#------------------------------------------------------------------------------ #$Date: 2023-03-14 05:13:08 +0200 (Tue, 14 Mar 2023) $ #$Revision: 281862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/42/2244227.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_2244227 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 5.1487 _cell_length_b 8.5316 _cell_length_c 20.3710 _exptl_crystal_F_000 512.00 _reflns_d_resolution_high 0.8312 _cod_data_source_file pk2681IIIsup4.hkl _cod_data_source_block III _shelx_title ' 119_b.res in P1 New: P212121' _shelx_refln_list_code 4 _shelx_f_calc_maximum 157.14 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -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 11963.93 11766.25 329.76 o 4 0 0 7395.66 7375.92 349.26 o 6 0 0 879.59 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