#------------------------------------------------------------------------------ #$Date: 2020-07-22 08:03:52 +0300 (Wed, 22 Jul 2020) $ #$Revision: 254468 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/21/2022190.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_2022190 _cell_angle_alpha 102.985 _cell_angle_beta 101.259 _cell_angle_gamma 100.483 _cell_length_a 10.9076 _cell_length_b 11.1726 _cell_length_c 12.3717 _exptl_crystal_F_000 680.00 _reflns_d_resolution_high 0.8255 _cod_data_source_file uk3197CP2-Prsup3.hkl _cod_data_source_block CP2-Pr _shelx_title ' CP2-Pr in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 207.05 _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 7825.07 7571.21 81.37 o 3 0 0 116.54 107.16 16.63 o 4 0 0 550.04 468.81 26.86 o 5 0 0 92.36 139.36 30.14 o 6 0 0 689.54 770.92 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