27 35.38 o -8 10 15 223.84 218.16 28.51 o -10 8 15 220.96 232.38 29.27 o -5 10 15 442.80 430.58 30.70 o 5 5 15 446.90 447.31 30.58 o -2 10 15 97.39 109.04 25.54 o 2 8 15 95.63 88.91 24.08 o -10 11 15 7.27 14.09 31.79 < -11 10 15 7.08 21.50 36.33 < -7 11 15 489.94 489.16 25.93 o -11 7 15 491.37 498.06 28.74 o -4 11 15 406.05 401.61 33.21 o 4 7 15 405.47 389.68 28.00 o -1 11 15 26.75 25.97 31.47 < 1 10 15 27.38 53.68 34.93 < -12 12 15 14.87 16.96 24.13 < -9 12 15 12.47 18.87 25.63 < -12 9 15 12.79 17.85 30.50 < -6 12 15 453.27 449.95 29.86 o 6 6 15 449.73 458.60 33.21 o -3 12 15 33.72 51.82 34.97 < 3 9 15 34.10 39.89 35.02 < 0 12 15 28.67 22.66 36.13 < -11 13 15 375.50 378.79 24.70 o -13 11 15 375.53 366.59 22.32 o -8 13 15 99.37 101.60 26.76 o -13 8 15 100.33 119.05 28.30 o -5 13 15 107.62 109.39 34.77 o 5 8 15 109.77 109.97 29.92 o -2 13 15 417.60 383.09 39.18 o 2 11 15 417.07 373.37 32.47 o -13 14 15 136.53 134.11 17.56 o -14 13 15 134.88 138.96 17.67 o -10 14 15 151.23 161.03 23.85 o -14 10 15 149.31 150.77 24.01 o -7 14 15 58.03 49.07 30.36 < 7 7 15 59.17 67.32 27.15 < -4 14 15 201.28 172.76 29.18 o 4 10 15 199.48 182.14 29.66 o -1 14 15 101.26 75.43 28.26 < 1 13 15 99.75 81.18 27.94 < -15 15 15 47.96 52.25 21.78 < -12 15 15 405.13 363.66 17.99 o -15 12 15 407.85 392.10 22.32 o -9 15 15 67.41 70.10 20.39 o -15 9 15 67.41 82.47 22.98 o -6 15 15 104.62 78.59 25.44 o 6 9 15 105.80 95.32 22.84 o -3 15 15 191.51 151.63 27.40 o 3 12 15 193.24 138.84 33.31 o 0 15 15 64.06 48.03 22.51 < -14 16 15 49.54 74.53 30.77 < -16 14 15 48.75 44.13 21.80 < -11 16 15 168.27 153.42 16.47 o -16 11 15 168.51 163.36 18.47 o -8 16 15 248.92 209.50 21.84 o 8 8 15 246.89 227.81 22.86 o -5 16 15 99.48 79.14 22.33 o 5 11 15 99.35 85.84 20.35 o 2 14 15 46.09 20.65 32.46 < -10 17 15 68.03 72.27 23.46 o -17 10 15 69.08 66.50 19.79 o -7 17 15 123.10 131.69 36.17 o 7 10 15 124.26 116.70 25.24 o -1 1 16 70.68 97.83 37.81 < 0 2 16 1344.05 1251.98 52.30 o -2 3 16 148.12 143.20 31.26 o -3 2 16 145.37 157.61 28.44 o -4 4 16 762.55 749.78 37.89 o -1 4 16 321.74 304.11 29.27 o 1 3 16 325.93 343.32 30.42 o -3 5 16 125.48 125.08 30.57 o -5 3 16 124.70 132.73 28.12 o 0 5 16 648.47 651.47 32.79 o -5 6 16 268.85 272.75 33.54 o -6 5 16 271.64 267.78 31.37 o -2 6 16 341.55 314.78 29.22 o 2 4 16 342.50 291.66 28.94 o -7 7 16 1027.46 1015.64 36.61 o -4 7 16 94.86 96.65 28.61 o -7 4 16 94.04 97.38 25.22 o -1 7 16 138.07 162.18 29.07 o 1 6 16 136.17 150.75 26.95 o -6 8 16 119.65 120.46 29.59 o -8 6 16 117.64 125.80 25.68 o -3 8 16 258.33 249.55 26.37 o 3 5 16 261.42 231.96 23.64 o 0 8 16 12.79 28.03 31.67 < -8 9 16 41.53 44.94 37.67 < -9 8 16 40.56 37.76 38.11 < -5 9 16 351.14 334.51 31.12 o -9 5 16 350.30 355.33 26.27 o -2 9 16 713.41 709.13 38.39 o 2 7 16 712.08 727.36 31.43 o -10 10 16 4.52 33.98 31.61 < -7 10 16 126.92 144.30 28.53 o -10 7 16 128.83 149.46 32.78 o -4 10 16 277.17 270.76 37.25 o 4 6 16 274.31 298.84 31.55 o -1 10 16 76.09 65.20 26.04 < 1 9 16 77.42 79.19 33.22 < -9 11 16 550.13 558.32 26.78 o -11 9 16 550.56 547.28 29.49 o -6 11 16 179.08 155.24 27.38 o -11 6 16 179.51 183.52 25.77 o -3 11 16 51.43 59.24 28.88 < 3 8 16 52.63 60.51 28.67 < 0 11 16 717.56 669.83 32.60 o -11 12 16 6.71 14.76 22.93 < -12 11 16 6.48 11.03 20.78 < -8 12 16 88.06 86.11 23.99 o -12 8 16 86.59 93.22 24.38 o -5 12 16 77.54 87.85 26.64 o 5 7 16 78.88 78.73 27.01 < -2 12 16 19.46 8.86 25.67 < 2 10 16 18.90 31.37 32.28 < -13 13 16 379.49 366.35 19.01 o -10 13 16 112.28 100.01 17.92 o -13 10 16 113.84 105.09 20.37 o -7 13 16 208.04 178.05 28.63 o -13 7 16 207.93 199.12 24.80 o -4 13 16 255.65 223.09 27.33 o 4 9 16 255.77 230.29 30.15 o -1 13 16 95.03 94.63 26.12 o 1 12 16 96.37 74.69 25.19 < -12 14 16 46.27 47.54 16.36 < -14 12 16 45.57 33.17 21.83 < -9 14 16 84.25 77.42 20.00 o -14 9 16 84.34 89.78 22.91 o -6 14 16 193.08 153.76 24.01 o 6 8 16 191.21 183.25 21.08 o -3 14 16 44.99 37.02 22.79 < 3 11 16 44.46 39.12 19.17 < -11 15 16 138.63 111.37 20.11 o -15 11 16 138.28 145.23 21.04 o -8 15 16 64.59 47.47 18.66 < -15 8 16 65.11 72.76 18.92 o -5 15 16 70.38 58.27 19.19 o 5 10 16 71.24 62.63 22.08 < 7 9 16 246.11 276.40 33.65 o 0 1 17 9.70 28.44 34.56 < -2 2 17 562.20 564.54 32.96 o -1 3 17 200.18 193.36 27.77 o 1 2 17 197.24 183.37 29.30 o -3 4 17 185.80 198.39 28.83 o -4 3 17 188.30 193.37 31.35 o 0 4 17 441.19 434.34 29.02 o -5 5 17 240.12 273.06 33.08 o -2 5 17 148.57 149.47 23.71 o 2 3 17 146.60 142.96 30.15 o -4 6 17 191.00 207.72 33.65 o -6 4 17 190.78 172.87 32.60 o -1 6 17 282.27 285.78 33.79 o 1 5 17 285.14 290.36 38.86 o -6 7 17 153.49 170.69 35.57 o -7 6 17 151.08 176.93 36.19 o -3 7 17 81.44 65.49 34.72 < 3 4 17 80.29 63.42 30.31 < 0 7 17 231.49 250.88 36.26 o -8 8 17 14.04 28.65 31.30 < -5 8 17 374.41 348.82 32.55 o -8 5 17 377.61 394.67 32.91 o -2 8 17 74.04 66.09 39.98 < 2 6 17 72.42 80.84 28.67 < -7 9 17 315.89 312.03 29.69 o -9 7 17 315.23 347.74 34.83 o -4 9 17 223.98 213.83 32.57 o 4 5 17 224.18 233.37 25.97 o -1 9 17 50.95 44.20 34.76 < 1 8 17 49.87 47.38 29.46 < -9 10 17 35.91 41.45 21.66 < -10 9 17 36.68 46.83 24.34 < -6 10 17 169.36 154.69 27.11 o -10 6 17 167.65 178.11 24.38 o -3 10 17 129.64 119.82 29.57 o 3 7 17 131.30 133.72 25.46 o 0 10 17 4.02 9.78 34.01 < -11 11 17 409.29 402.13 30.12 o -8 11 17 16.73 13.93 21.20 < -11 8 17 17.00 34.58 26.14 < -5 11 17 103.23 91.10 27.11 o 5 6 17 104.10 89.59 22.58 o -2 11 17 372.92 329.40 45.76 o 2 9 17 372.65 331.34 43.20 o -10 12 17 56.18 51.21 17.88 < -12 10 17 55.31 54.60 18.39 < -7 12 17 67.85 65.84 19.95 o -12 7 17 69.24 58.78 23.09 < -4 12 17 164.97 134.59 23.23 o 4 8 17 163.30 124.27 18.91 o -1 12 17 23.21 22.56 26.85 < 1 11 17 22.65 8.08 27.18 < -9 13 17 149.80 147.72 19.82 o -13 9 17 149.65 150.07 23.28 o -6 13 17 67.85 61.39 19.61 o 6 7 17 68.32 57.86 17.62 o -3 13 17 50.98 46.25 26.41 < 3 10 17 51.88 53.68 25.01 < -8 14 17 251.18 199.80 24.03 o -14 8 17 249.19 257.60 24.49 o -5 14 17 30.36 13.33 32.27 < 5 9 17 30.53 27.61 29.81 < 0 0 18 1045.93 749.98 84.68 o -1 2 18 71.67 58.46 34.93 < 1 1 18 73.06 69.13 35.09 < -3 3 18 20.74 21.45 37.60 < 0 3 18 52.12 31.00 27.61 < -2 4 18 413.71 341.15 32.80 o 2 2 18 414.30 404.57 52.52 o -4 5 18 59.66 52.55 26.94 < -5 4 18 58.52 49.09 35.64 < -1 5 18 105.32 81.04 28.74 < 1 4 18 103.64 91.42 37.24 < -6 6 18 82.18 85.26 26.02 o -3 6 18 279.86 246.79 35.59 o 3 3 18 282.63 304.45 31.04 o 0 6 18 127.71 109.06 27.64 o -5 7 18 306.39 282.53 26.16 o -7 5 18 306.30 282.94 29.13 o -2 7 18 212.36 222.55 34.39 o 2 5 18 211.76 221.95 34.60 o -7 8 18 96.15 94.60 20.71 o -8 7 18 97.52 88.31 20.79 o -4 8 18 102.36 78.18 26.44 < 4 4 18 100.89 100.95 26.42 o -1 8 18 97.71 100.53 29.71 o 1 7 18 98.88 89.55 24.22 o -9 9 18 416.54 392.57 19.21 o -6 9 18 78.42 68.31 21.84 o -9 6 18 77.59 55.34 20.58 < -3 9 18 20.94 32.92 27.66 < 3 6 18 20.87 32.90 22.70 < 0 9 18 533.96 441.47 46.22 o -8 10 18 12.93 18.15 19.91 < -10 8 18 12.54 13.04 20.46 < -5 10 18 90.46 77.86 22.10 o 5 5 18 91.85 94.16 21.22 o -2 10 18 40.44 35.99 18.45 < 2 8 18 39.62 31.56 20.95 < -10 11 18 31.19 35.96 17.42 < -11 10 18 31.78 48.45 21.68 < -7 11 18 191.35 199.62 23.55 o -11 7 18 190.92 164.40 29.92 o -4 11 18 222.51 197.77 30.33 o 4 7 18 222.88 180.51 38.71 o -1 11 18 16.38 16.22 30.13 < 1 10 18 16.66 33.91 29.73 < -6 12 18 134.26 108.06 19.33 o 6 6 18 132.85 153.26 34.46 o -1 1 19 20.73 26.57 30.33 < 0 2 19 365.71 237.12 36.01 o -2 3 19 32.84 14.39 26.18 < -3 2 19 32.18 15.02 36.59 < -4 4 19 147.66 139.23 24.55 o -1 4 19 154.77 133.84 33.17 o 1 3 19 156.47 117.36 37.76 o -3 5 19 77.59 59.42 21.75 < -5 3 19 76.71 41.04 28.35 < 0 5 19 31.23 38.69 30.41 < -5 6 19 196.87 153.51 23.57 o -6 5 19 198.98 161.05 22.60 o -2 6 19 105.67 66.76 24.36 < 2 4 19 104.52 88.93 27.27 o -7 7 19 130.08 96.14 16.19 o -4 7 19 106.64 88.32 19.59 o -7 4 19 105.59 75.90 20.95 o -1 7 19 68.82 47.91 18.22 < 1 6 19 67.65 48.24 21.64 < -6 8 19 23.10 12.62 19.68 < -8 6 19 22.76 19.05 15.22 < -3 8 19 209.20 181.47 23.02 o 3 5 19 210.99 144.82 51.74 < 0 8 19 4.12 1.99 29.65 < -5 9 19 79.98 78.62 18.62 o -9 5 19 80.03 54.17 20.85 < 2 7 19 192.32 173.18 32.38 o 0 1 20 3.65 8.61 28.10 < -2 2 20 391.47 200.07 26.09 o -1 3 20 11.80 5.38 36.56 < 1 2 20 11.48 9.41 21.45 < -3 4 20 118.71 44.73 34.40 < -4 3 20 120.12 52.45 21.59 < 0 4 20 134.77 81.80 34.33 < -5 5 20 62.42 12.62 29.21 < -2 5 20 32.49 4.02 31.42 < 2 3 20 32.33 16.87 30.18 < loop_ _twin_refln_datum_id _twin_refln_individual_id _twin_refln_index_h _twin_refln_index_k _twin_refln_index_l _twin_refln_f_squared_calc _twin_refln_f_squared_meas _twin_refln_f_squared_sigma _twin_refln_include_status ? ? ? ? ? ? ? ? ?