#------------------------------------------------------------------------------ #$Date: 2020-02-12 08:35:01 +0200 (Wed, 12 Feb 2020) $ #$Revision: 248073 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/73/1557305.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_1557305 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 11.0757 _cell_length_b 11.0757 _cell_length_c 16.4785 _exptl_crystal_F_000 944.00 _reflns_d_resolution_high 0.8073 _cod_data_source_file is4040Isup2.hkl _cod_data_source_block I _shelx_title ' 5P41 in P4(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 222.58 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-y, x, z+1/4' 'y, -x, z+3/4' 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 0 0 -20 92.56 151.11 86.68 o 0 1 -20 1.11 -15.97 28.77 o 1 1 -20 5.56 0.07 36.63 o -1 2 -20 8.02 -7.07 38.05 o 0 2 -20 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