#------------------------------------------------------------------------------ #$Date: 2023-03-16 05:03:16 +0200 (Thu, 16 Mar 2023) $ #$Revision: 281906 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109099.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_2109099 _cell_angle_alpha 90.000 _cell_angle_beta 90.361 _cell_angle_gamma 90.000 _cell_length_a 13.3428 _cell_length_b 18.9320 _cell_length_c 8.9404 _exptl_crystal_F_000 2349.48 _reflns_d_resolution_high 0.7699 _cod_data_source_file je5049Isup2.hkl _cod_data_source_block I _shelx_title ' shelxt_a.res in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1024.02 _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' '-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 2 0 0 129.80 240.09 21.11 o 4 0 0 257139.59 297410.56 1469.59 o 6 0 0 130.16 72.63 24.46 o 8 0 0 1048625.00 1013085.25 2774.56 o 10 0 0 1193.21 1085.43 83.45 o 12 0 0 86305.38 91572.27 733.93 o 14 0 0 229.01 130.13 62.15 o 16 0 0 111668.01 115986.23 1672.38 o 1 1 0 20904.52 15985.82 255.66 o 3 1 0 16777.76 14642.98 146.82 o 5 1 0 8725.56 5877.73 99.37 o 7 1 0 11881.90 10575.55 91.22 o 9 1 0 15081.62 13558.18 299.24 o 11 1 0 1127.08 902.41 51.43 o 13 1 0 3916.65 3582.76 114.69 o 15 1 0 3319.94 3403.41 124.36 o 17 1 0 1561.46 1899.92 110.80 o 2 2 0 43.40 340.05 22.50 o 4 2 0 6008.92 9411.16 109.04 o 6 2 0 17.60 87.48 12.36 o 8 2 0 23565.22 19871.44 531.78 o 10 2 0 16.65 169.15 62.24 o 12 2 0 1150.37 1415.76 85.55 o 14 2 0 88.41 65.63 45.88 o 16 2 0 737.64 1009.43 146.51 o 1 3 0 16.08 197.66 15.10 o 3 3 0 1185.07 1324.39 48.01 o 5 3 0 5663.12 6738.28 148.81 o 7 3 0 2377.16 2170.36 56.27 o 9 3 0 1853.82 1886.28 56.05 o 11 3 0 1818.66 1636.87 84.10 o 13 3 0 4137.71 4253.22 141.90 o 15 3 0 1096.79 1160.40 81.65 o 17 3 0 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