#------------------------------------------------------------------------------ #$Date: 2021-01-26 07:38:12 +0200 (Tue, 26 Jan 2021) $ #$Revision: 261215 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108746.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_2108746 _cell_angle_alpha 90.000 _cell_angle_beta 107.517 _cell_angle_gamma 90.000 _cell_length_a 19.2700 _cell_length_b 10.9930 _cell_length_c 23.9170 _exptl_crystal_F_000 3472.00 _reflns_d_resolution_high 0.8408 _cod_data_source_file um50462sup2.hkl _cod_data_source_block 2 _shelx_title ' gamma-beta' _shelx_refln_list_code 4 _shelx_f_calc_maximum 839.57 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 76406.09 78799.11 1318.72 o 3 0 0 8622.84 9901.52 190.35 o 4 0 0 19.76 766.85 62.15 o 5 0 0 28159.79 28999.17 524.45 o 6 0 0 350094.16 341950.94 5701.14 o 7 0 0 28768.70 26628.08 502.24 o 8 0 0 570269.25 528330.06 8800.20 o 9 0 0 28526.90 27126.31 529.79 o 10 0 0 84137.72 88807.29 1559.19 o 11 0 0 48.02 -80.47 89.52 o 12 0 0 20562.10 19909.21 441.46 o 13 0 0 29879.02 30438.47 629.40 o 14 0 0 44599.85 44666.37 882.16 o 15 0 0 1746.23 1505.93 177.22 o 16 0 0 9073.25 9756.77 307.63 o 17 0 0 135.52 220.79 128.51 o 18 0 0 9.31 104.35 130.67 o 19 0 0 2769.23 2790.49 202.00 o 20 0 0 9582.70 10255.42 363.64 o 1 1 0 13489.98 17236.15 300.31 o 2 1 0 3501.54 3042.96 73.21 o 3 1 0 1746.70 1620.72 62.20 o 4 1 0 21856.34 23891.54 432.42 o 5 1 0 9035.93 9042.01 197.88 o 6 1 0 23132.37 22434.20 424.87 o 7 1 0 1933.32 1699.12 89.81 o 8 1 0 53553.27 55483.88 988.86 o 9 1 0 4932.66 4836.80 158.75 o 10 1 0 8568.64 8672.55 232.61 o 11 1 0 66.95 199.26 90.11 o 12 1 0 25507.73 27124.37 564.62 o 13 1 0 1785.37 1841.72 140.06 o 14 1 0 2961.84 3124.47 163.09 o 15 1 0 189.14 172.29 126.61 o 16 1 0 5864.45 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