#------------------------------------------------------------------------------ #$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $ #$Revision: 288434 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022972.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_2022972 _cell_angle_alpha 90.000 _cell_angle_beta 132.187 _cell_angle_gamma 90.000 _cell_length_a 27.3157 _cell_length_b 8.1693 _cell_length_c 18.8362 _exptl_crystal_F_000 1888.00 _reflns_d_resolution_high 0.6924 _cod_data_source_file yz20443bsup9.hkl _cod_data_source_block 3b _shelx_title ' pgj_agnes in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 887.35 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 4 0 0 171928.83 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