#------------------------------------------------------------------------------ #$Date: 2017-01-08 06:00:59 +0200 (Sun, 08 Jan 2017) $ #$Revision: 190043 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/50/1545013.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_1545013 _cell_angle_alpha 119.140 _cell_angle_beta 94.668 _cell_angle_gamma 93.182 _cell_length_a 11.0543 _cell_length_b 12.1612 _cell_length_c 12.3464 _exptl_crystal_F_000 784.00 _reflns_d_resolution_high 0.8546 _cod_data_source_file su4116Isup2.hkl _cod_data_source_block I _shelx_title ' 4IBA2.RES IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 394.93 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 0 711.77 759.86 42.31 o 3 0 0 4409.27 4255.41 175.21 o 4 0 0 30.55 29.98 12.40 o 5 0 0 9180.89 9972.48 700.96 o 6 0 0 11557.67 11263.23 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