#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108224.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_2108224 _cod_data_source_file xk5046VIIIsup9.hkl _cod_data_source_block VIII 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 5361.97 5514.36 91.12 o 1 1 0 5439.16 5682.72 86.33 o 0 3 0 4721.95 4562.36 40.37 o -2 4 0 30585.20 29366.80 466.14 o 2 2 0 30400.40 29394.50 252.12 o -1 5 0 8553.97 8538.30 52.18 o 1 4 0 8523.20 8530.45 47.75 o -3 6 0 34390.70 35081.90 244.74 o 3 3 0 34696.20 34684.80 398.67 o 0 6 0 15384.10 15554.90 146.11 o -2 7 0 20557.30 20348.80 205.35 o 2 5 0 20558.80 20163.40 107.76 o -4 8 0 4861.80 4898.09 70.76 o 4 4 0 4823.07 4758.98 176.01 o -1 8 0 882.08 945.33 32.49 o 1 7 0 891.93 940.02 57.51 o -3 9 0 2923.92 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30.91 o -3 3 15 242.31 255.77 35.19 o 0 3 15 93.01 105.89 30.78 o -2 4 15 1261.15 1208.43 43.58 o 2 2 15 1259.20 1295.44 42.15 o -4 5 15 654.29 610.11 34.25 o -5 4 15 648.25 632.95 32.25 o -1 5 15 424.18 436.92 29.22 o 1 4 15 419.80 420.27 32.76 o -6 6 15 237.71 240.33 28.13 o -3 6 15 678.05 643.42 37.01 o 3 3 15 683.39 691.55 35.57 o 0 6 15 115.81 117.14 27.47 o -5 7 15 397.34 389.61 28.42 o -7 5 15 395.29 369.27 28.52 o -2 7 15 655.32 625.89 31.27 o 2 5 15 655.05 617.21 32.77 o -7 8 15 404.05 401.42 29.04 o -8 7 15 408.17 394.02 27.81 o -4 8 15 256.25 250.47 32.28 o 4 4 15 254.52 241.87 28.41 o -1 8 15 419.30 408.29 29.25 o 1 7 15 423.95 421.67 29.61 o -9 9 15 1234.22 1240.04 44.17 o -6 9 15 78.63 93.81 25.35 o -9 6 15 79.08 79.41 26.01 o -3 9 15 282.12 272.02 30.84 o 3 6 15 280.14 281.05 30.05 o 0 9 15 853.03 851.43 43.09 o -8 10 15 301.36 311.31 24.05 o -10 8 15 297.87 294.83 24.80 o -5 10 15 579.92 608.83 30.93 o 5 5 15 584.72 601.16 27.55 o -2 10 15 125.90 113.18 26.15 o 2 8 15 123.91 134.28 29.12 o -10 11 15 13.89 27.15 30.59 < -11 10 15 13.56 38.97 29.50 < -7 11 15 708.51 705.33 31.57 o -11 7 15 710.22 704.57 28.35 o -4 11 15 572.97 554.57 30.40 o 4 7 15 572.22 571.54 27.56 o -1 11 15 47.62 57.89 37.32 < 1 10 15 48.44 54.14 37.25 < -12 12 15 36.32 28.82 20.34 < -9 12 15 21.51 41.26 30.21 < -12 9 15 21.84 36.41 31.28 < -6 12 15 589.66 613.84 33.82 o 6 6 15 585.34 619.69 30.29 o -3 12 15 61.94 70.93 31.08 < 3 9 15 62.40 70.81 31.64 < 0 12 15 40.96 28.98 29.71 < -11 13 15 556.30 520.41 30.77 o -13 11 15 556.34 558.26 27.96 o -8 13 15 160.29 171.73 27.81 o -13 8 15 161.46 166.99 26.74 o -5 13 15 143.33 170.69 25.83 o 5 8 15 145.90 147.90 30.36 o -2 13 15 628.19 644.79 34.75 o 2 11 15 627.49 646.97 35.21 o -13 14 15 186.11 167.16 20.86 o -14 13 15 183.97 170.39 18.76 o -10 14 15 196.55 190.06 26.62 o -14 10 15 194.17 179.83 23.23 o -7 14 15 92.67 97.19 26.38 o 7 7 15 94.07 82.00 25.21 o -4 14 15 284.12 302.59 36.35 o 4 10 15 281.77 244.19 25.35 o -1 14 15 141.89 127.84 26.26 o 1 13 15 139.89 122.74 27.47 o -15 15 15 82.65 79.95 16.87 o -12 15 15 570.14 593.15 27.37 o -15 12 15 573.81 553.07 25.30 o -9 15 15 109.81 98.28 21.93 o -15 9 15 109.70 97.01 21.66 o -6 15 15 175.98 159.83 23.43 o 6 9 15 177.60 169.19 24.96 o -3 15 15 256.83 243.08 25.90 o 3 12 15 259.09 245.96 23.71 o 0 15 15 113.04 114.62 30.30 o -14 16 15 89.99 96.49 15.89 o -16 14 15 88.80 81.02 19.84 o -11 16 15 264.81 259.43 18.05 o -16 11 15 265.18 257.92 26.37 o -8 16 15 349.76 323.34 31.59 o 8 8 15 347.01 327.43 19.72 o -5 16 15 167.15 167.87 30.21 o 5 11 15 166.97 145.17 17.53 o -2 16 15 81.96 82.11 20.04 o 2 14 15 82.09 94.75 28.09 o -10 17 15 94.45 85.04 14.54 o -17 10 15 95.86 109.13 15.69 o -7 17 15 180.23 180.04 19.60 o 7 10 15 181.87 179.94 16.98 o -1 1 16 124.67 129.10 28.89 o 0 2 16 1731.36 1676.65 69.57 o -2 3 16 204.36 191.82 30.23 o -3 2 16 201.18 226.65 34.84 o -4 4 16 1054.14 1039.08 39.76 o -1 4 16 397.43 378.59 34.97 o 1 3 16 402.04 384.05 33.62 o -3 5 16 178.97 165.20 29.38 o -5 3 16 178.10 194.32 33.58 o 0 5 16 920.32 890.75 31.06 o -5 6 16 354.76 333.46 28.91 o -6 5 16 357.91 368.17 28.58 o -2 6 16 480.58 461.08 29.61 o 2 4 16 481.83 485.65 37.65 o -7 7 16 1407.20 1360.85 54.78 o -4 7 16 126.63 112.50 27.95 o -7 4 16 125.80 152.86 28.15 o -1 7 16 200.01 207.71 27.06 o 1 6 16 197.75 196.63 27.49 o -6 8 16 176.68 182.41 23.96 o -8 6 16 174.23 174.84 25.79 o -3 8 16 327.76 317.17 30.30 o 3 5 16 331.29 361.90 30.75 o 0 8 16 21.63 27.47 37.85 < -8 9 16 64.25 71.01 28.31 < -9 8 16 63.04 84.02 27.50 o -5 9 16 505.69 470.85 26.96 o -9 5 16 504.59 511.67 33.98 o -2 9 16 988.49 1035.86 36.41 o 2 7 16 986.78 1013.81 46.16 o -10 10 16 10.21 15.75 22.64 < -7 10 16 175.12 175.20 30.68 o -10 7 16 177.45 187.74 26.67 o -4 10 16 384.52 393.91 30.98 o 4 6 16 381.02 388.16 28.04 o -1 10 16 114.82 108.43 28.15 o 1 9 16 116.55 122.53 33.58 o -9 11 16 790.45 729.61 40.36 o -11 9 16 791.06 825.54 28.39 o -6 11 16 281.07 264.36 28.72 o -11 6 16 281.67 273.11 28.56 o -3 11 16 80.73 102.12 28.14 o 3 8 16 82.28 81.39 27.31 < 0 11 16 1044.90 1021.63 35.45 o -11 12 16 10.94 8.62 17.81 < -12 11 16 10.68 20.56 17.74 < -8 12 16 114.40 135.59 24.12 o -12 8 16 112.63 110.94 22.96 o -5 12 16 113.23 117.76 23.19 o 5 7 16 114.93 110.18 25.62 o -2 12 16 24.58 24.65 25.95 < 2 10 16 23.95 19.45 25.94 < -13 13 16 587.75 541.03 41.47 o -10 13 16 157.56 152.82 19.70 o -13 10 16 159.61 160.94 17.78 o -7 13 16 314.71 295.39 22.16 o -13 7 16 314.58 321.20 28.17 o -4 13 16 380.93 349.28 37.25 o 4 9 16 381.12 375.08 27.24 o -1 13 16 130.24 131.64 24.14 o 1 12 16 131.99 138.90 19.67 o -12 14 16 77.86 79.29 18.06 o -14 12 16 76.88 66.34 14.91 o -9 14 16 135.86 127.21 18.85 o -14 9 16 135.94 111.27 18.51 o -6 14 16 271.39 217.17 26.08 o 6 8 16 268.94 262.09 43.81 o -3 14 16 86.34 73.56 20.63 o 3 11 16 85.53 71.95 19.95 o -11 15 16 223.46 217.91 17.28 o -15 11 16 222.98 193.78 16.07 o -8 15 16 113.77 93.97 21.18 o -15 8 16 114.48 103.34 21.18 o -5 15 16 101.71 80.70 24.85 o 5 10 16 102.87 95.75 23.11 o -7 16 16 396.35 384.23 23.34 o 7 9 16 396.85 387.05 32.64 o 0 1 17 19.31 27.31 23.44 < -2 2 17 770.35 757.12 31.61 o -1 3 17 283.54 274.61 26.33 o 1 2 17 279.98 291.51 28.79 o -3 4 17 231.63 262.17 28.73 o -4 3 17 234.46 220.40 26.60 o 0 4 17 646.03 613.49 29.74 o -5 5 17 375.56 376.24 31.41 o -2 5 17 218.41 230.46 31.39 o 2 3 17 216.07 217.15 28.22 o -4 6 17 287.85 286.19 30.75 o -6 4 17 287.70 295.91 33.08 o -1 6 17 366.66 348.66 39.67 o 1 5 17 370.04 406.05 40.68 o -6 7 17 202.16 217.94 32.91 o -7 6 17 199.30 198.86 29.93 o -3 7 17 116.08 111.06 36.80 o 3 4 17 114.81 123.93 36.87 o 0 7 17 344.03 339.63 43.33 o -8 8 17 20.74 40.22 25.65 < -5 8 17 490.10 486.72 35.56 o -8 5 17 493.97 500.82 38.90 o -2 8 17 107.09 123.85 29.86 o 2 6 17 105.09 87.84 32.10 < -7 9 17 470.71 476.12 28.22 o -9 7 17 469.75 478.08 26.14 o -4 9 17 340.61 337.31 26.78 o 4 5 17 340.93 337.60 29.68 o -1 9 17 79.16 96.05 24.35 o 1 8 17 77.72 68.78 34.56 < -9 10 17 56.30 47.79 18.35 < -10 9 17 57.33 57.34 17.08 o -6 10 17 246.28 237.93 24.41 o -10 6 17 244.09 208.27 23.09 o -3 10 17 180.70 179.12 21.84 o 3 7 17 182.81 177.89 32.80 o 0 10 17 6.97 2.58 25.37 < -11 11 17 623.97 561.97 32.08 o -8 11 17 33.17 33.01 19.40 < -11 8 17 33.56 32.78 18.92 < -5 11 17 170.61 167.26 20.33 o 5 6 17 171.76 161.99 31.00 o -2 11 17 564.31 555.75 26.78 o 2 9 17 563.91 581.70 31.65 o -10 12 17 78.79 71.38 14.95 o -12 10 17 77.65 68.96 12.61 o -7 12 17 98.61 91.85 17.19 o -12 7 17 100.41 101.53 17.57 o -4 12 17 223.73 197.87 18.62 o 4 8 17 221.57 230.07 34.63 o -1 12 17 35.96 35.75 15.39 < 1 11 17 35.17 30.46 17.83 < -9 13 17 234.37 199.00 18.88 o -13 9 17 234.10 212.99 15.23 o -6 13 17 111.83 81.89 16.69 o 6 7 17 112.44 113.67 27.31 o -3 13 17 70.92 52.51 16.46 o 3 10 17 72.11 70.87 22.62 o -8 14 17 355.80 325.84 23.17 o -14 8 17 353.06 319.67 18.99 o -5 14 17 56.53 74.16 29.21 < 5 9 17 56.70 64.34 26.97 < 0 0 18 1435.37 1403.87 85.74 o -1 2 18 101.04 108.25 30.44 o 1 1 18 102.73 114.44 29.34 o -3 3 18 35.81 37.43 36.32 < 0 3 18 87.36 95.00 36.98 < -2 4 18 592.14 570.28 53.54 o 2 2 18 592.94 615.15 35.24 o -4 5 18 79.24 81.71 31.33 < -5 4 18 77.94 87.98 27.68 o -1 5 18 154.38 151.07 37.06 o 1 4 18 152.26 154.48 30.16 o -6 6 18 133.18 126.55 26.76 o -3 6 18 374.10 404.51 39.96 o 3 3 18 377.49 396.69 29.10 o 0 6 18 199.95 191.28 34.97 o -5 7 18 466.27 468.40 47.18 o -7 5 18 466.18 465.71 25.73 o -2 7 18 308.24 274.55 29.15 o 2 5 18 307.44 292.73 35.33 o -7 8 18 138.49 137.40 19.43 o -8 7 18 140.29 131.05 19.93 o -4 8 18 154.44 142.13 23.12 o 4 4 18 152.54 143.49 21.63 o -1 8 18 145.48 112.83 19.54 o 1 7 18 146.98 149.95 29.32 o -9 9 18 616.59 553.16 43.44 o -6 9 18 130.65 125.17 20.75 o -9 6 18 129.52 116.38 18.95 o -3 9 18 35.95 28.68 20.98 < 3 6 18 35.90 45.03 22.27 < 0 9 18 798.76 669.55 73.00 o -8 10 18 18.93 21.61 15.62 < -10 8 18 18.48 22.76 15.02 < -5 10 18 125.51 126.89 17.19 o 5 5 18 127.29 111.54 20.38 o -2 10 18 59.87 63.13 19.38 o 2 8 18 58.77 53.97 22.07 < -10 11 18 48.70 57.93 18.10 o -11 10 18 49.58 47.21 25.49 < -7 11 18 290.93 273.13 15.95 o -11 7 18 290.30 276.76 18.07 o -4 11 18 353.33 290.90 39.23 o 4 7 18 353.90 383.24 23.43 o -1 11 18 20.79 9.10 25.03 < 1 10 18 21.12 30.37 25.40 < 6 6 18 190.51 178.45 17.48 o -1 1 19 30.15 27.79 23.12 < 0 2 19 553.57 477.62 49.11 o -2 3 19 47.68 49.31 25.10 < -3 2 19 46.95 51.34 25.49 < -4 4 19 222.14 183.03 34.85 o -1 4 19 220.40 211.76 26.65 o 1 3 19 222.60 228.72 26.69 o -3 5 19 127.88 111.32 27.42 o -5 3 19 126.73 125.89 20.84 o 0 5 19 47.28 41.93 18.69 < -5 6 19 270.93 264.43 26.74 o -6 5 19 273.66 263.99 27.60 o -2 6 19 171.73 172.43 25.74 o 2 4 19 170.15 125.50 17.65 o -7 7 19 209.68 224.85 21.91 o -4 7 19 175.92 163.65 24.44 o -7 4 19 174.51 146.63 18.71 o -1 7 19 97.66 82.91 19.20 o 1 6 19 96.15 83.49 19.59 o -6 8 19 40.40 39.48 19.40 < -8 6 19 40.02 36.70 16.99 < -3 8 19 298.52 290.07 33.90 o 3 5 19 300.93 284.05 29.26 o 0 8 19 10.04 11.24 18.94 < -5 9 19 131.94 133.84 17.24 o -9 5 19 132.03 121.32 21.25 o -2 9 19 309.94 277.10 31.16 o 2 7 19 310.54 319.96 32.34 o -2 2 20 597.63 409.62 32.70 o -1 3 20 18.89 24.19 19.47 < 1 2 20 18.54 1.71 23.03 < -3 4 20 172.94 160.56 21.95 o -4 3 20 174.83 139.13 20.67 o 0 4 20 203.69 206.09 30.34 o -2 5 20 54.13 55.76 18.60 < 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 ? ? ? ? ? ? ? ? ?