#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218257.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_2218257_Fobs loop_ _publ_author_name 'Aghabozorg, Hossein' 'Firoozi, Najmeh' 'Roshan, Leila' 'Attar Gharamaleki, Jafar' 'Ghadermazi, Mohammad' _publ_section_title ; Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate ; _journal_coeditor_code SU2053 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m743 _journal_page_last m744 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 71.632 _cell_angle_beta 89.195 _cell_angle_gamma 72.892 _cell_length_a 8.0931 _cell_length_b 11.4017 _cell_length_c 12.9771 _exptl_crystal_F_000 558.00 _reflns_d_resolution_high 0.7570 _[local]_cod_data_source_file su2053Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 165.99 _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 1 0 0 288.01 296.70 16.41 o 2 0 0 4713.36 4697.02 73.47 o 3 0 0 157.97 135.08 7.03 o 4 0 0 1949.82 1936.92 55.36 o 5 0 0 177.55 191.71 10.71 o 6 0 0 122.20 115.97 9.55 o 7 0 0 59.82 31.81 16.18 o 8 0 0 56.42 70.77 20.78 o 9 0 0 139.87 102.83 22.77 o 10 0 0 191.15 163.92 39.76 o -9 1 0 64.99 83.25 23.11 o -8 1 0 352.84 339.16 28.06 o -7 1 0 1662.36 1714.41 54.89 o -6 1 0 84.25 93.25 10.58 o -5 1 0 839.33 855.83 25.80 o -4 1 0 2696.87 2724.31 57.22 o -3 1 0 1311.35 1205.12 31.95 o -2 1 0 23074.37 24730.06 378.18 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