#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108220.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_2108220 _cod_data_source_file xk5046IVsup5.hkl _cod_data_source_block IV 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 5356.79 5517.91 87.94 o 1 1 0 5435.98 5524.16 110.02 o 0 2 0 1.01 2.72 5.64 < -1 3 0 3.36 5.05 5.88 < 1 2 0 3.36 3.87 5.67 < 0 3 0 4607.77 4466.19 36.34 o -2 4 0 30562.70 29426.60 159.50 o 2 2 0 30372.50 29628.70 327.64 o -1 4 0 6.49 8.52 6.61 < 1 3 0 6.47 10.79 6.85 < 0 4 0 16.76 15.58 8.92 < -2 5 0 0.02 1.89 7.23 < 2 3 0 0.02 1.72 8.01 < -1 5 0 8676.77 8656.30 83.83 o 1 4 0 8645.13 8633.61 77.02 o 0 5 0 14.71 21.30 9.66 < -3 6 0 33948.80 35188.00 147.69 o 3 3 0 34260.90 35021.20 367.90 o -2 6 0 6.53 1.47 8.80 < 2 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54.51 o -1 20 2 2.44 -3.12 39.24 < 1 19 2 2.43 9.11 38.70 < 0 20 2 0.27 -9.40 34.28 < -21 21 2 0.76 -2.05 22.62 < -20 21 2 5.14 5.36 29.30 < -21 20 2 5.13 1.25 25.19 < -19 21 2 105.94 133.27 35.63 o -21 19 2 104.20 93.68 36.79 < -18 21 2 9.89 14.10 32.75 < -21 18 2 9.90 21.11 41.60 < -17 21 2 19.12 14.97 34.94 < -21 17 2 19.10 7.62 43.14 < -16 21 2 267.36 276.28 35.20 o -21 16 2 270.38 280.08 33.76 o -15 21 2 38.66 30.83 25.21 < -21 15 2 38.64 49.34 33.95 < -14 21 2 20.53 34.02 26.82 < -21 14 2 20.49 5.79 34.68 < -13 21 2 194.18 178.22 31.84 o -21 13 2 191.28 179.14 30.15 o -12 21 2 16.73 20.80 28.09 < -21 12 2 16.70 12.21 28.55 < -11 21 2 13.33 1.42 31.45 < -21 11 2 13.32 13.96 29.66 < -10 21 2 47.48 70.03 31.45 < 10 11 2 46.29 56.10 32.39 < -9 21 2 12.26 23.40 28.62 < 9 12 2 12.28 15.98 32.35 < -8 21 2 27.16 29.84 33.78 < 8 13 2 27.20 27.91 31.90 < -7 21 2 147.87 156.50 34.19 o 7 14 2 149.88 164.09 34.89 o -6 21 2 11.81 -0.61 27.01 < 6 15 2 11.79 7.82 31.82 < -5 21 2 8.79 1.16 36.74 < 5 16 2 8.81 18.04 34.04 < -4 21 2 321.72 361.01 52.80 o 4 17 2 318.12 303.84 48.51 o -3 21 2 16.78 9.99 42.64 < 3 18 2 16.79 11.67 37.37 < -2 21 2 2.19 8.50 33.34 < 2 19 2 2.20 27.51 52.25 < -1 21 2 7.68 -12.20 44.96 < 1 20 2 7.65 11.07 27.39 < 0 21 2 5.26 2.43 48.47 < -22 22 2 1.44 -7.67 27.10 < -21 22 2 17.33 12.00 17.82 < -22 21 2 17.76 22.83 21.65 < -20 22 2 2.77 11.07 22.78 < -22 20 2 2.72 5.81 25.26 < -19 22 2 2.92 -0.85 21.61 < -22 19 2 2.91 13.76 29.72 < -18 22 2 664.00 661.25 40.19 o -22 18 2 664.37 685.35 49.21 o -17 22 2 0.96 13.39 29.98 < -22 17 2 0.96 15.53 37.28 < -16 22 2 6.45 12.23 32.93 < -22 16 2 6.48 7.74 40.33 < -15 22 2 1080.77 1085.20 37.39 o -22 15 2 1081.05 1106.08 45.51 o -14 22 2 4.79 18.91 30.22 < -22 14 2 4.81 11.31 35.98 < -13 22 2 5.91 -6.30 29.14 < -22 13 2 5.86 9.47 29.99 < -12 22 2 14.63 42.36 26.87 < -22 12 2 14.90 10.24 29.47 < -11 22 2 21.72 31.26 30.86 < 11 11 2 21.63 19.24 34.92 < -10 22 2 23.14 13.27 29.84 < 10 12 2 23.14 24.62 35.53 < -9 22 2 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-23 13 2 7.84 6.05 30.90 < -12 23 2 3.22 11.21 29.59 < -23 12 2 3.21 7.27 39.34 < -11 23 2 105.31 113.53 30.93 o 11 12 2 103.44 110.23 40.32 < -10 23 2 12.51 6.87 29.06 < 10 13 2 12.48 2.65 38.22 < -9 23 2 6.28 3.78 35.65 < 9 14 2 6.26 -8.78 36.43 < -8 23 2 401.88 402.71 37.27 o 8 15 2 398.30 404.31 38.76 o -7 23 2 4.23 -0.92 30.38 < 7 16 2 4.25 -12.75 32.21 < -6 23 2 8.11 4.20 36.62 < 6 17 2 8.14 -4.01 27.51 < -5 23 2 100.13 83.90 31.90 < 5 18 2 100.68 104.35 25.38 o -4 23 2 0.71 10.06 23.84 < 4 19 2 0.71 5.24 28.02 < -3 23 2 2.41 -0.66 22.33 < 3 20 2 2.41 2.57 35.22 < -2 23 2 68.96 78.94 28.76 < 2 21 2 67.83 63.58 28.36 < -19 24 2 105.96 113.58 21.60 o -24 19 2 107.27 86.89 16.97 o -18 24 2 5.26 3.45 17.50 < -24 18 2 5.23 -4.61 19.43 < -17 24 2 4.04 5.01 21.42 < -24 17 2 4.04 0.50 22.78 < -16 24 2 160.32 163.77 20.80 o -24 16 2 162.31 161.74 26.06 o -15 24 2 10.64 7.62 20.73 < -24 15 2 10.65 11.92 21.29 < -14 24 2 8.63 16.50 26.94 < -24 14 2 8.66 -3.78 28.21 < -13 24 2 559.93 563.31 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5 587.56 571.02 49.13 o 2 12 5 580.67 608.16 86.41 o -1 14 5 23.00 16.06 35.87 < 1 13 5 23.00 13.31 37.77 < 0 14 5 39.92 28.87 41.10 < -15 15 5 45.37 65.83 27.36 < -14 15 5 5.66 2.62 25.66 < -15 14 5 5.69 -0.75 28.17 < -13 15 5 1253.27 1324.80 34.01 o -15 13 5 1251.14 1266.92 33.74 o -12 15 5 6.71 7.60 25.47 < -15 12 5 6.69 5.36 26.13 < -11 15 5 6.28 5.64 26.65 < -15 11 5 6.30 11.99 25.69 < -10 15 5 1569.42 1601.72 56.66 o -15 10 5 1581.13 1641.14 53.54 o -9 15 5 112.79 112.66 41.25 < -15 9 5 113.03 96.87 38.55 < -8 15 5 32.08 26.02 37.23 < -15 8 5 32.16 23.75 32.56 < -7 15 5 973.41 991.49 49.60 o 7 8 5 983.18 974.03 44.87 o -6 15 5 27.41 45.94 44.38 < 6 9 5 27.37 38.62 37.38 < -5 15 5 24.77 4.58 42.71 < 5 10 5 24.83 23.23 40.71 < -4 15 5 2254.62 2346.46 63.03 o 4 11 5 2254.07 2237.32 72.67 o -3 15 5 7.98 8.19 33.27 < 3 12 5 8.00 -10.10 39.71 < -2 15 5 16.21 22.59 37.02 < 2 13 5 16.22 23.66 35.34 < -1 15 5 1745.13 1663.75 57.74 o 1 14 5 1756.45 1758.28 74.31 o 0 15 5 184.11 187.16 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3.56 14.92 < -11 8 18 2.65 0.73 14.68 < -7 11 18 259.12 251.95 22.31 o -11 7 18 258.49 238.60 28.85 o -6 11 18 86.18 79.94 16.72 o -11 6 18 86.02 88.63 18.41 o -5 11 18 33.82 23.63 15.63 < 5 6 18 33.84 24.72 17.73 < -4 11 18 333.65 274.29 62.83 o 4 7 18 334.44 315.84 35.71 o -3 11 18 3.24 11.78 22.64 < 3 8 18 3.23 15.28 20.85 < -2 11 18 2.19 7.46 20.33 < 2 9 18 2.20 -5.07 19.06 < -1 11 18 12.37 7.79 26.14 < 1 10 18 12.62 18.96 25.31 < -8 12 18 11.79 14.55 16.93 < -12 8 18 11.79 19.76 24.53 < -7 12 18 15.32 7.16 14.92 < -12 7 18 15.30 14.95 18.49 < -6 12 18 154.77 134.03 20.68 o 6 6 18 152.91 158.39 29.79 o -5 12 18 61.51 72.45 19.43 o 5 7 18 61.48 63.06 26.66 < -4 12 18 5.89 19.22 24.89 < -1 1 19 24.30 47.50 26.21 < 0 1 19 35.90 33.27 25.97 < -2 2 19 25.07 21.34 25.14 < -1 2 19 16.06 4.75 24.63 < 1 1 19 16.08 16.50 25.43 < 0 2 19 485.88 404.62 34.70 o -3 3 19 0.03 0.57 24.79 < -2 3 19 48.84 41.41 19.71 < -3 2 19 48.19 52.65 35.15 < -1 3 19 92.64 63.44 23.78 < 1 2 19 92.60 76.16 35.10 < 0 3 19 48.01 51.49 33.46 < -4 4 19 187.77 193.65 23.27 o -3 4 19 15.66 17.04 23.14 < -4 3 19 15.67 35.44 24.70 < -2 4 19 15.20 25.19 19.69 < 2 2 19 15.19 27.03 33.55 < -1 4 19 178.19 153.08 32.60 o 1 3 19 180.41 166.44 34.91 o 0 4 19 61.54 45.92 24.34 < -5 5 19 149.26 141.88 20.91 o -4 5 19 19.72 14.03 19.85 < -5 4 19 19.75 20.73 21.01 < -3 5 19 133.26 130.93 32.79 o -5 3 19 132.17 144.79 28.16 o -2 5 19 23.98 26.73 30.22 < 2 3 19 23.91 9.11 32.41 < -1 5 19 7.98 1.44 21.93 < 1 4 19 7.96 12.44 23.28 < 0 5 19 47.84 50.90 21.93 < -6 6 19 41.02 37.58 16.10 < -5 6 19 190.11 176.35 19.74 o -6 5 19 192.65 191.46 21.29 o -4 6 19 62.33 64.92 23.07 < -6 4 19 62.35 55.15 20.73 < -3 6 19 1.23 1.49 29.94 < 3 3 19 1.23 -9.54 29.44 < -2 6 19 161.18 144.98 30.43 o 2 4 19 159.47 153.71 23.52 o -1 6 19 17.70 9.96 20.56 < 1 5 19 17.71 8.47 20.80 < 0 6 19 2.33 -1.61 19.10 < -7 7 19 196.22 183.77 15.16 o -6 7 19 60.19 67.07 17.85 o -7 6 19 60.14 54.84 14.76 o -5 7 19 13.18 18.98 18.09 < -7 5 19 13.16 1.44 15.89 < -4 7 19 155.79 141.43 18.49 o -7 4 19 154.40 134.64 19.99 o -3 7 19 55.05 51.35 21.81 < 3 4 19 55.01 36.12 19.88 < -2 7 19 24.11 23.07 21.09 < 2 5 19 24.06 23.89 20.09 < -1 7 19 70.92 61.45 18.60 o 1 6 19 69.55 54.21 15.42 o 0 7 19 15.17 18.63 16.64 < -8 8 19 0.52 0.07 12.46 < -7 8 19 1.50 1.54 14.02 < -8 7 19 1.51 12.94 13.77 < -6 8 19 43.15 34.00 15.27 < -8 6 19 42.86 44.67 13.20 o -5 8 19 11.26 11.15 18.56 < -8 5 19 11.30 12.07 15.79 < -4 8 19 18.01 21.56 18.86 < 4 4 19 18.02 13.34 24.76 < -3 8 19 223.35 182.24 28.23 o 3 5 19 225.70 214.62 26.04 o -2 8 19 132.58 102.27 25.16 o 2 6 19 132.62 120.18 18.46 o -1 8 19 10.05 12.39 20.02 < 1 7 19 10.07 8.29 19.15 < 0 8 19 13.91 15.32 25.59 < -7 9 19 23.86 17.47 17.21 < -9 7 19 23.88 33.24 17.99 < -6 9 19 3.73 3.38 18.67 < -9 6 19 3.73 -1.73 15.42 < -5 9 19 127.50 119.08 16.46 o -9 5 19 127.68 135.93 21.43 o -4 9 19 88.28 81.82 16.00 o 4 5 19 88.21 72.86 20.66 o -3 9 19 28.62 7.15 25.97 < 3 6 19 28.60 14.99 19.01 < 2 7 19 271.42 226.93 28.56 o -1 1 20 10.88 7.23 16.84 < 0 1 20 11.38 8.45 17.02 < -2 2 20 483.27 476.79 37.10 o -1 2 20 54.26 61.72 30.22 < 1 1 20 54.23 31.24 15.89 < 0 2 20 0.25 11.35 28.92 < -3 3 20 202.30 181.22 33.19 o -2 3 20 22.14 41.17 30.22 < -3 2 20 22.14 12.79 17.09 < -1 3 20 23.87 16.74 31.00 < 1 2 20 23.67 24.30 17.63 < 0 3 20 10.47 13.65 29.99 < -4 4 20 12.45 -5.34 27.27 < -3 4 20 120.32 126.33 31.12 o -4 3 20 122.05 127.38 28.75 o -2 4 20 33.99 29.47 30.03 < 2 2 20 34.00 22.92 16.53 < -1 4 20 4.21 4.41 27.55 < 1 3 20 4.19 2.52 26.92 < 0 4 20 167.06 171.76 30.59 o -4 5 20 39.21 38.88 17.75 < -5 4 20 39.20 24.41 25.26 < -3 5 20 2.74 4.55 18.42 < -2 5 20 53.01 49.72 18.42 < -1 5 20 47.20 29.21 25.81 < 1 4 20 47.25 46.81 25.26 < 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 ? ? ? ? ? ? ? ? ?