#------------------------------------------------------------------------------ #$Date: 2022-01-07 01:09:52 +0200 (Fri, 07 Jan 2022) $ #$Revision: 271907 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243988.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_2243988 _cell_angle_alpha 73.748 _cell_angle_beta 80.918 _cell_angle_gamma 80.842 _cell_length_a 10.5033 _cell_length_b 12.0980 _cell_length_c 13.8640 _exptl_crystal_F_000 1210.00 _reflns_d_resolution_high 0.7600 _cod_data_source_file wm5616Isup2.hkl _cod_data_source_block I _shelx_title ' Dk1004_auto in P-1 No2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 427.22 _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 0 824.00 1046.46 24.57 o 3 0 0 88612.18 96903.91 1556.28 o 4 0 0 85985.12 91190.87 537.63 o 5 0 0 13703.69 14411.40 95.89 o 6 0 0 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