#------------------------------------------------------------------------------ #$Date: 2021-01-30 08:12:17 +0200 (Sat, 30 Jan 2021) $ #$Revision: 261324 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/37/2243744.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_2243744 _cell_angle_alpha 90.000 _cell_angle_beta 91.464 _cell_angle_gamma 90.000 _cell_length_a 4.9472 _cell_length_b 9.9021 _cell_length_c 7.1002 _exptl_crystal_F_000 192.00 _reflns_d_resolution_high 0.7815 _cod_data_source_file ey2004Isup2.hkl _cod_data_source_block I _shelx_title ' 1,3-disulfone in Pn Mo data' _shelx_refln_list_code 4 _shelx_f_calc_maximum 62.30 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x+1/2, -y, 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 1 -9 100.59 103.12 4.99 o -2 0 -8 43.64 46.83 8.61 o 0 0 -8 291.28 288.48 9.62 o 2 0 -8 142.99 145.87 10.11 o -2 1 -8 69.81 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