#------------------------------------------------------------------------------ #$Date: 2022-11-04 04:48:31 +0200 (Fri, 04 Nov 2022) $ #$Revision: 278939 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109075.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_2109075 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_length_a 8.1019(13) _cell_length_b 8.1922(13) _cell_length_c 20.442(3) _exptl_crystal_F_000 322.296 _reflns_d_resolution_high -0.5110 _cod_data_source_file px5048triptyceneNeutrsup4.hkl _cod_data_source_block triptyceneNeutr _shelx_title 'Jana2006 Version : 04/04/2019' _shelx_refln_list_code 4 _shelx_f_calc_maximum 292.51 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 -18 19570.50 28441.00 258.73 o 2 2 -18 11889.30 12291.60 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