#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108222.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_2108222 _cod_data_source_file xk5046VIsup7.hkl _cod_data_source_block VI 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 5358.52 5471.04 97.11 o 1 1 0 5435.92 5538.60 103.00 o 0 2 0 0.48 1.45 5.73 < -1 3 0 1.29 4.17 5.78 < 1 2 0 1.29 2.42 5.66 < 0 3 0 4718.97 4536.43 37.84 o -2 4 0 30635.00 29648.00 169.69 o 2 2 0 30454.50 29790.80 270.32 o -1 4 0 2.02 6.57 6.66 < 1 3 0 2.01 5.22 6.87 < 0 4 0 9.83 12.77 8.99 < -2 5 0 0.11 -0.79 7.34 < 2 3 0 0.11 -5.68 8.13 < -1 5 0 8669.60 8614.41 78.17 o 1 4 0 8638.10 8570.17 46.64 o 0 5 0 9.02 12.93 9.60 < -3 6 0 34236.30 35617.40 213.68 o 3 3 0 34536.70 35206.30 327.95 o -2 6 0 2.02 3.64 8.93 < 2 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4 293.45 298.49 42.96 o 0 16 4 3.76 5.01 36.98 < -17 17 4 4.51 -2.07 30.08 < -16 17 4 6.86 13.19 29.12 < -17 16 4 6.87 1.37 27.84 < -15 17 4 442.57 446.14 32.92 o -17 15 4 441.30 455.69 30.82 o -14 17 4 7.18 15.85 28.85 < -17 14 4 7.16 12.07 27.54 < -13 17 4 8.40 5.06 27.40 < -17 13 4 8.40 4.27 27.01 < -12 17 4 712.10 691.45 32.08 o -17 12 4 716.59 700.92 32.42 o -11 17 4 21.68 26.31 28.71 < -17 11 4 21.65 30.85 27.47 < -10 17 4 14.31 11.40 30.24 < -17 10 4 14.33 4.78 30.92 < -9 17 4 167.60 187.56 32.32 o -17 9 4 170.17 203.12 31.59 o -8 17 4 1.78 2.84 30.60 < 8 9 4 1.78 -5.13 32.95 < -7 17 4 10.54 14.77 31.81 < 7 10 4 10.56 23.25 33.27 < -6 17 4 387.50 381.21 36.50 o 6 11 4 385.39 369.13 38.28 o -5 17 4 11.68 3.47 35.46 < 5 12 4 11.70 1.35 29.33 < -4 17 4 7.35 11.02 39.29 < 4 13 4 7.38 -3.29 38.19 < -3 17 4 1374.42 1335.02 48.22 o 3 14 4 1383.61 1375.87 57.26 o -2 17 4 5.36 5.45 37.86 < 2 15 4 5.33 15.80 34.70 < -1 17 4 0.27 23.23 35.44 < 1 16 4 0.28 1.84 38.26 < 0 17 4 69.73 75.33 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5 11 5 15.44 8.04 34.67 < -4 16 5 8.18 8.64 34.74 < 4 12 5 8.16 18.45 34.93 < -3 16 5 678.67 673.63 44.37 o 3 13 5 676.02 674.84 44.12 o -2 16 5 32.86 9.72 43.11 < 2 14 5 32.77 40.01 42.41 < -1 16 5 19.00 1.03 44.74 < 1 15 5 18.96 20.57 44.13 < 0 16 5 656.42 629.91 47.88 o -17 17 5 112.53 116.96 26.03 o -16 17 5 32.95 33.30 25.58 < -17 16 5 33.00 34.37 27.22 < -15 17 5 8.05 23.63 25.72 < -17 15 5 8.05 1.52 25.93 < -14 17 5 1338.86 1395.17 34.42 o -17 14 5 1347.64 1354.15 35.40 o -13 17 5 3.21 2.42 24.74 < -17 13 5 3.24 9.57 27.28 < -12 17 5 8.35 9.46 28.33 < -17 12 5 8.30 11.88 28.33 < -11 17 5 374.60 377.44 29.59 o -17 11 5 375.75 391.02 30.33 o -10 17 5 3.43 11.05 29.36 < -17 10 5 3.42 5.26 29.29 < -9 17 5 0.75 8.62 29.06 < -17 9 5 0.76 3.45 30.50 < -8 17 5 173.24 196.10 34.88 o 8 9 5 174.24 193.37 34.08 o -7 17 5 14.16 9.62 32.86 < 7 10 5 14.22 22.04 30.75 < -6 17 5 8.83 1.14 31.90 < 6 11 5 8.81 8.99 35.65 < -5 17 5 1842.14 1874.96 63.62 o 5 12 5 1854.45 1909.19 46.70 o -4 17 5 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5 18 4.34 9.11 35.25 < 0 6 18 196.92 183.87 37.55 o -7 7 18 22.12 30.82 22.63 < -6 7 18 3.44 1.96 23.28 < -7 6 18 3.45 -2.15 23.74 < -5 7 18 449.11 427.21 32.84 o -7 5 18 448.96 388.57 43.58 o -4 7 18 83.50 67.12 27.07 < -7 4 18 83.50 74.30 26.98 < -3 7 18 12.08 8.48 26.70 < 3 4 18 12.09 13.54 26.98 < -2 7 18 293.98 301.92 28.47 o 2 5 18 293.17 273.95 28.42 o -1 7 18 16.75 23.16 29.92 < 1 6 18 16.76 13.12 25.00 < 0 7 18 12.74 1.96 27.49 < -8 8 18 24.52 27.43 18.38 < -7 8 18 126.64 136.02 19.55 o -8 7 18 128.53 123.94 19.94 o -6 8 18 2.12 4.33 19.20 < -8 6 18 2.14 11.44 20.65 < -5 8 18 0.38 -8.65 24.82 < -8 5 18 0.38 -0.70 20.37 < -4 8 18 146.11 142.53 25.61 o 4 4 18 144.15 127.21 26.00 o -3 8 18 14.75 15.50 23.95 < 3 5 18 14.75 17.68 23.98 < -2 8 18 2.75 1.12 28.26 < 2 6 18 2.76 3.64 28.48 < -1 8 18 139.70 138.84 23.86 o 1 7 18 141.29 126.11 23.18 o 0 8 18 65.63 59.60 19.74 o -9 9 18 592.86 551.55 45.20 o -8 9 18 44.63 34.09 15.96 < -9 8 18 44.63 43.01 16.66 < -7 9 18 5.79 8.58 16.89 < -9 7 18 5.78 10.30 17.15 < -6 9 18 129.88 131.94 21.04 o -9 6 18 128.69 111.61 19.46 o -5 9 18 5.72 13.61 19.99 < -9 5 18 5.73 5.34 16.64 < -4 9 18 3.71 3.61 19.27 < 4 5 18 3.71 1.31 21.14 < -3 9 18 40.78 41.27 22.37 < 3 6 18 40.65 38.87 25.79 < -2 9 18 9.63 11.58 20.97 < 2 7 18 9.62 7.57 23.30 < -1 9 18 19.14 5.45 17.96 < 1 8 18 19.12 10.63 21.69 < 0 9 18 747.71 643.08 63.72 o -10 10 18 40.89 27.70 14.63 < -9 10 18 7.70 2.38 14.75 < -10 9 18 7.70 5.10 13.33 < -8 10 18 19.08 26.58 16.08 < -10 8 18 18.63 17.76 14.12 < -7 10 18 19.28 15.26 16.91 < -10 7 18 19.26 24.07 14.86 < -6 10 18 14.31 15.89 17.13 < -10 6 18 14.34 -0.93 15.14 < -5 10 18 109.23 91.31 17.50 o 5 5 18 111.07 101.00 23.56 o -4 10 18 20.54 10.60 19.34 < 4 6 18 20.54 14.08 22.02 < -3 10 18 3.07 14.87 17.75 < 3 7 18 3.07 1.30 19.71 < -2 10 18 52.96 50.30 16.70 o 2 8 18 51.82 43.81 18.97 < -1 10 18 52.18 36.07 18.18 < 1 9 18 52.20 31.04 17.92 < 0 10 18 7.89 11.54 19.73 < -10 11 18 47.41 58.51 26.33 < -11 10 18 48.39 59.01 26.30 < -9 11 18 3.87 -1.70 13.89 < -11 9 18 3.88 2.19 12.95 < -8 11 18 1.50 -1.10 15.15 < -11 8 18 1.49 -5.13 14.56 < -7 11 18 277.21 278.82 22.25 o -11 7 18 276.55 218.75 24.25 o -6 11 18 42.23 35.83 16.17 < -11 6 18 42.17 37.53 18.01 < -5 11 18 18.57 18.17 15.63 < 5 6 18 18.57 15.22 17.94 < -4 11 18 342.26 290.36 60.59 o 4 7 18 342.92 335.70 26.53 o -3 11 18 1.39 1.03 22.84 < 3 8 18 1.38 2.65 21.81 < -2 11 18 0.91 -0.84 19.99 < 2 9 18 0.91 -5.26 19.50 < -1 11 18 16.73 29.10 26.61 < 1 10 18 17.05 21.92 26.05 < -8 12 18 5.00 3.70 17.66 < -12 8 18 5.00 -1.07 25.05 < -7 12 18 9.14 5.69 15.21 < -12 7 18 9.13 7.04 18.99 < -6 12 18 176.01 184.27 21.43 o 6 6 18 174.01 179.26 30.34 o -5 12 18 33.19 15.61 18.32 < 5 7 18 33.18 39.05 26.84 < -4 12 18 3.16 4.99 25.40 < -1 1 19 26.97 23.42 26.09 < 0 1 19 17.39 10.07 26.40 < -2 2 19 13.77 13.68 25.42 < -1 2 19 7.70 3.26 25.03 < 1 1 19 7.71 18.59 25.75 < 0 2 19 519.43 443.58 54.25 o -3 3 19 0.01 1.16 25.30 < -2 3 19 47.86 37.70 19.92 < -3 2 19 47.12 33.30 35.26 < -1 3 19 47.70 25.74 23.84 < 1 2 19 47.69 18.13 35.23 < 0 3 19 27.55 24.39 34.60 < -4 4 19 209.02 212.52 23.77 o -3 4 19 8.92 -1.03 23.42 < -4 3 19 8.93 22.51 24.93 < -2 4 19 7.60 15.64 20.11 < 2 2 19 7.59 -4.15 34.37 < -1 4 19 199.90 156.33 25.09 o 1 3 19 202.23 180.26 36.11 o 0 4 19 30.41 21.07 24.44 < -5 5 19 74.17 72.86 20.30 o -4 5 19 10.97 0.14 19.97 < -5 4 19 10.98 7.66 21.48 < -3 5 19 131.01 109.71 32.43 o -5 3 19 129.79 118.46 28.35 o -2 5 19 10.16 13.31 30.90 < 2 3 19 10.12 14.30 32.65 < -1 5 19 4.05 10.07 21.95 < 1 4 19 4.03 -4.19 23.53 < 0 5 19 46.90 51.17 22.25 < -6 6 19 25.62 21.51 16.20 < -5 6 19 233.02 208.27 24.12 o -6 5 19 235.83 230.30 21.90 o -4 6 19 30.03 32.13 22.48 < -6 4 19 30.05 16.50 20.41 < -3 6 19 1.05 7.81 30.04 < 3 3 19 1.05 12.30 30.25 < -2 6 19 167.46 159.79 31.83 o 2 4 19 165.76 154.15 27.77 o -1 6 19 9.30 3.66 20.51 < 1 5 19 9.30 9.32 21.30 < 0 6 19 2.56 -3.38 19.66 < -7 7 19 201.73 178.01 20.78 o -6 7 19 30.75 28.73 17.61 < -7 6 19 30.70 27.84 14.80 < -5 7 19 8.11 8.81 17.92 < -7 5 19 8.10 5.26 15.98 < -4 7 19 167.04 155.04 18.76 o -7 4 19 165.55 154.94 19.67 o -3 7 19 27.59 23.60 21.43 < 3 4 19 27.58 15.70 20.30 < -2 7 19 13.47 11.19 20.81 < 2 5 19 13.45 26.89 19.85 < -1 7 19 85.53 75.27 19.46 o 1 6 19 83.98 60.65 15.77 o 0 7 19 7.89 9.60 16.91 < -8 8 19 0.31 -0.54 12.67 < -7 8 19 0.68 4.55 14.10 < -8 7 19 0.68 4.59 13.89 < -6 8 19 41.77 49.75 15.63 o -8 6 19 41.40 41.69 13.47 o -5 8 19 6.09 2.22 18.57 < -8 5 19 6.11 11.07 15.89 < -4 8 19 10.34 11.75 19.20 < 4 4 19 10.35 10.34 24.25 < -3 8 19 265.09 244.43 20.83 o 3 5 19 267.63 276.31 38.74 o -2 8 19 67.82 48.77 20.22 < 2 6 19 67.84 38.16 17.59 < -1 8 19 5.63 8.83 20.18 < 1 7 19 5.64 8.43 15.17 < 0 8 19 11.02 13.94 25.12 < -7 9 19 11.45 9.50 17.71 < -9 7 19 11.46 1.03 17.83 < -6 9 19 2.55 1.42 18.64 < -9 6 19 2.55 13.72 15.94 < -5 9 19 129.90 133.38 17.01 o -9 5 19 130.04 130.45 22.02 o -4 9 19 46.52 27.47 15.35 < 4 5 19 46.48 51.54 21.11 < -3 9 19 18.07 2.17 25.86 < 3 6 19 18.05 11.88 19.43 < 2 7 19 291.52 282.90 30.87 o -1 1 20 8.53 6.41 16.62 < 0 1 20 8.37 5.64 17.13 < -2 2 20 550.01 545.19 38.64 o -1 2 20 26.37 19.83 29.59 < 1 1 20 26.35 12.86 16.24 < 0 2 20 0.40 19.73 30.73 < -3 3 20 105.62 67.96 32.39 < -2 3 20 13.56 10.23 29.55 < -3 2 20 13.57 2.28 17.66 < -1 3 20 20.10 9.23 30.10 < 1 2 20 19.78 22.21 17.12 < 0 3 20 4.62 11.79 29.13 < -4 4 20 7.69 5.69 28.15 < -3 4 20 150.09 138.05 32.59 o -4 3 20 152.04 161.49 30.64 o -2 4 20 18.92 38.80 30.11 < 2 2 20 18.93 14.31 16.57 < -1 4 20 2.82 -7.55 29.17 < 1 3 20 2.81 10.16 27.22 < 0 4 20 187.76 180.59 30.71 o -4 5 20 21.32 16.52 18.53 < -5 4 20 21.32 9.71 25.37 < -3 5 20 2.60 5.64 18.20 < -2 5 20 53.45 49.26 18.99 < -1 5 20 23.13 25.38 26.09 < 1 4 20 23.15 27.21 26.00 < 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 ? ? ? ? ? ? ? ? ?