#------------------------------------------------------------------------------ #$Date: 2020-07-10 07:57:27 +0300 (Fri, 10 Jul 2020) $ #$Revision: 254173 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108624.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_2108624 _cod_data_source_file lo5067300Ksup3.hkl _cod_data_source_block 300K 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 2 0 0 7380.18 7524.60 126.93 o 3 0 0 43780.80 46301.00 908.58 o 4 0 0 33492.80 36642.80 608.55 o 5 0 0 41994.50 46331.00 769.87 o 6 0 0 83539.60 97447.30 1556.44 o 7 0 0 948.11 719.66 23.90 o 8 0 0 1080.62 756.76 27.51 o 9 0 0 25383.40 25910.80 392.09 o 10 0 0 5617.52 6140.36 129.89 o 11 0 0 10335.90 11283.50 206.77 o 12 0 0 4121.27 4174.67 125.90 o 13 0 0 12510.70 12729.20 275.17 o 14 0 0 124.33 109.40 14.70 o 15 0 0 1040.60 1158.36 49.18 o 16 0 0 481.57 509.24 37.94 o 17 0 0 3.69 5.90 6.41 < 18 0 0 206.28 192.39 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2.46 o 15 -8 3 51.73 52.96 1.55 o 16 -8 3 202.65 218.07 5.50 o 17 -8 3 0.87 1.50 0.50 o 18 -8 3 0.38 0.44 0.57 < -14 -7 3 145.87 137.02 49.73 < -13 -7 3 64.08 57.67 12.34 o -12 -7 3 11.06 -9.96 19.36 < -11 -7 3 151.32 146.45 34.16 o -10 -7 3 91.35 109.32 28.75 o -9 -7 3 39.02 48.82 14.98 o -8 -7 3 961.81 966.21 50.92 o -7 -7 3 1.69 2.27 7.24 < -6 -7 3 0.46 -18.91 12.12 < -5 -7 3 708.70 752.55 37.19 o -4 -7 3 1460.60 1435.99 71.33 o -3 -7 3 91.34 105.82 8.85 o -2 -7 3 5.82 8.79 1.17 o -1 -7 3 426.70 421.93 16.61 o 0 -7 3 339.04 360.82 16.54 o 1 -7 3 695.82 657.36 22.98 o 2 -7 3 1300.48 1190.30 55.08 o 3 -7 3 12.40 19.32 2.95 o 4 -7 3 282.32 292.45 14.81 o 5 -7 3 2328.99 2301.48 67.77 o 6 -7 3 340.90 321.16 15.55 o 7 -7 3 8.52 13.68 4.61 < 8 -7 3 181.21 157.09 10.73 o 9 -7 3 9.18 5.20 5.79 < 10 -7 3 82.10 75.40 7.62 o 11 -7 3 269.29 249.04 19.06 o 12 -7 3 52.19 44.01 1.95 o 13 -7 3 188.59 174.91 15.63 o 14 -7 3 21.19 22.72 1.01 o 15 -7 3 133.84 130.46 3.58 o 16 -7 3 50.20 49.61 1.49 o 17 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20.56 1.14 o 19 -6 3 1.86 0.13 0.57 < 20 -6 3 42.30 51.35 1.75 o -15 -5 3 409.06 365.46 72.21 o -14 -5 3 402.28 381.98 39.60 o -13 -5 3 284.04 259.21 30.39 o -12 -5 3 488.70 519.88 44.77 o -11 -5 3 4.28 10.09 8.34 < -10 -5 3 20.48 18.35 4.57 o -9 -5 3 1093.97 882.53 37.89 o -8 -5 3 873.53 888.72 38.17 o -7 -5 3 484.32 489.00 26.49 o -6 -5 3 136.58 148.62 10.68 o -5 -5 3 1504.69 1395.05 42.09 o -4 -5 3 10.81 4.88 4.93 < -3 -5 3 8095.31 7213.13 116.41 o -2 -5 3 17.07 16.74 3.89 o -1 -5 3 80.31 79.31 7.61 o 0 -5 3 1406.01 1398.13 50.98 o 1 -5 3 3462.26 3466.95 87.38 o 2 -5 3 1304.37 1091.54 35.49 o 3 -5 3 51.14 33.07 4.34 o 4 -5 3 1161.00 1110.03 39.80 o 5 -5 3 1.30 2.23 2.85 < 6 -5 3 1769.43 1759.34 61.30 o 7 -5 3 618.24 525.53 19.76 o 8 -5 3 106.41 69.12 7.02 o 9 -5 3 139.86 180.66 13.19 o 10 -5 3 1971.96 2118.73 77.67 o 11 -5 3 51.85 38.76 6.11 o 12 -5 3 19.14 14.70 5.64 < 13 -5 3 88.75 80.35 12.69 o 14 -5 3 17.22 23.20 7.62 o 15 -5 3 354.27 359.83 24.58 o 16 -5 3 8.12 12.63 8.86 < 17 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9 47.12 51.55 3.31 o -5 -8 9 319.15 327.51 15.57 o -4 -8 9 9.09 10.57 6.33 < -3 -8 9 5.41 6.35 1.43 o -2 -8 9 230.46 244.34 17.89 o -1 -8 9 120.12 111.31 9.69 o 0 -8 9 112.10 107.45 11.25 o 1 -8 9 101.45 102.63 11.16 o 2 -8 9 31.23 37.98 5.48 o 3 -8 9 0.42 0.51 1.14 < 4 -8 9 635.64 620.88 29.74 o 5 -8 9 52.59 49.47 1.31 o 6 -8 9 0.39 2.22 0.51 o 7 -8 9 46.49 45.78 1.17 o 8 -8 9 39.32 42.10 1.10 o 9 -8 9 7.98 11.33 0.67 o 10 -8 9 155.96 147.84 3.06 o 11 -8 9 0.82 0.73 0.46 < 12 -8 9 0.67 -0.05 0.49 < 13 -8 9 26.41 27.62 0.94 o 14 -8 9 7.35 6.09 0.62 o 15 -8 9 7.56 7.63 0.67 o 16 -8 9 1.61 2.21 1.47 < -12 -7 9 1.07 3.33 1.75 < -11 -7 9 5.05 5.25 1.52 o -10 -7 9 7.93 12.23 1.96 o -9 -7 9 38.34 38.31 2.81 o -8 -7 9 331.15 252.66 16.73 o -7 -7 9 106.11 101.19 12.79 o -6 -7 9 0.89 0.81 2.10 < -5 -7 9 4.06 5.03 1.96 < -4 -7 9 288.84 325.35 23.43 o -3 -7 9 105.75 138.19 13.97 o -2 -7 9 230.86 223.64 17.65 o -1 -7 9 40.83 50.65 6.72 o 0 -7 9 113.74 119.70 13.07 o 1 -7 9 153.61 122.24 10.48 o 2 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346.92 348.15 15.81 o 11 -3 9 2074.16 2205.82 100.09 o 12 -3 9 23.58 24.26 4.83 o 13 -3 9 792.43 772.83 29.49 o 14 -3 9 473.73 449.32 8.94 o 15 -3 9 112.42 113.12 3.16 o 16 -3 9 8.32 6.93 0.64 o 17 -3 9 2.18 3.43 0.65 o 18 -3 9 6.52 5.12 0.74 o 19 -3 9 20.75 22.00 1.18 o 20 -3 9 28.48 30.90 1.36 o -21 -2 9 0.00 -0.73 0.55 < -20 -2 9 1.34 0.55 0.52 < -19 -2 9 5.14 4.85 0.71 o -18 -2 9 3.16 2.44 0.58 o -17 -2 9 3.61 6.10 0.74 o -16 -2 9 12.02 22.52 1.12 o -15 -2 9 28.97 25.43 6.23 o -14 -2 9 153.04 171.79 25.81 o -13 -2 9 19.30 14.69 7.50 < -12 -2 9 1.77 2.30 6.86 < -11 -2 9 6.88 21.05 8.00 < -10 -2 9 278.94 318.43 26.96 o -9 -2 9 16.43 8.28 8.83 < -8 -2 9 103.02 109.51 16.25 o -7 -2 9 158.27 98.23 10.51 o -6 -2 9 239.80 287.70 26.79 o -5 -2 9 380.56 350.93 26.20 o -4 -2 9 540.96 473.69 25.77 o -3 -2 9 446.00 417.41 26.21 o -2 -2 9 833.30 906.29 40.08 o -1 -2 9 1361.01 1477.39 67.73 o 0 -2 9 1530.65 1409.43 57.03 o 1 -2 9 23.35 0.33 5.84 < 2 -2 9 48.80 38.27 7.82 o 3 -2 9 971.82 862.15 29.68 o 4 -2 9 74.93 80.31 9.85 o 5 -2 9 2629.32 2548.78 67.65 o 6 -2 9 150.32 110.49 10.42 o 7 -2 9 364.44 401.21 20.09 o 8 -2 9 312.68 282.15 16.31 o 9 -2 9 825.26 717.01 26.09 o 10 -2 9 151.34 163.12 13.52 o 11 -2 9 15.48 17.43 5.30 o 12 -2 9 9.43 1.46 5.38 < 13 -2 9 2.09 -1.27 1.59 < 14 -2 9 139.72 131.34 14.30 o 15 -2 9 35.80 29.75 1.08 o 16 -2 9 22.81 22.16 0.96 o 17 -2 9 106.16 105.54 3.76 o 18 -2 9 30.64 32.16 1.36 o 19 -2 9 35.80 34.56 1.45 o 20 -2 9 3.15 3.57 0.62 o 21 -2 9 0.11 -0.30 0.49 < -21 -1 9 13.44 12.64 0.93 o -20 -1 9 39.89 31.86 1.42 o -19 -1 9 52.02 48.56 1.69 o -18 -1 9 10.54 15.86 1.01 o -17 -1 9 10.66 8.64 0.81 o -16 -1 9 11.32 11.88 7.28 < -15 -1 9 47.39 33.54 3.38 o -14 -1 9 89.68 83.50 5.09 o -13 -1 9 134.95 130.26 19.09 o -12 -1 9 291.72 348.61 25.41 o -11 -1 9 3.45 -5.37 7.38 < -10 -1 9 364.55 362.80 26.31 o -9 -1 9 636.82 631.81 32.39 o -8 -1 9 410.14 384.52 26.70 o -7 -1 9 369.95 378.95 28.29 o -6 -1 9 0.08 8.52 7.80 < -5 -1 9 13.17 2.11 7.43 < -4 -1 9 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13.98 o -9 4 9 109.49 120.71 12.68 o -8 4 9 96.58 123.94 13.75 o -7 4 9 7.69 13.19 7.40 < -6 4 9 118.94 110.16 12.79 o -5 4 9 750.08 768.55 34.10 o -4 4 9 718.10 669.45 31.39 o -3 4 9 88.65 80.06 10.96 o -2 4 9 223.95 266.73 18.38 o -1 4 9 60.08 48.63 6.32 o 0 4 9 28.75 15.66 4.80 o 1 4 9 273.01 326.45 19.59 o 2 4 9 88.60 101.97 12.28 o 3 4 9 27.79 17.98 3.99 o 4 4 9 502.71 492.23 20.43 o 5 4 9 21.63 30.24 4.17 o 6 4 9 0.37 0.37 3.26 < 7 4 9 0.44 -2.12 6.29 < 8 4 9 0.42 9.51 8.89 < 9 4 9 419.70 448.41 49.60 o 10 4 9 9.73 7.01 9.76 < 11 4 9 184.25 132.94 26.33 o 12 4 9 34.31 46.16 16.13 < 13 4 9 23.82 17.23 11.58 < -19 5 9 0.05 -0.33 0.55 < -18 5 9 0.91 2.14 0.63 o -17 5 9 0.25 0.50 0.50 < -16 5 9 0.04 -0.10 0.58 < -15 5 9 24.57 19.31 0.99 o -14 5 9 18.97 17.55 0.93 o -13 5 9 4.18 2.48 0.64 o -12 5 9 8.80 10.49 0.78 o -11 5 9 203.10 206.69 5.19 o -10 5 9 38.97 40.27 3.37 o -9 5 9 46.86 48.84 8.32 o -8 5 9 10.67 16.12 5.83 < -7 5 9 0.18 -1.79 5.07 < -6 5 9 55.10 57.30 9.96 o -5 5 9 0.44 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56.74 10.04 o 0 3 11 60.89 51.88 11.29 o 1 3 11 120.21 122.84 16.94 o 2 3 11 160.43 156.25 17.86 o 3 3 11 1.95 10.86 7.52 < 4 3 11 27.73 36.13 8.08 o 5 3 11 478.04 460.47 22.90 o 6 3 11 3.34 4.42 4.56 < 7 3 11 463.85 410.12 23.55 o 8 3 11 190.13 146.29 12.82 o 9 3 11 64.70 63.18 7.64 o 10 3 11 61.28 61.12 17.42 o 11 3 11 118.58 126.32 31.86 o 12 3 11 1.44 8.62 18.27 < -18 4 11 8.57 8.54 0.80 o -17 4 11 15.38 15.03 0.92 o -16 4 11 17.50 22.38 1.08 o -15 4 11 31.32 34.48 1.27 o -14 4 11 51.21 53.69 1.55 o -13 4 11 4.69 6.48 0.72 o -12 4 11 50.58 54.99 1.57 o -11 4 11 108.07 100.39 2.50 o -10 4 11 9.36 15.67 5.14 o -9 4 11 313.32 317.10 26.98 o -8 4 11 33.30 38.18 8.32 o -7 4 11 73.42 95.29 12.51 o -6 4 11 92.08 71.71 13.82 o -5 4 11 0.22 -2.95 5.59 < -4 4 11 313.65 340.50 22.83 o -3 4 11 124.40 151.88 14.53 o -2 4 11 107.10 113.37 15.74 o -1 4 11 101.90 77.31 12.26 o 0 4 11 129.10 101.89 15.68 o 1 4 11 406.87 412.85 31.79 o 2 4 11 179.48 174.40 15.80 o 3 4 11 582.53 664.46 34.44 o 4 4 11 24.24 11.16 5.60 < 5 4 11 291.38 303.33 21.31 o 6 4 11 331.95 308.26 20.43 o 7 4 11 200.23 160.48 22.49 o 8 4 11 6.76 5.68 12.15 < 9 4 11 32.89 8.17 8.67 < 10 4 11 10.24 21.44 15.74 < 11 4 11 3.89 -11.78 22.74 < 12 4 11 196.59 177.52 47.02 o -18 5 11 60.14 55.12 3.76 o -17 5 11 13.98 11.65 0.86 o -16 5 11 13.60 13.72 0.88 o -15 5 11 15.29 14.98 0.87 o -14 5 11 46.80 56.83 1.63 o -13 5 11 18.64 19.90 1.00 o -12 5 11 36.05 32.82 1.21 o -11 5 11 8.44 11.97 0.83 o -10 5 11 47.07 36.16 1.24 o -9 5 11 144.04 144.38 3.88 o -8 5 11 330.90 326.38 28.14 o -7 5 11 12.50 18.85 6.36 < -6 5 11 39.63 48.86 9.48 o -5 5 11 773.79 756.54 39.68 o -4 5 11 64.67 45.91 6.56 o -3 5 11 633.02 667.26 33.18 o -2 5 11 59.85 63.28 8.73 o -1 5 11 28.49 35.71 7.02 o 0 5 11 65.42 55.14 9.45 o 1 5 11 571.55 587.03 36.65 o 2 5 11 345.62 334.38 31.20 o 3 5 11 270.77 274.90 40.32 o 4 5 11 336.34 263.28 54.13 o 5 5 11 430.24 479.85 79.03 o 6 5 11 42.71 -14.91 29.60 < 7 5 11 0.14 -104.86 51.08 < 8 5 11 464.60 363.07 67.64 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