#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:09:00 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180970 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/50/2205068.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_2205068_Fobs loop_ _publ_author_name 'Gao, Shan' 'Huo, Li-Hua' 'Zhao, Hui' 'Ng, Seik Weng' _publ_section_title ; Bis(2,2'-bipyridine)(3-carboxy-4-hydroxybenzenesulfonato)copper(II) 3-carboxy-4-hydroxybenzenesulfonate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m290 _journal_page_last m292 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 98.824 _cell_angle_beta 102.772 _cell_angle_gamma 97.703 _cell_length_a 8.3432 _cell_length_b 12.3024 _cell_length_c 17.5395 _exptl_crystal_F_000 830.00 _reflns_d_resolution_high 0.7639 _cod_data_source_file hb6137Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 206.23 _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 21302.67 25155.76 38.34 o 3 0 0 3663.43 3986.58 52.13 o 4 0 0 14.01 22.23 16.31 o 5 0 0 237.09 245.75 16.47 o 6 0 0 834.25 916.73 21.79 o 7 0 0 1.04 4.36 18.41 o 8 0 0 85.72 90.31 19.32 o 9 0 0 129.67 134.38 26.98 o 10 0 0 27.27 32.43 23.18 o -10 1 0 180.57 173.82 83.02 o -9 1 0 81.52 69.75 22.53 o -8 1 0 647.72 670.88 23.70 o -7 1 0 620.76 646.82 41.06 o -6 1 0 53.30 87.64 26.89 o -5 1 0 63.15 61.78 14.48 o -4 1 0 1938.50 1962.82 45.15 o -3 1 0 244.82 281.32 16.83 o -2 1 0 29020.02 33626.00 98.12 o 1 1 0 1613.07 1641.74 12.47 o 2 1 0 35439.61 39481.49 50.22 o 3 1 0 2618.16 2521.82 26.32 o 4 1 0 540.59 609.48 45.54 o 5 1 0 657.57 662.14 15.40 o 6 1 0 89.06 106.13 17.44 o 7 1 0 125.97 150.02 18.36 o 8 1 0 22.53 26.64 19.48 o 9 1 0 84.09 78.46 21.50 o 10 1 0 1.35 -8.59 22.93 o -10 2 0 17.75 22.31 46.39 o -9 2 0 30.52 37.66 26.43 o -8 2 0 383.96 377.55 18.44 o -7 2 0 248.73 218.89 42.60 o -6 2 0 921.44 865.30 29.24 o -5 2 0 726.37 654.82 19.46 o -4 2 0 665.27 722.19 12.48 o -3 2 0 50.99 44.65 7.84 o -2 2 0 41030.94 45811.38 62.87 o -1 2 0 50.01 42.67 10.12 o 0 2 0 79.54 99.43 8.19 o 1 2 0 14717.56 15940.78 75.37 o 2 2 0 4003.43 4199.08 205.08 o 3 2 0 3489.65 3682.51 25.03 o 4 2 0 5883.17 6253.03 92.30 o 5 2 0 161.40 199.43 31.57 o 6 2 0 8.92 15.47 16.83 o 7 2 0 367.16 319.21 22.30 o 8 2 0 51.65 46.95 31.95 o 9 2 0 3.29 24.08 24.63 o 10 2 0 26.61 51.35 28.19 o -10 3 0 93.62 139.96 39.95 o -9 3 0 125.32 61.52 48.96 o -8 3 0 12.68 42.87 44.41 o -7 3 0 15.10 -30.53 84.06 o -6 3 0 2.53 0.21 37.09 o -5 3 0 52.70 58.49 31.76 o -4 3 0 3338.09 3419.59 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