#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108373.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_2108373 _cell_angle_alpha 90.000 _cell_angle_beta 99.818 _cell_angle_gamma 90.000 _cell_length_a 21.3889 _cell_length_b 5.6735 _cell_length_c 32.0754 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file xk5052l_leu_mal_175sup5.hkl _cod_data_source_block l_leu_mal_175 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 409.70 _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 5.53 -2.52 24.42 o 3 -7 0 18.43 8.48 29.53 o 0 -6 0 321.26 370.66 69.37 o 2 -6 0 261.77 265.42 41.16 o 4 -6 0 112.24 91.16 23.12 o 6 -6 0 135.18 139.71 31.58 o 8 -6 0 118.58 98.61 24.09 o 10 -6 0 83.43 41.82 26.34 o 12 -6 0 21.78 34.12 22.67 o 14 -6 0 9.57 12.41 30.70 o 1 -5 0 1748.25 1834.04 92.37 o 3 -5 0 1717.64 1804.22 91.11 o 5 -5 0 115.27 103.72 20.47 o 7 -5 0 1981.56 2220.28 94.84 o 9 -5 0 711.74 802.48 53.75 o 11 -5 0 806.43 1043.53 54.98 o 13 -5 0 32.94 21.33 22.80 o 15 -5 0 136.30 61.22 27.64 o 17 -5 0 31.72 56.49 33.88 o 0 -4 0 675.94 626.05 67.33 o 2 -4 0 4094.36 4266.49 123.41 o 4 -4 0 1107.94 1213.32 65.73 o 6 -4 0 970.32 1010.88 76.65 o 8 -4 0 158.66 168.19 32.95 o 10 -4 0 209.22 247.06 33.97 o 12 -4 0 795.00 900.49 63.39 o 14 -4 0 253.38 318.70 39.90 o 16 -4 0 179.19 242.25 34.11 o 18 -4 0 172.04 203.14 34.91 o 20 -4 0 147.37 230.83 65.95 o 1 -3 0 2424.68 2427.28 81.27 o 3 -3 0 9872.32 10151.16 206.84 o 5 -3 0 1729.73 1655.25 83.24 o 7 -3 0 4074.25 4234.40 133.36 o 9 -3 0 585.18 690.31 50.78 o 11 -3 0 45.77 76.74 20.46 o 13 -3 0 33.17 27.71 14.13 o 15 -3 0 330.69 369.23 49.89 o 17 -3 0 139.53 170.96 32.20 o 19 -3 0 8.96 -0.89 18.06 o 21 -3 0 123.47 101.35 36.16 o 23 -3 0 0.44 18.78 24.26 o 0 -2 0 8953.20 9003.21 235.61 o 2 -2 0 569.69 662.63 43.76 o 4 -2 0 587.27 506.17 38.23 o 6 -2 0 1140.95 1015.06 62.40 o 8 -2 0 2472.99 2214.25 85.73 o 10 -2 0 10327.46 10524.75 212.49 o 12 -2 0 544.13 525.22 53.43 o 14 -2 0 368.03 412.96 49.74 o 16 -2 0 823.86 901.72 79.56 o 18 -2 0 1082.20 1216.42 100.32 o 20 -2 0 185.24 177.85 76.14 o 22 -2 0 4.50 14.52 33.20 o 24 -2 0 41.96 51.64 28.39 o 1 -1 0 4042.00 3399.47 70.41 o 3 -1 0 7419.65 6789.46 179.32 o 5 -1 0 6401.53 5935.95 110.37 o 7 -1 0 6255.52 5878.88 127.72 o 9 -1 0 5465.46 5393.15 139.09 o 11 -1 0 1129.17 1090.43 70.24 o 13 -1 0 1889.25 2103.53 105.46 o 15 -1 0 301.09 365.52 50.12 o 17 -1 0 539.98 557.93 66.72 o 19 -1 0 885.44 966.53 90.19 o 21 -1 0 1.17 12.14 25.02 o 23 -1 0 1.60 -27.82 27.82 o 25 -1 0 75.67 32.58 40.31 o 2 0 0 2574.08 2224.78 46.50 o 4 0 0 5633.61 5006.35 101.54 o 6 0 0 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