#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:19:52 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180850 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018116.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_2018116_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 95.975 _cell_angle_beta 99.503 _cell_angle_gamma 97.271 _cell_length_a 9.0456 _cell_length_b 13.1531 _cell_length_c 13.2128 _exptl_crystal_F_000 896.00 _reflns_d_resolution_high 0.8255 _cod_data_source_file sq3288IVsup5.hkl _cod_data_source_block IV #BEGIN Tags that were not found in dictionaries: _shelx_title ' 91229cm in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 302.20 _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 19655.82 19557.95 1305.80 o 2 0 0 3653.88 3477.48 242.41 o 3 0 0 21097.33 21039.18 1413.58 o 4 0 0 284.62 384.50 52.74 o 6 0 0 1075.95 982.65 100.62 o 7 0 0 451.20 455.36 54.37 o 8 0 0 273.16 315.22 69.94 o 9 0 0 110.97 168.55 63.06 o 10 0 0 11.79 -19.68 47.39 o -10 1 0 89.44 135.11 68.80 o -9 1 0 42.98 53.99 51.79 o -8 1 0 1216.52 1357.68 144.95 o -7 1 0 7947.08 7721.76 560.69 o -6 1 0 1302.46 1217.89 121.06 o -5 1 0 126.02 150.97 41.66 o -4 1 0 13236.58 13625.38 930.28 o -3 1 0 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2663.85 184.55 o 6 9 0 3948.93 4256.70 362.52 o 7 9 0 327.36 318.85 113.13 o -9 10 0 1349.65 1440.70 153.80 o -8 10 0 879.45 1227.45 214.42 o -7 10 0 844.86 1002.81 184.70 o -6 10 0 1661.28 1536.17 215.95 o -5 10 0 218.14 252.64 102.24 o -4 10 0 2157.84 1857.42 230.28 o -3 10 0 75.12 178.01 89.05 o -2 10 0 899.80 809.51 151.83 o -1 10 0 324.54 250.82 99.28 o 0 10 0 339.90 367.98 81.85 o 1 10 0 85.74 77.40 53.08 o 2 10 0 2104.67 1807.92 152.68 o 3 10 0 2116.62 2031.32 159.21 o 4 10 0 1474.72 1588.43 144.98 o 5 10 0 3313.24 3408.42 222.58 o 6 10 0 1415.21 1435.37 212.98 o 7 10 0 30.45 74.91 96.89 o -8 11 0 74.71 137.76 71.32 o -7 11 0 48.01 -25.80 84.08 o -6 11 0 484.82 385.64 125.27 o -5 11 0 2050.86 1820.25 240.41 o -4 11 0 1060.69 1169.93 193.68 o -3 11 0 2656.24 2569.75 291.24 o -2 11 0 1257.92 1234.52 191.77 o 0 11 0 1785.84 1795.46 167.22 o 1 11 0 1303.26 1055.04 126.41 o 2 11 0 2921.49 3130.68 212.65 o 3 11 0 1449.10 1000.61 121.17 o 4 11 0 588.77 601.60 129.04 o 5 11 0 1271.11 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