#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108370.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_2108370 _cell_angle_alpha 90.000 _cell_angle_beta 100.170 _cell_angle_gamma 90.000 _cell_length_a 21.2256 _cell_length_b 5.6765 _cell_length_c 32.0621 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file xk5052l_leu_mal_100sup2.hkl _cod_data_source_block l_leu_mal_100 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 419.42 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -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 -7 0 13.63 -3.47 55.99 o 3 -7 0 54.47 115.53 56.55 o 0 -6 0 869.89 883.72 77.28 o 2 -6 0 459.69 373.03 47.35 o 4 -6 0 240.92 217.92 44.42 o 6 -6 0 180.03 159.64 42.65 o 8 -6 0 283.24 352.63 43.41 o 10 -6 0 159.15 129.09 34.46 o 12 -6 0 48.27 35.57 62.47 o 1 -5 0 2822.05 2706.54 138.58 o 3 -5 0 2324.84 2454.32 62.39 o 5 -5 0 122.64 105.76 33.23 o 7 -5 0 3453.08 3628.90 77.26 o 9 -5 0 993.44 1101.38 42.78 o 11 -5 0 1054.99 1154.78 77.43 o 13 -5 0 25.73 17.87 56.48 o 15 -5 0 465.48 424.24 69.75 o 17 -5 0 75.97 50.15 70.59 o 0 -4 0 1083.80 1080.12 58.27 o 2 -4 0 5339.56 5582.27 76.71 o 4 -4 0 1269.49 1376.52 43.04 o 6 -4 0 1255.16 1383.90 54.23 o 8 -4 0 387.38 387.38 38.74 o 10 -4 0 276.33 303.72 33.13 o 12 -4 0 1696.14 1686.00 87.25 o 14 -4 0 228.18 285.25 35.91 o 16 -4 0 202.91 225.21 46.25 o 18 -4 0 387.92 459.14 47.88 o 20 -4 0 392.14 504.70 117.01 o 1 -3 0 3050.14 3074.39 50.33 o 3 -3 0 12074.06 12603.72 166.78 o 5 -3 0 1852.79 1727.70 49.29 o 7 -3 0 5896.65 5933.39 83.45 o 9 -3 0 559.50 609.52 32.53 o 11 -3 0 109.53 134.24 27.80 o 13 -3 0 41.02 40.53 29.51 o 15 -3 0 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