#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108225.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_2108225 _cod_data_source_file xk5046IXsup10.hkl _cod_data_source_block IX 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 5349.26 5425.79 75.91 o 1 1 0 5408.10 5426.73 185.35 o 0 3 0 4695.22 4583.54 43.28 o -2 4 0 30283.20 29094.10 345.33 o 2 2 0 30119.60 28815.70 487.14 o -1 5 0 8394.40 8388.90 64.16 o 1 4 0 8374.05 8358.28 69.37 o -3 6 0 34144.20 34622.00 165.82 o 3 3 0 34402.60 34512.70 611.20 o 0 6 0 14914.50 15102.40 116.47 o -2 7 0 20149.40 19761.50 235.43 o 2 5 0 20150.50 19921.40 122.37 o -4 8 0 4756.66 4622.12 69.33 o 4 4 0 4736.23 4682.01 104.49 o -1 8 0 860.29 920.56 23.35 o 1 7 0 864.48 989.05 56.05 o -3 9 0 2775.35 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1096.40 1120.17 37.05 o 2 2 15 1095.73 1104.93 38.41 o -4 5 15 577.15 559.03 31.63 o -5 4 15 574.96 530.30 29.75 o -1 5 15 370.73 387.12 28.96 o 1 4 15 369.15 385.60 30.59 o -6 6 15 193.45 198.37 27.30 o -3 6 15 597.92 585.80 38.23 o 3 3 15 599.82 626.72 33.08 o 0 6 15 93.60 88.54 25.87 o -5 7 15 327.42 337.17 27.61 o -7 5 15 326.68 326.70 26.88 o -2 7 15 553.47 560.18 27.70 o 2 5 15 553.36 559.89 30.78 o -7 8 15 369.59 402.22 27.49 o -8 7 15 371.06 381.66 26.41 o -4 8 15 215.71 226.13 29.73 o 4 4 15 215.12 206.86 26.85 o -1 8 15 379.27 372.20 27.72 o 1 7 15 380.92 380.58 27.49 o -9 9 15 1046.60 1058.15 27.11 o -6 9 15 64.11 64.73 25.82 < -9 6 15 64.25 79.05 26.56 < -3 9 15 230.90 232.55 26.98 o 3 6 15 230.21 253.51 28.92 o 0 9 15 716.04 736.49 29.59 o -8 10 15 262.46 268.31 22.40 o -10 8 15 261.27 256.98 23.48 o -5 10 15 508.06 502.97 28.03 o 5 5 15 509.75 525.87 26.62 o -2 10 15 107.02 115.95 24.25 o 2 8 15 106.34 111.11 27.40 o -10 11 15 10.57 16.87 27.22 < -11 10 15 10.46 19.06 26.25 < -7 11 15 595.88 593.82 29.13 o -11 7 15 596.49 596.09 25.72 o -4 11 15 478.91 504.35 28.59 o 4 7 15 478.66 490.72 25.67 o -1 11 15 35.63 31.93 34.88 < 1 10 15 35.90 40.38 35.05 < -12 12 15 22.11 19.55 19.41 < -9 12 15 15.91 24.03 28.26 < -12 9 15 16.01 22.89 25.35 < -6 12 15 517.34 506.02 30.95 o 6 6 15 515.86 522.38 30.91 o -3 12 15 44.41 46.14 28.38 < 3 9 15 44.55 60.33 29.31 < 0 12 15 34.59 34.53 27.79 < -11 13 15 457.26 446.73 32.92 o -13 11 15 457.29 459.24 25.67 o -8 13 15 126.52 149.57 26.29 o -13 8 15 126.90 129.74 24.98 o -5 13 15 127.20 124.15 23.91 o 5 8 15 128.08 132.13 24.27 o -2 13 15 512.80 513.84 31.12 o 2 11 15 512.57 481.01 31.67 o -13 14 15 162.96 160.48 19.70 o -14 13 15 162.25 161.62 17.39 o -10 14 15 170.10 188.49 25.65 o -14 10 15 169.30 165.11 22.08 o -7 14 15 73.16 56.74 24.23 < 7 7 15 73.63 74.83 23.46 o -4 14 15 239.47 252.16 33.37 o 4 10 15 238.71 229.59 23.83 o -1 14 15 119.02 118.31 24.94 o 1 13 15 118.38 97.36 20.27 o -15 15 15 58.77 57.01 12.67 o -12 15 15 488.09 511.79 24.93 o -15 12 15 489.31 478.64 23.90 o -9 15 15 86.58 86.25 19.97 o -15 9 15 86.57 78.62 20.37 o -6 15 15 134.31 100.88 21.44 o 6 9 15 134.84 126.82 23.19 o -3 15 15 222.17 211.07 24.22 o 3 12 15 222.91 208.54 17.97 o 0 15 15 85.10 78.60 26.54 < -14 16 15 65.76 60.96 14.49 o -16 14 15 65.39 77.76 18.05 o -11 16 15 216.56 217.37 19.18 o -16 11 15 216.67 203.95 16.35 o -8 16 15 294.14 261.63 24.00 o 8 8 15 293.25 274.55 20.71 o -5 16 15 126.51 129.60 27.37 o 5 11 15 126.45 101.03 15.74 o -2 16 15 63.28 53.32 17.86 < -10 17 15 79.02 83.15 13.47 o -17 10 15 79.47 75.86 17.26 o -7 17 15 148.33 155.84 17.48 o 7 10 15 148.85 141.56 16.16 o -1 1 16 93.59 110.72 25.83 o 0 2 16 1520.17 1489.58 65.59 o -2 3 16 178.64 183.83 29.02 o -3 2 16 177.52 201.89 32.41 o -4 4 16 891.44 906.48 39.27 o -1 4 16 366.67 396.06 33.72 o 1 3 16 368.34 366.20 31.18 o -3 5 16 147.63 152.82 27.27 o -5 3 16 147.33 163.20 30.98 o 0 5 16 787.44 738.63 31.42 o -5 6 16 307.65 305.76 26.66 o -6 5 16 308.76 314.33 26.58 o -2 6 16 401.71 390.75 27.22 o 2 4 16 402.12 391.88 32.01 o -7 7 16 1215.90 1163.91 51.67 o -4 7 16 106.50 110.27 26.00 o -7 4 16 106.19 102.51 26.54 o -1 7 16 158.35 157.35 27.17 o 1 6 16 157.60 142.64 25.82 o -6 8 16 144.38 139.58 22.68 o -8 6 16 143.55 149.38 23.78 o -3 8 16 288.36 301.10 26.17 o 3 5 16 289.59 303.31 31.18 o 0 8 16 16.06 34.41 27.86 < -8 9 16 50.92 63.25 27.07 < -9 8 16 50.52 51.67 25.99 < -5 9 16 415.98 431.47 25.13 o -9 5 16 415.64 466.77 30.95 o -2 9 16 840.05 880.84 33.65 o 2 7 16 839.45 886.36 43.46 o -10 10 16 6.48 0.35 22.55 < -7 10 16 149.10 137.99 29.51 o -10 7 16 149.87 172.87 28.58 o -4 10 16 333.56 358.73 28.65 o 4 6 16 332.35 355.02 26.61 o -1 10 16 96.72 102.18 31.28 o 1 9 16 97.28 103.04 31.70 o -9 11 16 645.30 675.95 29.52 o -11 9 16 645.49 679.29 26.16 o -6 11 16 221.13 218.22 26.76 o -11 6 16 221.32 227.56 27.40 o -3 11 16 68.24 71.65 26.09 < 3 8 16 68.77 66.70 25.16 < 0 11 16 857.84 844.04 31.95 o -11 12 16 8.61 -2.48 16.85 < -12 11 16 8.52 11.21 15.54 < -8 12 16 95.79 103.56 22.87 o -12 8 16 95.21 88.54 21.37 o -5 12 16 93.24 85.71 21.35 o 5 7 16 93.80 90.77 23.71 o -2 12 16 20.69 40.28 24.44 < 2 10 16 20.48 27.00 24.20 < -13 13 16 472.18 441.36 21.97 o -10 13 16 132.55 131.08 18.30 o -13 10 16 133.21 126.84 17.53 o -7 13 16 258.86 255.86 20.34 o -13 7 16 258.82 270.52 26.55 o -4 13 16 304.25 278.32 22.80 o 4 9 16 304.29 267.95 20.70 o -1 13 16 112.40 102.48 17.63 o 1 12 16 112.97 118.35 17.98 o -12 14 16 58.07 67.60 16.57 o -14 12 16 57.77 51.40 13.25 o -9 14 16 107.23 118.63 18.12 o -14 9 16 107.25 96.80 17.53 o -6 14 16 224.74 213.51 20.76 o 6 8 16 223.93 216.48 25.94 o -3 14 16 62.29 52.85 18.74 < 3 11 16 62.05 53.99 18.67 < -11 15 16 172.00 162.37 15.30 o -15 11 16 171.86 170.12 17.28 o -8 15 16 84.32 69.06 19.16 o -15 8 16 84.53 87.84 19.57 o -5 15 16 85.76 71.17 30.60 < 5 10 16 86.13 95.19 21.32 o -7 16 16 312.57 313.49 20.53 o 7 9 16 312.73 313.08 29.45 o 0 1 17 14.15 16.80 22.94 < -2 2 17 645.92 661.94 31.47 o -1 3 17 242.98 278.46 26.63 o 1 2 17 241.75 237.05 26.66 o -3 4 17 200.00 206.43 26.24 o -4 3 17 200.97 239.16 26.80 o 0 4 17 539.24 510.55 28.42 o -5 5 17 301.04 309.75 33.42 o -2 5 17 178.65 171.99 27.98 o 2 3 17 177.85 193.17 27.17 o -4 6 17 234.24 222.34 27.22 o -6 4 17 234.20 256.75 34.13 o -1 6 17 320.42 278.14 35.93 o 1 5 17 321.57 323.64 37.32 o -6 7 17 179.10 182.75 31.16 o -7 6 17 178.12 171.81 28.03 o -3 7 17 92.28 118.51 35.98 o 3 4 17 91.85 112.66 35.24 o 0 7 17 275.46 281.83 40.69 o -8 8 17 18.75 17.36 24.79 < -5 8 17 429.85 443.39 33.84 o -8 5 17 431.18 447.10 33.26 o -2 8 17 88.65 89.14 27.49 o 2 6 17 87.99 81.53 39.45 < -7 9 17 381.32 419.78 26.40 o -9 7 17 381.01 379.08 23.95 o -4 9 17 280.73 252.22 25.20 o 4 5 17 280.82 274.84 28.01 o -1 9 17 64.94 50.73 26.17 < 1 8 17 64.47 63.23 32.88 < -9 10 17 46.10 42.67 17.54 < -10 9 17 46.43 50.22 17.85 < -6 10 17 202.77 191.90 22.69 o -10 6 17 202.05 210.21 22.43 o -3 10 17 150.36 134.28 20.02 o 3 7 17 151.05 147.76 30.49 o 0 10 17 5.04 12.86 20.47 < -11 11 17 509.23 477.77 21.05 o -8 11 17 23.98 23.91 18.00 < -11 8 17 24.10 18.28 17.64 < -5 11 17 135.82 109.27 18.62 o 5 6 17 136.20 134.42 20.34 o -2 11 17 458.25 435.03 27.41 o 2 9 17 458.14 462.53 29.13 o -10 12 17 66.13 57.99 13.70 o -12 10 17 65.75 61.63 11.54 o -7 12 17 82.65 72.65 15.55 o -12 7 17 83.24 73.60 16.67 o -4 12 17 189.43 155.77 16.37 o 4 8 17 188.72 207.02 32.00 o -1 12 17 28.81 24.62 13.67 < 1 11 17 28.57 30.89 16.50 < -9 13 17 187.50 184.69 14.66 o -13 9 17 187.43 171.22 14.33 o -6 13 17 84.99 76.16 15.27 o 6 7 17 85.19 84.67 25.04 o -3 13 17 60.21 68.08 15.74 o 3 10 17 60.59 64.55 24.55 < -8 14 17 300.85 304.89 31.79 o -14 8 17 299.96 287.04 17.31 o -5 14 17 39.77 47.46 25.38 < 5 9 17 39.83 26.24 16.92 < 0 0 18 1240.87 1313.12 77.82 o -1 2 18 86.13 75.97 27.82 < 1 1 18 86.70 85.02 27.94 o -3 3 18 25.85 19.21 31.28 < 0 3 18 68.31 85.74 34.09 < -2 4 18 487.88 505.57 51.09 o 2 2 18 488.13 507.94 32.16 o -4 5 18 67.86 53.37 28.85 < -5 4 18 67.42 83.97 25.67 o -1 5 18 126.58 140.76 34.23 o 1 4 18 125.88 144.46 28.38 o -6 6 18 101.85 90.38 25.48 o -3 6 18 330.41 342.62 37.80 o 3 3 18 331.57 350.12 27.76 o 0 6 18 162.45 159.01 32.04 o -5 7 18 381.85 362.03 42.36 o -7 5 18 381.83 357.77 23.78 o -2 7 18 254.15 230.92 33.47 o 2 5 18 253.88 257.00 32.98 o -7 8 18 114.03 99.80 20.96 o -8 7 18 114.61 111.57 18.67 o -4 8 18 125.05 116.44 21.64 o 4 4 18 124.42 116.47 22.06 o -1 8 18 116.57 84.97 18.66 o 1 7 18 117.05 112.73 27.25 o -9 9 18 499.55 455.04 32.21 o -6 9 18 103.19 111.77 19.70 o -9 6 18 102.82 95.97 19.03 o -3 9 18 25.43 20.02 19.78 < 3 6 18 25.42 30.10 20.56 < 0 9 18 655.00 570.27 78.93 o -8 10 18 14.34 22.51 14.71 < -10 8 18 14.19 17.29 14.04 < -5 10 18 105.11 107.45 16.16 o 5 5 18 105.68 78.27 18.29 o -2 10 18 50.60 39.62 18.32 < 2 8 18 50.25 50.37 20.14 < -10 11 18 40.65 46.88 17.37 < -11 10 18 40.92 58.75 25.43 < -7 11 18 232.17 246.67 14.70 o -11 7 18 231.97 204.36 14.01 o -4 11 18 278.47 248.32 24.14 o 4 7 18 278.64 263.25 20.80 o -1 11 18 19.06 30.18 24.64 < 1 10 18 19.17 33.33 24.20 < -6 12 18 158.69 154.09 26.60 o 6 6 18 158.08 158.30 20.19 o -1 1 19 26.28 32.39 21.25 < 0 2 19 448.72 433.13 26.38 o -2 3 19 37.65 51.16 30.23 < -3 2 19 37.40 33.67 22.82 < -4 4 19 177.70 161.19 32.93 o -1 4 19 183.42 168.26 24.23 o 1 3 19 184.12 184.87 24.81 o -3 5 19 98.28 95.39 31.04 o -5 3 19 97.90 86.79 18.52 o 0 5 19 36.07 31.56 17.91 < -5 6 19 233.28 210.65 24.67 o -6 5 19 234.18 198.42 24.20 o -2 6 19 135.22 139.92 24.03 o 2 4 19 134.71 111.75 21.86 o -7 7 19 160.28 162.74 19.60 o -4 7 19 140.75 138.71 22.01 o -7 4 19 140.30 104.03 17.07 o -1 7 19 81.48 71.02 18.17 o 1 6 19 80.99 55.24 14.53 o -6 8 19 29.62 35.19 17.48 < -8 6 19 29.50 23.85 15.23 < -3 8 19 250.78 250.87 19.90 o 3 5 19 251.56 244.19 19.37 o 0 8 19 6.89 5.75 17.48 < -5 9 19 101.62 101.44 15.96 o -9 5 19 101.64 96.64 19.21 o -2 9 19 243.39 231.91 19.79 o 2 7 19 243.58 239.50 28.44 o -2 2 20 485.49 304.55 28.34 o -1 3 20 13.57 20.34 25.85 < -3 4 20 147.94 140.59 20.44 o -4 3 20 148.56 128.58 18.98 o 0 4 20 161.63 165.78 26.97 o -2 5 20 42.10 50.73 24.62 < 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 ? ? ? ? ? ? ? ? ?