#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2014648.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_2014648_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 87.868 _cell_angle_beta 84.044 _cell_angle_gamma 68.682 _cell_length_a 9.3142 _cell_length_b 10.3148 _cell_length_c 12.1688 _exptl_crystal_F_000 506.00 _reflns_d_resolution_high 0.7700 _[local]_cod_data_source_file fg1790Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gao47 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 180.92 _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 2 0 0 3749.76 4385.41 40.98 o 3 0 0 2.05 37.44 18.98 o 4 0 0 1151.65 1225.40 36.61 o 5 0 0 661.83 677.44 1.69 o 6 0 0 1116.76 1119.44 8.10 o 7 0 0 3.50 6.51 0.85 o 8 0 0 4.48 4.42 1.05 o 9 0 0 549.81 566.95 2.53 o 10 0 0 107.52 109.93 2.73 o 11 0 0 1.17 -0.13 2.95 o -10 1 0 43.27 51.41 1.61 o -9 1 0 10.54 14.17 1.63 o -8 1 0 747.22 751.56 2.67 o -7 1 0 79.02 79.71 1.47 o -6 1 0 974.63 900.11 2.36 o -5 1 0 70.36 82.17 4.44 o -4 1 0 174.94 155.43 0.88 o -3 1 0 515.40 459.92 2.60 o -2 1 0 269.11 241.97 3.76 o -1 1 0 928.18 1016.04 7.25 o 2 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21.50 2.73 o -1 -3 15 20.87 23.76 1.18 o 0 -3 15 35.33 34.84 1.19 o 1 -3 15 0.02 0.09 1.23 o 2 -3 15 0.81 -0.77 1.17 o -2 -2 15 5.78 4.63 1.16 o -1 -2 15 51.56 46.96 1.66 o 0 -2 15 36.47 38.24 3.01 o 1 -2 15 12.44 10.93 1.49 o 2 -2 15 42.12 39.08 3.26 o 3 -2 15 36.10 33.53 2.29 o -2 -1 15 61.40 61.33 2.78 o -1 -1 15 8.49 10.16 1.34 o 0 -1 15 27.13 24.41 1.33 o 1 -1 15 41.43 41.50 1.90 o 2 -1 15 270.73 253.70 11.67 o 3 -1 15 5.71 7.06 2.09 o 4 -1 15 3.39 2.86 2.09 o -2 0 15 43.05 48.64 1.56 o -1 0 15 38.03 41.35 1.30 o 0 0 15 27.13 26.10 1.85 o 1 0 15 0.98 -0.73 0.73 o 2 0 15 56.66 46.22 3.69 o 3 0 15 0.42 1.67 2.17 o 4 0 15 3.07 3.69 2.16 o -2 1 15 10.89 12.44 1.26 o -1 1 15 10.87 10.97 0.93 o 0 1 15 27.12 29.11 2.03 o 1 1 15 10.37 8.23 0.73 o 2 1 15 4.56 6.00 2.28 o 3 1 15 22.63 23.57 2.38 o 4 1 15 11.68 16.94 2.33 o -1 2 15 0.05 3.04 1.76 o 0 2 15 29.82 28.59 0.94 o 1 2 15 16.12 17.28 0.93 o 2 2 15 86.58 96.86 2.83 o 3 2 15 65.44 67.74 2.62 o 4 2 15 21.15 19.46 2.47 o 0 3 15 0.64 1.55 0.97 o 1 3 15 0.50 -0.95 2.45 o 2 3 15 85.58 84.49 2.83 o 3 3 15 109.39 112.54 5.57 o 4 3 15 102.82 118.51 2.93 o 1 4 15 100.74 93.96 2.97 o 2 4 15 0.06 -2.19 2.40 o 3 4 15 0.12 -2.48 2.48 o 4 4 15 9.89 12.81 1.89 o