#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018115.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_2018115_Fobs loop_ _publ_author_name 'Yang, Rui' 'Ma, Jian-Ping' 'Huang, Ru-Qi' 'Dong, Yu-Bin' _publ_section_title ; Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX~2~ (X = Cl, Br and I) ; _journal_coeditor_code SQ3288 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m176 _journal_page_last m180 _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 95.747 _cell_angle_beta 99.101 _cell_angle_gamma 98.902 _cell_length_a 8.8247 _cell_length_b 12.9673 _cell_length_c 13.0197 _exptl_crystal_F_000 824.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file sq3288IIIsup4.hkl _[local]_cod_data_source_block III #BEGIN Tags that were not found in dictionaries: _shelx_title ' 110409bm in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 331.44 _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 6077.13 6310.72 424.00 o 3 0 0 17850.97 21610.64 1431.29 o 4 0 0 188.53 249.01 40.36 o 5 0 0 9833.02 11259.24 761.45 o 6 0 0 5.85 59.09 36.57 o 7 0 0 10.65 61.62 41.37 o 8 0 0 1717.57 1597.55 141.84 o 9 0 0 911.61 1016.78 108.56 o 10 0 0 167.77 128.55 68.20 o -10 1 0 62.21 -21.38 50.11 o -9 1 0 39.06 16.58 42.39 o -8 1 0 625.50 616.95 71.87 o -7 1 0 5500.12 5119.51 324.73 o -6 1 0 525.14 600.25 68.45 o -5 1 0 952.34 1198.60 104.26 o -4 1 0 14668.08 14400.56 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