#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/74/2017426.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_2017426_Fobs loop_ _publ_author_name 'Grigoriev, Mikhail S.' 'Krot, Nikolai N.' _publ_section_title ; Novel heptavalent actinide compounds: tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate and its plutonium analogue ; _journal_coeditor_code FA3208 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i91 _journal_page_last i93 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 105.007 _cell_angle_beta 101.213 _cell_angle_gamma 105.935 _cell_length_a 5.9632 _cell_length_b 8.1157 _cell_length_c 10.9434 _exptl_crystal_F_000 432.00 _reflns_d_resolution_high 0.6196 _[local]_cod_data_source_file fa3208Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' d4 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 205.68 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 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1238.78 30.10 o -5 1 0 156.39 190.70 11.68 o -5 1 0 153.05 165.50 12.42 o -4 1 0 1967.50 1992.60 21.70 o -4 1 0 1925.43 1910.80 22.09 o -3 1 0 1753.25 1749.80 17.46 o -3 1 0 1791.56 1774.65 17.81 o -3 1 0 7649.13 7428.29 80.85 o -2 1 0 1068.27 1001.57 11.99 o -2 1 0 1045.43 972.22 10.28 o -1 1 0 393.58 416.35 8.05 o -1 1 0 402.18 417.36 7.26 o 0 1 0 12773.35 13480.47 58.23 o 0 1 0 12500.21 13218.07 59.28 o 1 1 0 15379.73 16074.71 50.84 o 2 1 0 8283.12 8241.48 38.94 o 3 1 0 2621.76 2636.67 25.24 o 4 1 0 3854.32 3904.49 44.01 o 5 1 0 4488.33 4470.86 59.06 o 6 1 0 1914.79 1922.87 58.54 o 7 1 0 697.24 752.08 42.65 o 7 1 0 682.33 744.90 73.10 o 8 1 0 730.83 746.26 49.09 o 8 1 0 746.80 808.95 66.63 o -9 2 0 694.23 666.46 69.95 o -9 2 0 679.38 624.38 80.63 o -8 2 0 16.05 -6.43 23.27 o -8 2 0 16.40 18.77 13.96 o -7 2 0 1050.77 1068.77 38.45 o -7 2 0 1028.30 1044.58 40.60 o -6 2 0 2111.95 2103.24 33.38 o -6 2 0 2158.10 2131.59 47.51 o -5 2 0 1473.50 1444.04 20.61 o -5 2 0 1441.99 1418.98 19.21 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