#------------------------------------------------------------------------------ #$Date: 2016-10-05 04:39:13 +0300 (Wed, 05 Oct 2016) $ #$Revision: 186913 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/05/2020595.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_2020595 _cell_angle_alpha 90.000 _cell_angle_beta 95.501 _cell_angle_gamma 90.000 _cell_length_a 16.6906 _cell_length_b 9.1942 _cell_length_c 21.0159 _exptl_crystal_F_000 1928.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file sj5509Isup2.hkl _cod_data_source_block I _shelx_title ' 3n4hgcls in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 712.58 _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 2 0 0 192242.95 147359.36 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