#------------------------------------------------------------------------------ #$Date: 2018-01-26 10:11:54 +0200 (Fri, 26 Jan 2018) $ #$Revision: 205703 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/09/2020974.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_2020974 _cell_angle_alpha 90.000 _cell_angle_beta 100.427 _cell_angle_gamma 90.000 _cell_length_a 10.0743 _cell_length_b 14.3830 _cell_length_c 18.6470 _exptl_crystal_F_000 1216.00 _reflns_d_resolution_high 0.8142 _cod_data_source_file eg3230IIsup3.hkl _cod_data_source_block II _shelx_title ' mh44_5 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 393.65 _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' 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 1 -21 203.86 235.61 43.11 o -2 2 -21 341.05 418.84 47.82 o -1 3 -21 301.43 402.45 48.43 o 0 4 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