#------------------------------------------------------------------------------ #$Date: 2020-01-17 07:16:57 +0200 (Fri, 17 Jan 2020) $ #$Revision: 246948 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/19/2021957.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_2021957 _cell_angle_alpha 84.918 _cell_angle_beta 84.475 _cell_angle_gamma 85.649 _cell_length_a 8.1408 _cell_length_b 11.9063 _cell_length_c 12.4678 _exptl_crystal_F_000 924.00 _reflns_d_resolution_high 0.6196 _cod_data_source_file jx3049HGuAusup3.hkl _cod_data_source_block HGuAu _shelx_title ' HGuAu in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 689.51 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 2 0 0 24843.18 26818.67 1975.32 o 3 0 0 21208.88 18870.45 1038.28 o 4 0 0 608.80 647.23 48.82 o 5 0 0 30288.98 28917.53 1036.92 o 6 0 0 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