#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108223.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_2108223 _cod_data_source_file xk5046VIIsup8.hkl _cod_data_source_block VII 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 5345.93 5501.85 74.78 o 1 1 0 5434.35 5586.01 113.13 o 0 3 0 4708.65 4576.38 33.17 o -2 4 0 30562.20 29397.10 418.52 o 2 2 0 30363.30 29731.60 421.14 o -1 5 0 8572.20 8529.01 45.76 o 1 4 0 8535.69 8574.55 80.92 o -3 6 0 34382.10 35677.10 290.94 o 3 3 0 34717.60 35282.20 334.70 o 0 6 0 15428.60 15242.80 144.50 o -2 7 0 20463.80 20536.80 110.18 o 2 5 0 20465.50 20460.70 120.40 o -4 8 0 4867.60 4771.75 69.11 o 4 4 0 4818.94 4703.63 64.64 o -1 8 0 876.16 886.56 39.70 o 1 7 0 889.09 902.20 54.26 o -3 9 0 2946.29 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39.10 14.49 < -18 10 14 42.90 47.08 14.35 o -7 18 14 571.42 569.35 24.38 o 7 11 14 570.73 592.27 31.11 o 0 0 15 1289.67 1227.89 83.61 o -1 2 15 209.46 214.99 34.55 o 1 1 15 213.93 223.71 30.30 o -3 3 15 249.44 255.34 30.10 o 0 3 15 96.61 107.61 29.36 o -2 4 15 1256.19 1306.98 37.81 o 2 2 15 1253.64 1206.59 40.00 o -4 5 15 640.75 644.94 37.66 o -5 4 15 632.77 625.14 31.19 o -1 5 15 421.02 406.62 33.93 o 1 4 15 415.20 404.98 31.51 o -6 6 15 233.30 266.20 33.71 o -3 6 15 648.67 657.74 31.10 o 3 3 15 655.62 644.83 33.03 o 0 6 15 110.73 106.34 26.66 o -5 7 15 400.18 411.53 29.33 o -7 5 15 397.54 395.52 29.12 o -2 7 15 647.46 668.31 34.20 o 2 5 15 647.08 650.81 38.75 o -7 8 15 396.65 404.15 29.72 o -8 7 15 402.13 413.32 27.06 o -4 8 15 257.08 245.02 27.76 o 4 4 15 254.77 281.48 30.40 o -1 8 15 406.42 418.59 32.82 o 1 7 15 412.56 409.55 33.29 o -9 9 15 1206.96 1241.72 34.86 o -6 9 15 79.99 95.39 26.03 o -9 6 15 80.65 98.70 27.00 o -3 9 15 279.11 261.52 27.02 o 3 6 15 276.58 265.87 28.92 o 0 9 15 834.83 828.83 38.23 o -8 10 15 295.64 297.47 26.50 o -10 8 15 291.01 288.43 26.39 o -5 10 15 570.26 549.57 29.98 o 5 5 15 576.64 620.11 32.74 o -2 10 15 125.52 131.84 27.65 o 2 8 15 122.85 123.41 28.47 o -10 11 15 14.54 18.18 31.54 < -11 10 15 14.07 19.97 29.20 < -7 11 15 694.40 671.19 30.70 o -11 7 15 696.57 737.51 27.90 o -4 11 15 571.71 538.86 30.07 o 4 7 15 570.68 595.89 32.04 o -1 11 15 46.83 59.71 31.63 < 1 10 15 47.88 65.58 45.81 < -12 12 15 40.26 51.98 23.37 < -9 12 15 21.93 25.94 26.16 < -12 9 15 22.33 38.67 27.52 < -6 12 15 569.54 610.29 31.47 o 6 6 15 563.84 581.14 37.15 o -3 12 15 65.21 66.70 30.22 < 3 9 15 65.77 88.57 30.36 < 0 12 15 41.87 46.59 33.46 < -11 13 15 551.85 547.37 23.86 o -13 11 15 551.92 554.19 25.83 o -8 13 15 158.52 154.92 27.59 o -13 8 15 160.06 177.80 26.41 o -5 13 15 138.45 150.80 30.47 o 5 8 15 141.82 149.74 29.83 o -2 13 15 620.10 600.15 41.99 o 2 11 15 619.16 617.69 41.67 o -13 14 15 178.02 175.39 15.64 o -14 13 15 175.20 180.87 19.07 o -10 14 15 189.96 197.60 21.87 o -14 10 15 186.82 200.32 24.44 o -7 14 15 93.35 97.59 26.64 o 7 7 15 95.28 102.28 22.08 o -4 14 15 274.29 253.55 23.32 o 4 10 15 271.17 251.65 35.14 o -1 14 15 137.01 133.30 32.46 o 1 13 15 134.37 135.99 33.93 o -15 15 15 83.39 88.00 16.41 o -12 15 15 554.71 545.98 25.77 o -15 12 15 559.59 530.81 34.26 o -9 15 15 106.80 102.74 18.18 o -15 9 15 106.65 103.94 18.70 o -6 15 15 176.43 170.40 20.65 o 6 9 15 178.56 170.00 25.71 o -3 15 15 247.87 218.18 31.35 o 3 12 15 250.86 253.03 34.49 o 0 15 15 108.72 92.23 28.59 o -14 16 15 91.53 91.26 19.06 o -16 14 15 89.92 97.37 15.73 o -11 16 15 259.95 239.62 22.53 o -16 11 15 260.46 256.96 16.59 o -8 16 15 344.24 339.92 20.71 o 8 8 15 340.57 309.35 18.29 o -5 16 15 167.48 156.09 20.56 o 5 11 15 167.29 179.12 24.78 o 2 14 15 79.76 63.25 27.81 < -10 17 15 90.50 81.52 14.92 o -17 10 15 92.37 101.19 18.16 o -7 17 15 175.15 151.33 21.11 o 7 10 15 177.36 199.41 20.17 o -1 1 16 132.03 139.03 32.73 o 0 2 16 1705.78 1644.38 58.22 o -2 3 16 194.12 236.75 34.20 o -3 2 16 190.04 171.31 26.91 o -4 4 16 1040.69 1033.88 44.43 o -1 4 16 386.64 395.92 30.49 o 1 3 16 392.69 376.88 30.35 o -3 5 16 179.42 188.66 29.06 o -5 3 16 178.29 170.81 28.58 o 0 5 16 903.83 846.84 37.98 o -5 6 16 343.05 355.44 29.17 o -6 5 16 347.16 360.11 29.69 o -2 6 16 484.06 485.76 32.50 o 2 4 16 485.75 475.15 28.85 o -7 7 16 1398.11 1438.02 35.65 o -4 7 16 128.38 144.24 26.02 o -7 4 16 127.30 135.43 25.84 o -1 7 16 202.77 199.26 26.91 o 1 6 16 199.77 205.04 26.46 o -6 8 16 176.82 180.88 25.00 o -8 6 16 173.62 170.27 26.43 o -3 8 16 313.33 313.51 26.18 o 3 5 16 317.95 299.01 25.45 o 0 8 16 24.15 33.17 32.01 < -8 9 16 64.90 75.67 31.28 < -9 8 16 63.33 63.16 27.73 < -5 9 16 502.07 522.81 29.01 o -9 5 16 500.52 480.45 29.98 o -2 9 16 975.13 980.84 35.18 o 2 7 16 972.98 1053.23 39.36 o -10 10 16 11.14 17.68 28.31 < -7 10 16 171.95 173.28 27.48 o -10 7 16 175.04 200.71 34.63 o -4 10 16 377.12 351.10 28.31 o 4 6 16 372.48 390.71 31.82 o -1 10 16 115.28 105.89 34.37 o 1 9 16 117.61 131.59 29.52 o -9 11 16 775.86 817.17 31.13 o -11 9 16 776.67 783.48 28.23 o -6 11 16 283.41 297.30 29.29 o -11 6 16 284.24 298.06 29.51 o -3 11 16 78.83 89.53 28.72 o 3 8 16 80.87 100.88 28.49 o 0 11 16 1030.86 1004.09 115.15 o -11 12 16 10.98 12.35 19.36 < -12 11 16 10.65 16.73 19.09 < -8 12 16 109.47 100.26 27.15 o -12 8 16 107.16 115.43 24.30 o -5 12 16 109.77 120.24 26.93 o 5 7 16 112.00 106.65 24.25 o -2 12 16 23.33 25.93 29.42 < 2 10 16 22.53 38.33 31.78 < -13 13 16 592.07 557.89 19.46 o -10 13 16 156.22 165.96 18.18 o -13 10 16 158.97 140.85 19.27 o -7 13 16 318.79 288.55 30.33 o -13 7 16 318.57 315.49 23.17 o -4 13 16 379.13 368.53 33.41 o 4 9 16 379.45 362.45 28.65 o -1 13 16 126.70 113.23 22.67 o 1 12 16 129.03 111.52 22.85 o -12 14 16 79.96 73.54 13.30 o -14 12 16 78.63 74.06 14.94 o -9 14 16 137.41 130.80 17.66 o -14 9 16 137.53 126.69 17.63 o -6 14 16 261.09 249.83 18.72 o 6 8 16 257.87 244.45 18.54 o -3 14 16 89.74 74.56 20.04 o 3 11 16 88.60 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339.86 349.46 29.38 o 4 5 17 340.29 367.95 35.72 o -1 9 17 78.26 96.95 28.95 o 1 8 17 76.34 70.50 24.69 < -9 10 17 53.28 46.22 21.56 < -10 9 17 54.61 60.03 26.97 < -6 10 17 236.24 196.56 25.32 o -10 6 17 233.37 270.48 27.61 o -3 10 17 173.87 188.13 28.36 o 3 7 17 176.64 166.94 25.07 o -11 11 17 615.21 564.49 40.04 o -8 11 17 33.33 29.45 23.21 < -11 8 17 33.85 34.48 21.20 < -5 11 17 168.69 139.43 20.99 o 5 6 17 170.20 163.46 20.70 o -2 11 17 556.69 510.44 60.76 o 2 9 17 556.16 547.03 28.10 o -10 12 17 79.02 75.19 14.21 o -12 10 17 77.47 79.96 19.45 o -7 12 17 96.39 68.58 19.41 o -12 7 17 98.78 92.78 19.56 o -4 12 17 215.84 220.20 25.57 o 4 8 17 212.96 198.32 19.09 o -1 12 17 35.77 47.49 24.69 < 1 11 17 34.72 38.15 24.23 < -9 13 17 229.48 175.62 17.95 o -13 9 17 229.10 230.49 19.67 o -6 13 17 109.07 100.81 17.59 o 6 7 17 109.86 102.78 15.50 o -3 13 17 65.69 66.27 17.30 o 3 10 17 67.22 60.41 17.36 o -8 14 17 346.30 328.26 24.13 o -14 8 17 342.66 333.76 24.27 o -5 14 17 57.78 52.84 28.00 < 5 9 17 58.04 59.91 28.40 < 0 0 18 1421.89 1519.06 87.79 o -1 2 18 96.39 104.64 27.68 o 1 1 18 98.58 116.29 35.41 o -3 3 18 37.44 43.26 33.33 < 0 3 18 88.13 88.23 36.41 < -2 4 18 577.71 597.38 36.31 o 2 2 18 578.75 549.87 28.96 o -4 5 18 76.68 70.93 31.44 < -5 4 18 75.03 70.01 36.82 < -1 5 18 150.43 146.88 32.59 o 1 4 18 147.67 142.25 26.07 o -6 6 18 140.94 132.88 27.70 o -3 6 18 362.74 336.63 31.78 o 3 3 18 367.22 380.99 32.32 o 0 6 18 206.42 201.70 28.51 o -5 7 18 458.61 463.88 27.22 o -7 5 18 458.44 429.71 37.65 o -2 7 18 303.95 276.90 26.86 o 2 5 18 302.94 312.91 29.40 o -7 8 18 130.43 117.86 23.80 o -8 7 18 132.76 120.91 24.14 o -4 8 18 151.69 139.13 22.90 o 4 4 18 149.21 139.44 26.79 o -1 8 18 141.41 142.14 23.83 o 1 7 18 143.39 167.58 23.71 o -9 9 18 607.57 595.29 23.52 o -6 9 18 131.02 116.60 22.30 o -9 6 18 129.52 128.90 19.59 o -3 9 18 38.23 40.51 21.31 < 3 6 18 38.08 39.92 21.69 < 0 9 18 784.39 752.28 55.96 o -8 10 18 18.97 30.29 21.76 < -10 8 18 18.40 20.29 17.59 < -5 10 18 117.65 122.19 23.06 o 5 5 18 119.96 107.49 19.76 o -2 10 18 56.16 61.89 20.00 o 2 8 18 54.74 47.16 14.05 o -10 11 18 47.29 63.66 27.64 < -11 10 18 48.47 39.49 18.95 < -7 11 18 287.87 259.35 42.36 o -11 7 18 287.05 273.73 21.89 o -4 11 18 347.63 354.21 28.26 o 4 7 18 348.43 294.32 44.53 o -1 11 18 19.11 27.05 27.16 < 1 10 18 19.55 33.35 26.82 < -6 12 18 185.14 168.31 17.36 o 6 6 18 182.65 174.36 22.92 o -1 1 19 28.89 29.67 28.06 < 0 2 19 537.28 508.63 34.74 o -2 3 19 48.36 59.24 22.04 < -3 2 19 47.37 71.52 27.98 < -4 4 19 219.94 161.25 20.90 o -1 4 19 207.66 186.52 23.98 o 1 3 19 210.54 178.27 24.59 o -3 5 19 129.32 134.81 23.46 o -5 3 19 127.80 124.34 25.14 o 0 5 19 47.44 41.42 24.53 < -5 6 19 258.12 235.68 23.24 o -6 5 19 261.70 250.57 24.82 o -2 6 19 169.00 130.85 20.15 o 2 4 19 166.90 133.77 23.01 o -7 7 19 201.39 189.04 19.68 o -4 7 19 170.54 145.84 20.78 o -7 4 19 168.70 139.03 23.32 o -1 7 19 94.76 91.56 20.67 o 1 6 19 92.76 74.09 20.08 o -6 8 19 40.83 40.42 21.40 < -8 6 19 40.33 39.76 17.28 < -3 8 19 286.84 235.53 84.48 < 3 5 19 290.04 275.24 20.64 o 0 8 19 10.05 6.71 18.72 < -5 9 19 131.74 134.83 31.83 o -9 5 19 131.89 121.91 20.88 o -2 9 19 300.58 307.70 31.41 o 2 7 19 301.33 323.38 30.66 o 0 1 20 7.48 5.89 19.14 < -2 2 20 581.29 469.10 56.12 o -1 3 20 19.29 11.81 15.24 < 1 2 20 18.87 15.98 17.43 < -3 4 20 165.70 154.82 21.56 o -4 3 20 168.20 180.92 22.51 o 0 4 20 199.98 159.52 16.75 o -2 5 20 53.90 49.60 25.77 < 2 3 20 53.72 27.90 26.05 < 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 ? ? ? ? ? ? ? ? ?