#------------------------------------------------------------------------------ #$Date: 2016-11-16 04:09:37 +0200 (Wed, 16 Nov 2016) $ #$Revision: 188496 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/19/2241952.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_2241952 _cell_angle_alpha 99.871 _cell_angle_beta 102.825 _cell_angle_gamma 106.538 _cell_length_a 10.5880 _cell_length_b 14.5620 _cell_length_c 14.9830 _exptl_crystal_F_000 826.00 _reflns_d_resolution_high 0.7828 _cod_data_source_file wm5332compound_2sup5.hkl _cod_data_source_block compound_2 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 170.31 _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 2 0 0 17.05 22.95 22.12 o 3 0 0 17477.82 17157.54 90.38 o 4 0 0 5922.41 5897.14 47.03 o 5 0 0 909.81 819.76 25.01 o 6 0 0 915.59 895.85 19.81 o 7 0 0 978.81 987.86 24.30 o 8 0 0 460.58 456.13 12.03 o 9 0 0 434.70 487.89 29.86 o 10 0 0 559.75 600.96 24.27 o 11 0 0 512.57 570.31 77.66 o 12 0 0 110.36 110.16 24.30 o -12 1 0 355.84 330.34 25.62 o -11 1 0 808.83 815.76 26.91 o -10 1 0 1220.50 1299.15 28.48 o -9 1 0 754.40 764.87 17.16 o -8 1 0 1336.65 1342.66 107.75 o -7 1 0 2471.35 2577.60 159.20 o -6 1 0 2240.28 2150.22 21.00 o -5 1 0 1994.20 1880.98 123.84 o -4 1 0 19904.61 18831.97 91.12 o -3 1 0 7832.83 7607.33 111.81 o -2 1 0 3261.88 2905.58 55.39 o -1 1 0 1112.17 1095.66 47.62 o 1 1 0 345.72 348.87 20.64 o 2 1 0 2074.96 2193.35 35.36 o 3 1 0 1324.74 1368.71 25.53 o 4 1 0 498.88 536.14 22.92 o 5 1 0 2467.57 2227.23 26.97 o 6 1 0 307.42 301.80 19.45 o 7 1 0 1383.75 1342.50 25.50 o 8 1 0 278.38 298.33 21.63 o 9 1 0 456.25 467.33 22.95 o 10 1 0 103.42 79.17 12.69 o 11 1 0 0.07 5.36 13.02 o 12 1 0 1.05 4.91 17.37 o -12 2 0 599.41 557.09 28.66 o -11 2 0 1212.96 1080.39 24.12 o -10 2 0 1613.66 1560.25 30.11 o -9 2 0 1186.83 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242.62 274.09 14.55 o 7 7 0 103.17 130.65 15.21 o 8 7 0 66.65 100.94 15.29 o 9 7 0 8.99 11.31 16.46 o -12 8 0 769.43 743.07 34.72 o -11 8 0 1292.21 1299.02 27.75 o -10 8 0 1510.04 1482.56 54.73 o -9 8 0 1.84 2.52 13.62 o -8 8 0 1194.73 1250.67 58.43 o -7 8 0 4408.38 4327.83 41.35 o -6 8 0 4047.57 4098.93 110.48 o -5 8 0 1676.16 1812.63 56.93 o -4 8 0 1718.99 1868.77 19.42 o -3 8 0 26.33 32.26 9.93 o -2 8 0 1127.59 1108.36 21.89 o -1 8 0 854.95 897.74 13.62 o 0 8 0 1.40 15.28 10.57 o 1 8 0 14.48 15.35 10.56 o 2 8 0 25.49 28.74 12.69 o 3 8 0 71.02 60.31 10.55 o 4 8 0 58.57 64.53 10.97 o 5 8 0 56.82 52.89 11.22 o 6 8 0 47.32 47.70 9.82 o 7 8 0 255.34 275.95 19.83 o 8 8 0 82.40 89.36 11.40 o 9 8 0 124.53 132.33 13.33 o -12 9 0 363.07 302.97 20.14 o -11 9 0 539.08 535.60 22.60 o -10 9 0 569.34 556.63 46.45 o -9 9 0 4.41 3.61 13.45 o -8 9 0 87.31 91.71 20.86 o -7 9 0 0.26 6.88 13.49 o -6 9 0 19.54 20.87 9.52 o -5 9 0 546.17 597.74 14.03 o -4 9 0 1105.52 1103.83 29.18 o -3 9 0 527.20 562.78 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