#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108375.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_2108375 _cell_angle_alpha 90.000 _cell_angle_beta 99.486 _cell_angle_gamma 90.000 _cell_length_a 21.5229 _cell_length_b 5.6692 _cell_length_c 32.0754 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file xk5052l_leu_mal_225sup7.hkl _cod_data_source_block l_leu_mal_225 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 402.84 _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 0.25 6.97 27.24 o 3 -7 0 7.84 7.82 21.32 o 0 -6 0 167.81 198.21 48.22 o 2 -6 0 188.30 202.30 32.98 o 4 -6 0 70.06 53.19 25.83 o 6 -6 0 129.92 174.30 29.13 o 8 -6 0 65.63 41.87 20.94 o 10 -6 0 59.95 40.12 17.06 o 12 -6 0 12.14 -3.30 28.24 o 14 -6 0 2.27 14.12 35.51 o 1 -5 0 1247.73 1354.85 76.49 o 3 -5 0 1331.85 1432.16 78.10 o 5 -5 0 111.10 142.84 26.27 o 7 -5 0 1340.43 1589.51 77.94 o 9 -5 0 580.60 678.50 51.64 o 11 -5 0 690.51 875.06 80.10 o 13 -5 0 35.05 54.90 36.78 o 15 -5 0 49.25 29.71 25.39 o 17 -5 0 30.56 28.90 21.83 o 0 -4 0 437.68 400.78 49.88 o 2 -4 0 3289.31 3726.75 111.54 o 4 -4 0 1077.87 1231.28 63.77 o 6 -4 0 727.64 840.97 66.38 o 8 -4 0 100.45 93.94 26.41 o 10 -4 0 210.27 220.69 30.02 o 12 -4 0 454.95 535.63 45.77 o 14 -4 0 281.73 368.55 40.97 o 16 -4 0 147.66 200.79 32.75 o 18 -4 0 100.03 128.75 27.63 o 20 -4 0 69.74 110.03 41.73 o 1 -3 0 2087.83 2098.49 72.96 o 3 -3 0 8586.64 9024.91 196.53 o 5 -3 0 1666.86 1589.89 77.85 o 7 -3 0 3199.28 3327.75 112.34 o 9 -3 0 650.16 728.31 48.92 o 11 -3 0 22.75 32.85 15.26 o 13 -3 0 39.12 36.74 10.29 o 15 -3 0 284.69 312.21 42.11 o 17 -3 0 80.75 99.17 30.53 o 19 -3 0 19.00 5.13 20.10 o 21 -3 0 64.70 65.15 29.42 o 23 -3 0 4.20 -2.94 41.35 o 0 -2 0 8089.52 7850.78 161.83 o 2 -2 0 560.11 623.70 40.30 o 4 -2 0 467.72 430.07 33.37 o 6 -2 0 900.22 861.78 54.43 o 8 -2 0 2371.06 2179.51 80.76 o 10 -2 0 8816.16 9105.63 250.34 o 12 -2 0 502.29 479.38 46.35 o 14 -2 0 264.26 302.77 39.86 o 16 -2 0 553.31 607.95 62.85 o 18 -2 0 820.06 865.07 79.71 o 20 -2 0 122.25 123.41 36.63 o 22 -2 0 2.19 29.87 30.67 o 24 -2 0 25.05 20.46 23.51 o 1 -1 0 3988.15 3220.78 67.27 o 3 -1 0 6780.29 6065.46 104.24 o 5 -1 0 6471.20 5862.82 145.91 o 7 -1 0 5358.91 4868.14 109.42 o 9 -1 0 5052.55 4893.49 125.84 o 11 -1 0 924.50 878.77 59.54 o 13 -1 0 1754.25 1916.88 96.22 o 15 -1 0 411.39 475.68 52.78 o 17 -1 0 199.16 191.88 33.96 o 19 -1 0 578.94 680.64 70.09 o 21 -1 0 7.42 14.11 24.28 o 23 -1 0 0.17 -15.35 27.72 o 25 -1 0 50.25 70.45 40.28 o 2 0 0 2546.76 2172.60 48.21 o 4 0 0 5263.32 4797.84 120.84 o 6 0 0 28015.29 26125.72 236.32 o 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