#------------------------------------------------------------------------------ #$Date: 2018-01-17 08:23:55 +0200 (Wed, 17 Jan 2018) $ #$Revision: 205305 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/09/2020902.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_2020902 _cell_angle_alpha 111.867 _cell_angle_beta 97.271 _cell_angle_gamma 99.755 _cell_length_a 10.0052 _cell_length_b 12.5940 _cell_length_c 12.9412 _exptl_crystal_F_000 820.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file yf3126b18056sup4.hkl _cod_data_source_block b18056 _shelx_title ' b18056_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 284.95 _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 9584.14 2405.35 1805.17 o 2 0 0 16566.55 16466.89 83.61 o 3 0 0 8641.15 8352.37 33.10 o 4 0 0 673.21 639.32 5.92 o 5 0 0 2715.59 2601.52 23.99 o 6 0 0 187.19 195.98 4.93 o 7 0 0 211.37 198.29 5.26 o 8 0 0 1957.02 1929.12 18.57 o 9 0 0 1077.06 1088.12 16.48 o 10 0 0 1363.78 1377.32 23.31 o 11 0 0 6918.62 7017.05 51.67 o 12 0 0 1349.98 1459.64 37.14 o -12 1 0 1241.98 1329.61 27.22 o -11 1 0 684.34 727.84 21.29 o -10 1 0 1280.59 1266.61 32.11 o -9 1 0 6868.75 6764.35 54.61 o -8 1 0 2260.94 2282.51 24.90 o -7 1 0 5675.48 5529.22 37.64 o -6 1 0 229.92 218.14 5.37 o -5 1 0 11.02 25.25 2.86 o -4 1 0 458.65 437.03 4.85 o -3 1 0 4394.14 4239.64 28.66 o -2 1 0 6996.57 7074.63 35.16 o -1 1 0 497.80 511.61 26.81 o 1 1 0 17571.62 11834.96 3687.85 o 2 1 0 16800.36 16420.48 50.35 o 3 1 0 9526.98 9868.66 39.06 o 4 1 0 21094.80 20718.29 100.47 o 5 1 0 4579.84 4510.45 40.94 o 6 1 0 1935.81 1914.04 18.24 o 7 1 0 215.53 180.07 5.30 o 8 1 0 287.54 289.88 6.24 o 9 1 0 76.75 94.64 5.92 o 10 1 0 1859.80 1876.13 31.58 o 11 1 0 1210.68 1235.51 33.24 o -12 2 0 1224.21 1304.49 33.32 o -11 2 0 3234.89 3153.95 57.00 o -10 2 0 6919.78 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