#------------------------------------------------------------------------------ #$Date: 2011-03-09 10:38:09 +0200 (Wed, 09 Mar 2011) $ #$Revision: 14261 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017983.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_2017983_Fobs loop_ _publ_author_name 'Pan, Tong-Hen' 'Huang, Kun-Shan' 'Huang, Chong-En' 'Lai, Fu-Long' 'Huang, Chang-Cang' _publ_section_title ; catena-Poly[[bis(\m-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]-\m-oxalato] ; _journal_coeditor_code LG3047 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m46 _journal_page_last m49 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.980 _cell_angle_beta 87.900 _cell_angle_gamma 70.320 _cell_length_a 7.7597 _cell_length_b 8.4998 _cell_length_c 10.6410 _exptl_crystal_F_000 436.00 _reflns_d_resolution_high 0.8203 _[local]_cod_data_source_file lg3047Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P1 in P1 New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 147.66 _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 21803.72 20040.36 784.48 o 3 0 0 9892.96 9073.09 71.59 o 4 0 0 18.08 34.02 7.92 o 5 0 0 1393.74 1327.14 54.38 o 6 0 0 3868.31 3757.95 72.49 o 7 0 0 15.97 24.48 2.77 o 8 0 0 1089.75 1078.45 50.96 o -8 1 0 2743.75 2919.09 94.45 o -7 1 0 2022.31 2129.06 80.96 o -6 1 0 39.54 41.91 3.02 o -5 1 0 4397.71 4271.43 153.00 o -4 1 0 3844.30 3789.56 71.63 o -3 1 0 510.93 499.75 5.94 o -2 1 0 6535.83 6359.42 43.05 o -1 1 0 3709.35 3755.66 36.64 o 2 1 0 1358.81 1346.98 53.79 o 3 1 0 300.35 284.86 10.53 o 4 1 0 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