#------------------------------------------------------------------------------ #$Date: 2016-08-10 04:02:38 +0300 (Wed, 10 Aug 2016) $ #$Revision: 185712 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241808.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_2241808 _cell_angle_alpha 93.166 _cell_angle_beta 96.548 _cell_angle_gamma 105.883 _cell_length_a 6.2059 _cell_length_b 7.0635 _cell_length_c 7.7516 _exptl_crystal_F_000 268.00 _reflns_d_resolution_high 0.6802 _cod_data_source_file wm5311Isup2.hkl _cod_data_source_block I _shelx_title ' meta1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 118.01 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 0 0 5032.96 5265.18 40.07 o 2 0 0 760.04 784.47 11.30 o 3 0 0 185.95 205.54 6.50 o 4 0 0 71.79 73.27 10.06 o 5 0 0 806.16 780.22 22.23 o 6 0 0 246.50 252.89 16.28 o 7 0 0 11.58 19.22 13.44 o 8 0 0 126.40 103.70 67.46 o -8 1 0 665.28 700.16 50.07 o -7 1 0 1002.07 1063.21 35.87 o -6 1 0 98.56 94.04 10.86 o -5 1 0 7.37 10.95 6.84 o -4 1 0 45.95 54.55 6.46 o -3 1 0 629.22 635.36 10.27 o -2 1 0 5397.06 5420.46 76.58 o 0 1 0 1818.85 1798.71 14.92 o 1 1 0 16.22 24.54 3.75 o 2 1 0 201.70 255.92 7.63 o 3 1 0 209.69 175.66 8.52 o 4 1 0 92.12 93.26 8.83 o 5 1 0 95.97 95.26 13.17 o 6 1 0 677.56 699.52 25.49 o 7 1 0 29.41 25.59 15.47 o 8 1 0 479.50 501.98 31.05 o -9 2 0 276.46 285.39 37.76 o -8 2 0 12.03 37.55 23.41 o -7 2 0 48.88 60.97 15.29 o -6 2 0 446.22 407.04 19.72 o -5 2 0 700.76 659.71 17.82 o -4 2 0 1121.41 1039.17 18.22 o -1 2 0 192.68 219.43 5.29 o 0 2 0 2830.32 3050.99 26.02 o 1 2 0 5774.70 5788.60 51.19 o 2 2 0 66.67 51.12 6.81 o 3 2 0 729.29 712.92 17.04 o 4 2 0 927.65 924.00 29.21 o 5 2 0 117.73 123.05 22.25 o 6 2 0 164.60 153.06 17.88 o 7 2 0 265.38 278.99 66.01 o 8 2 0 245.40 206.24 26.53 o -9 3 0 336.26 367.22 38.20 o -8 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o 0 -4 2 667.96 609.77 30.43 o 1 -4 2 92.95 102.08 6.87 o 2 -4 2 3123.07 3071.76 49.86 o 6 -4 2 52.80 38.92 15.07 o 7 -4 2 14.10 -16.39 16.39 o 8 -4 2 218.09 189.96 26.63 o -7 -3 2 220.83 218.37 28.02 o -6 -3 2 237.46 240.73 21.92 o -5 -3 2 1551.50 1534.21 38.29 o -4 -3 2 840.10 813.47 27.04 o -3 -3 2 1729.93 1637.99 26.74 o -2 -3 2 1162.71 1160.03 21.18 o -1 -3 2 1265.65 1301.56 20.00 o 0 -3 2 248.48 242.09 7.81 o 1 -3 2 334.46 344.75 8.30 o 2 -3 2 1691.26 1684.02 23.76 o 3 -3 2 1048.00 1093.75 30.35 o 4 -3 2 317.04 295.11 12.16 o 5 -3 2 88.17 86.21 8.32 o 6 -3 2 92.20 116.16 13.30 o 7 -3 2 632.52 674.74 72.92 o 8 -3 2 1081.63 1083.02 35.01 o -8 -2 2 10.11 19.64 21.50 o -7 -2 2 289.05 320.28 31.17 o -6 -2 2 3.43 -4.05 17.23 o -5 -2 2 214.29 209.15 17.32 o -4 -2 2 149.70 146.38 11.65 o -3 -2 2 1.67 -2.96 7.83 o -2 -2 2 136.69 124.57 8.26 o -1 -2 2 238.33 307.14 9.41 o 0 -2 2 4787.78 4454.71 59.72 o 1 -2 2 1440.19 1242.98 12.77 o 2 -2 2 455.47 491.36 10.53 o 3 -2 2 452.17 452.68 14.28 o 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52.91 o -6 2 9 0.31 4.87 22.79 o -5 2 9 233.52 191.16 27.57 o -4 2 9 143.23 163.29 26.40 o -3 2 9 526.99 587.51 76.79 o -2 2 9 506.14 551.91 50.80 o -1 2 9 67.19 47.90 25.91 o 0 2 9 13.19 40.31 18.61 o 1 2 9 18.45 -6.17 21.88 o 2 2 9 318.48 279.69 41.13 o 3 2 9 880.03 840.57 62.53 o -6 3 9 136.21 138.04 25.31 o -5 3 9 1117.87 1093.92 46.58 o -4 3 9 745.69 770.68 41.35 o -3 3 9 127.05 73.30 23.79 o -2 3 9 2.18 -11.86 21.57 o -1 3 9 48.76 20.34 32.04 o 0 3 9 0.37 0.90 23.23 o 1 3 9 220.97 232.96 30.32 o 2 3 9 42.96 59.99 36.73 o -5 4 9 111.65 80.60 24.05 o -4 4 9 83.80 82.02 30.22 o -3 4 9 120.11 104.65 25.42 o -2 4 9 196.06 190.79 27.81 o -1 4 9 126.23 161.55 39.66 o 0 4 9 170.26 209.85 42.58 o 1 4 9 433.37 456.62 59.94 o -4 5 9 460.36 459.93 53.87 o -3 5 9 103.07 87.91 25.66 o -2 5 9 22.56 -3.40 42.28 o -1 5 9 79.20 104.77 39.36 o 0 5 9 48.77 34.38 36.73 o -1 -5 10 134.15 121.56 28.47 o 0 -5 10 5.20 -13.65 23.37 o 1 -5 10 209.54 203.25 27.99 o -3 -4 10 29.20 16.53 37.16 o -2 -4 10 197.19 146.93 41.12 o -1 -4 10 19.44 22.08 24.81 o 0 -4 10 133.73 166.83 27.52 o 1 -4 10 755.42 831.50 89.25 o 2 -4 10 167.40 206.19 41.41 o -3 -3 10 106.41 119.55 41.26 o -2 -3 10 68.96 51.80 35.12 o -1 -3 10 213.67 219.35 42.51 o 0 -3 10 192.07 185.87 48.95 o 1 -3 10 188.30 165.02 26.27 o 2 -3 10 70.40 85.36 23.26 o 3 -3 10 19.67 11.72 21.17 o -4 -2 10 95.92 56.34 38.34 o -3 -2 10 18.48 21.45 25.33 o -2 -2 10 24.05 42.87 33.80 o -1 -2 10 120.17 123.61 48.80 o 0 -2 10 51.28 37.03 18.54 o 1 -2 10 656.57 634.19 38.01 o 2 -2 10 890.41 858.62 42.10 o 3 -2 10 490.75 475.29 33.95 o -4 -1 10 198.49 187.46 42.44 o -3 -1 10 72.80 65.88 26.21 o -2 -1 10 192.95 174.97 23.28 o -1 -1 10 19.50 6.65 30.36 o 0 -1 10 343.46 315.93 25.63 o 1 -1 10 3.65 -9.10 21.39 o 2 -1 10 141.06 174.61 59.41 o 3 -1 10 0.92 0.82 21.11 o -5 0 10 1.52 -6.29 33.80 o -4 0 10 110.19 145.74 38.78 o -3 0 10 316.12 314.53 45.81 o -2 0 10 2.35 41.73 24.52 o -1 0 10 554.34 593.99 39.89 o 0 0 10 694.92 722.41 45.17 o 1 0 10 2.43 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208.11 286.68 48.15 o -1 -1 11 0.64 -17.12 30.87 o 0 -1 11 1.45 1.90 32.92 o 1 -1 11 27.88 32.61 24.93 o -3 0 11 241.64 238.40 46.10 o -2 0 11 374.09 316.30 49.18 o -1 0 11 2.95 14.92 34.82 o 0 0 11 63.71 119.98 38.34 o 1 0 11 144.65 181.60 40.83 o -3 1 11 6.84 9.36 35.41 o -2 1 11 28.01 33.95 36.43 o -1 1 11 22.98 87.64 37.46 o 0 1 11 0.34 12.73 34.24 o -2 2 11 380.76 478.33 55.47 o -1 2 11 468.52 442.94 53.43 o