#------------------------------------------------------------------------------ #$Date: 2016-09-30 04:25:12 +0300 (Fri, 30 Sep 2016) $ #$Revision: 186843 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/79/2107979.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_2107979 _cell_angle_alpha 90.000 _cell_angle_beta 101.060 _cell_angle_gamma 90.000 _cell_length_a 11.6463 _cell_length_b 17.9257 _cell_length_c 20.1097 _exptl_crystal_F_000 1520.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file eb5051tdst_et3n_120sup3.hkl _cod_data_source_block tdst_et3n_120 _shelx_title ' TDST_Et3N_temp_120 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 262.05 _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 0 0 -24 1488.56 1808.71 232.31 o 2 0 -24 157.73 59.98 220.77 o 4 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