#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:16:39 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180842 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/73/2017329.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_2017329_Fobs loop_ _publ_author_name 'He, Ming-Yang' 'Zhang, Zhi-Hui' 'Lu, Lu-De' 'Yang, Xu-Jie' 'Wang, Xin' _publ_section_title ; Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate ; _journal_coeditor_code FG3128 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o525 _journal_page_last o528 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 62.508 _cell_angle_beta 86.763 _cell_angle_gamma 73.842 _cell_length_a 6.3063 _cell_length_b 9.3249 _cell_length_c 10.0403 _exptl_crystal_F_000 252.00 _reflns_d_resolution_high 0.8414 _cod_data_source_file fg3128Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' WZh0902_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 131.12 _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 1298.77 1325.95 38.58 o 3 0 0 73.42 80.19 2.54 o 4 0 0 1318.88 1430.20 53.55 o 5 0 0 137.28 127.16 5.48 o 6 0 0 0.76 1.26 0.58 o 7 0 0 70.81 59.40 5.04 o -6 1 0 0.09 0.65 0.97 o -5 1 0 40.34 33.11 1.98 o -4 1 0 135.25 60.88 4.49 o -3 1 0 128.32 113.05 4.07 o -2 1 0 52.24 53.44 2.12 o -1 1 0 292.74 277.69 8.13 o 0 1 0 69.50 81.86 4.16 o 1 1 0 50.53 37.02 1.60 o 2 1 0 154.16 158.81 6.23 o 3 1 0 167.74 211.39 8.34 o 4 1 0 13.25 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