#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018114.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_2018114_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 95.232 _cell_angle_beta 97.758 _cell_angle_gamma 99.318 _cell_length_a 8.8422 _cell_length_b 12.9267 _cell_length_c 13.0662 _exptl_crystal_F_000 752.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file sq3288IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' 91223bm in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 319.37 _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 1 0 0 15739.04 15824.08 801.65 o 2 0 0 8428.66 9034.39 461.65 o 3 0 0 12381.39 13517.52 690.48 o 4 0 0 1272.48 1145.06 73.09 o 5 0 0 396.34 443.59 42.43 o 6 0 0 30.35 42.51 22.06 o 7 0 0 99.45 105.98 31.09 o 8 0 0 33.22 54.44 30.41 o 9 0 0 271.62 250.72 48.56 o 10 0 0 82.25 21.04 37.83 o -10 1 0 29.05 22.32 37.91 o -9 1 0 68.76 32.97 34.33 o -7 1 0 1692.04 1637.89 109.05 o -6 1 0 1344.05 1367.41 92.69 o -5 1 0 5696.79 6467.57 342.90 o -4 1 0 11943.40 12446.23 638.68 o -3 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