#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/46/2014649.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_2014649_Fobs loop_ _publ_author_name 'Gao, Shan' 'Liu, Ji-Wei' 'Huo, Li-Hua' 'Zhao, Hui' 'Zhao, Jing-Gui' _publ_section_title ; Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m25 _journal_page_last m29 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 85.835 _cell_angle_beta 82.015 _cell_angle_gamma 83.538 _cell_length_a 5.3754 _cell_length_b 5.9136 _cell_length_c 11.2365 _exptl_crystal_F_000 178.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file fg1790IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' l in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 69.40 _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 0 352.19 362.57 0.55 o 2 0 0 808.37 1017.35 5.08 o 3 0 0 211.32 209.33 0.88 o 4 0 0 286.58 287.62 2.24 o 5 0 0 2.68 2.48 0.26 o 6 0 0 20.93 22.73 1.07 o -6 1 0 5.98 6.70 0.57 o -5 1 0 0.05 0.07 0.05 o -4 1 0 151.44 156.41 7.07 o -3 1 0 67.72 69.67 1.88 o -2 1 0 144.12 147.82 6.57 o -1 1 0 1.14 1.50 0.07 o 0 1 0 476.50 513.16 0.52 o 1 1 0 60.36 58.83 0.41 o 2 1 0 687.99 739.04 8.28 o 3 1 0 256.69 254.85 3.29 o 4 1 0 16.64 15.52 0.21 o 5 1 0 31.00 30.60 1.14 o 6 1 0 0.45 0.86 0.16 o -6 2 0 19.77 20.70 0.70 o -5 2 0 51.13 53.78 0.76 o -4 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