#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108372.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_2108372 _cell_angle_alpha 90.000 _cell_angle_beta 99.937 _cell_angle_gamma 90.000 _cell_length_a 21.3300 _cell_length_b 5.6742 _cell_length_c 32.0776 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file xk5052l_leu_mal_150sup4.hkl _cod_data_source_block l_leu_mal_150 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 413.84 _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 6.03 10.21 39.13 o 3 -7 0 25.03 78.59 41.26 o 0 -6 0 467.46 559.88 92.40 o 2 -6 0 334.91 305.31 40.03 o 4 -6 0 147.24 121.35 32.97 o 6 -6 0 162.89 170.50 36.61 o 8 -6 0 161.71 184.38 31.83 o 10 -6 0 101.27 108.07 26.92 o 12 -6 0 25.94 -11.93 44.15 o 14 -6 0 26.18 10.62 43.69 o 1 -5 0 2160.10 2121.29 74.17 o 3 -5 0 1940.96 2084.77 71.79 o 5 -5 0 106.37 109.28 26.18 o 7 -5 0 2573.91 2692.30 76.00 o 9 -5 0 842.88 957.08 45.87 o 11 -5 0 957.70 1134.06 56.03 o 13 -5 0 27.66 37.13 43.68 o 15 -5 0 229.90 246.64 55.26 o 17 -5 0 48.88 4.13 49.64 o 0 -4 0 843.22 796.91 58.50 o 2 -4 0 4624.75 4785.06 94.03 o 4 -4 0 1191.07 1253.57 49.88 o 6 -4 0 1085.17 1142.67 60.02 o 8 -4 0 230.01 224.11 32.61 o 10 -4 0 250.79 249.87 29.61 o 12 -4 0 1137.09 1162.32 56.93 o 14 -4 0 311.31 361.12 36.43 o 16 -4 0 192.92 241.03 34.34 o 18 -4 0 255.30 260.13 37.93 o 20 -4 0 229.82 320.23 64.46 o 1 -3 0 2686.94 2626.42 60.94 o 3 -3 0 10790.55 11316.98 153.91 o 5 -3 0 1846.11 1776.46 62.03 o 7 -3 0 4844.84 4953.41 103.49 o 9 -3 0 582.70 660.43 37.43 o 11 -3 0 60.16 99.97 22.73 o 13 -3 0 39.82 26.65 24.46 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