#------------------------------------------------------------------------------ #$Date: 2010-10-08 09:13:40 +0300 (Fri, 08 Oct 2010) $ #$Revision: 1452 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2226574.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_2226574_Fobs loop_ _publ_author_name 'Stanley, Julie M.' 'Holliday, Bradley J.' _publ_section_title ; Potassium bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato)europate(III) ; _journal_coeditor_code LH5047 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m799 _journal_page_last m800 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 68.457 _cell_angle_beta 71.791 _cell_angle_gamma 71.726 _cell_length_a 11.7374 _cell_length_b 12.4680 _cell_length_c 13.7881 _exptl_crystal_F_000 1004.00 _reflns_d_resolution_high 0.8408 _[local]_cod_data_source_file lh5047Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' jmw-149, try twin-solve' _shelx_refln_list_code 4 _shelx_f_calc_maximum 205.04 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_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 0 0 -3 952.34 2020.80 56.60 o 0 0 3 952.34 2224.65 67.46 o 0 0 4 946.62 828.68 58.82 o 0 0 4 946.62 817.09 48.31 o 0 0 4 204.56 140.75 45.77 o 0 0 -4 224.77 -12.12 39.94 o 0 0 -4 204.56 144.22 43.28 o 0 0 -4 946.62 910.78 45.73 o 0 0 -5 26.59 130.50 29.10 o 0 0 5 24.20 159.20 48.53 o 0 0 -5 24.20 126.86 42.89 o 0 0 5 24.20 73.29 23.04 o 0 0 -5 24.20 92.65 35.40 o 0 0 -5 26.59 75.23 31.61 o 0 0 -5 24.20 166.27 40.24 o 0 0 5 24.20 126.52 40.00 o 0 0 5 26.59 87.11 32.65 o 0 0 5 24.20 92.27 41.92 o 0 0 5 26.59 51.99 54.32 o 0 0 5 26.59 178.87 29.67 o 0 0 6 5832.21 6520.92 50.35 o 0 0 6 6408.64 6967.00 60.87 o 0 0 -6 5832.21 6744.63 44.86 o 0 0 -6 5832.21 6613.73 52.67 o 0 0 7 2436.26 2429.70 37.93 o 0 0 -7 2436.26 3344.67 43.09 o 0 0 -7 2436.26 1991.84 35.90 o 0 0 7 2677.05 2162.18 49.38 o 0 0 -7 2436.26 2659.24 49.03 o 0 0 7 2436.26 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