#------------------------------------------------------------------------------ #$Date: 2018-11-23 05:58:32 +0200 (Fri, 23 Nov 2018) $ #$Revision: 212140 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/27/2242756.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_2242756 _cell_angle_alpha 90.000 _cell_angle_beta 94.050 _cell_angle_gamma 90.000 _cell_length_a 33.0520 _cell_length_b 5.2580 _cell_length_c 43.0260 _exptl_crystal_F_000 3168.00 _reflns_d_resolution_high 0.8301 _cod_data_source_file tx2009IIIsup4.hkl _cod_data_source_block III _shelx_title ' PB4CBSH C2/C' _shelx_refln_list_code 4 _shelx_f_calc_maximum 804.81 _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' '-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 6 0 0 48041.79 48795.73 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