#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108371.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_2108371 _cell_angle_alpha 90.000 _cell_angle_beta 100.076 _cell_angle_gamma 90.000 _cell_length_a 21.2633 _cell_length_b 5.6732 _cell_length_c 32.0530 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8001 _cod_data_source_file xk5052l_leu_mal_125sup3.hkl _cod_data_source_block l_leu_mal_125 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 417.49 _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 12.29 -30.36 58.41 o 3 -7 0 41.15 123.44 60.65 o 0 -6 0 687.01 840.80 88.65 o 2 -6 0 417.53 361.70 49.42 o 4 -6 0 185.98 95.07 45.72 o 6 -6 0 181.55 183.60 46.14 o 8 -6 0 232.16 236.60 44.21 o 10 -6 0 130.08 82.36 49.60 o 12 -6 0 41.64 -10.41 70.07 o 1 -5 0 2553.08 2529.17 64.61 o 3 -5 0 2219.09 2371.36 62.63 o 5 -5 0 133.05 179.08 36.77 o 7 -5 0 3061.43 3258.74 66.40 o 9 -5 0 956.41 990.66 43.29 o 11 -5 0 996.22 1090.29 69.05 o 13 -5 0 33.58 -40.74 63.90 o 15 -5 0 322.76 232.55 72.99 o 17 -5 0 67.46 0.03 79.34 o 0 -4 0 984.87 982.31 58.01 o 2 -4 0 5082.98 5308.01 100.62 o 4 -4 0 1245.80 1313.31 43.10 o 6 -4 0 1201.98 1296.33 54.83 o 8 -4 0 282.70 284.30 39.67 o 10 -4 0 283.50 238.94 48.13 o 12 -4 0 1404.97 1422.87 92.63 o 14 -4 0 279.34 309.37 39.87 o 16 -4 0 210.91 282.77 43.90 o 18 -4 0 325.69 488.22 69.90 o 20 -4 0 321.84 424.62 124.04 o 1 -3 0 2889.16 2925.76 50.37 o 3 -3 0 11592.66 12100.19 221.09 o 5 -3 0 1861.34 1693.92 49.70 o 7 -3 0 5405.47 5238.74 128.11 o 9 -3 0 547.19 535.14 33.53 o 11 -3 0 87.64 126.17 30.19 o 13 -3 0 36.34 20.25 33.16 o 15 -3 0 424.08 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