#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:58:25 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199065 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/07/2020764.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_2020764 _cell_angle_alpha 90.000 _cell_angle_beta 105.625 _cell_angle_gamma 90.000 _cell_length_a 19.9508 _cell_length_b 11.7885 _cell_length_c 20.8912 _exptl_crystal_F_000 2416.00 _reflns_d_resolution_high 0.7067 _cod_data_source_file yf3121Isup2.hkl _cod_data_source_block I _shelx_title ' n17_04.res in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1189.03 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 4 0 0 104201.96 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57.10 117.84 104.75 o -14 2 28 66.69 27.23 94.78 o -12 2 28 152.17 173.33 124.39 o -10 2 28 166.48 125.92 70.40 o -8 2 28 404.40 435.57 97.69 o -6 2 28 1.19 47.32 53.49 o -4 2 28 42.55 -33.02 55.11 o -2 2 28 465.32 583.32 159.09 o 0 2 28 40.51 117.84 117.84 o -13 3 28 1002.78 1623.58 353.52 o -11 3 28 1528.14 1835.57 497.55 o -9 3 28 928.68 1006.98 208.16 o -7 3 28 2062.58 2575.34 228.73 o -5 3 28 9.89 40.91 58.59 o -3 3 28 1196.00 1476.16 195.23 o -1 3 28 25.77 144.03 130.93 o -10 4 28 95.52 117.84 170.21 o -8 4 28 172.99 339.78 104.75 o -6 4 28 2744.43 3385.96 317.85 o -4 4 28 165.76 195.90 73.72 o -2 4 28 1307.64 1435.83 229.49 o -9 5 28 4.78 117.84 104.75 o -7 5 28 690.14 1296.25 288.05 o -5 5 28 994.69 1414.09 274.96 o -11 1 29 99.57 127.28 74.93 o -9 1 29 984.10 1150.03 157.01 o -7 1 29 1491.14 1640.26 386.25 o -5 1 29 1279.16 1139.12 261.87 o -3 1 29 688.69 824.88 170.21 o -10 2 29 149.34 130.93 222.59 o -8 2 29 147.84 157.12 94.27 o -6 2 29 31.04 -68.98 68.98 o -4 2 29 359.54 471.36 170.21 o -7 3 29 2366.57 3260.25 510.64 o