#------------------------------------------------------------------------------ #$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $ #$Revision: 66590 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/45/2234524.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_2234524_Fobs loop_ _publ_author_name 'Ouyang, Yan' 'Shao, Jia' 'Hao, Lanfang' 'Lu, Jixin' _publ_section_title ; Heptaaqua(3,4,5,6-tetrachlorophthalato-\kO^1^)erbium(III) 2-carboxy-3,4,5,6-tetrachlorobenzoate--3,4,5,6-tetrachlorophthalic acid--water (1/1/1) ; _journal_coeditor_code BT5856 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m662 _journal_page_last m663 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 67.430 _cell_angle_beta 86.597 _cell_angle_gamma 81.626 _cell_length_a 6.8655 _cell_length_b 16.2290 _cell_length_c 19.0187 _exptl_crystal_F_000 1190.00 _reflns_d_resolution_high 0.7682 _[local]_cod_data_source_file bt5856Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' _R60415b' _shelx_refln_list_code 4 _shelx_f_calc_maximum 231.31 _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 97.58 133.39 6.51 o 3 0 0 638.91 568.79 17.51 o 4 0 0 5364.86 5640.74 135.34 o 5 0 0 118.90 153.77 17.77 o 6 0 0 1037.46 1008.29 33.33 o 7 0 0 1310.80 1420.61 118.60 o 8 0 0 1207.85 1334.59 99.26 o -8 1 0 890.51 740.15 89.64 o -7 1 0 5846.23 5999.14 417.18 o -6 1 0 8395.89 8610.68 160.90 o -5 1 0 9015.91 9395.07 212.80 o -4 1 0 7834.38 8082.02 122.02 o -3 1 0 25424.47 25122.15 589.19 o -2 1 0 25.50 62.30 4.88 o -1 1 0 214.80 214.91 10.78 o 3 1 0 288.31 209.38 11.04 o 4 1 0 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