#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/80/2018021.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_2018021_Fobs loop_ _publ_author_name 'Stavila, Vitalie' 'Bulimestru, Ion' 'Gulea, Aurelian' 'Colson, Adam C.' 'Whitmire, Kenton H.' _publ_section_title ; Hexaaquacobalt(II) and hexaaquanickel(II) bis(\m-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate ; _journal_coeditor_code SQ3274 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m65 _journal_page_last m68 _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 112.988 _cell_angle_beta 90.671 _cell_angle_gamma 97.437 _cell_length_a 7.2966 _cell_length_b 11.1838 _cell_length_c 12.0039 _exptl_crystal_F_000 609.00 _reflns_d_resolution_high 0.7438 _[local]_cod_data_source_file sq3274Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1corr in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 291.52 _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 16349.21 14618.65 347.39 o 2 0 0 39.47 32.68 3.18 o 3 0 0 16038.09 15688.96 373.47 o 4 0 0 1570.67 1452.02 45.78 o 5 0 0 8737.62 8884.35 213.62 o 6 0 0 474.39 420.71 16.45 o 7 0 0 39.32 33.14 14.58 o 8 0 0 1502.69 1604.42 59.60 o 9 0 0 714.00 680.72 37.59 o -9 1 0 44.59 44.06 22.27 o -8 1 0 60.32 70.93 18.59 o -7 1 0 4102.57 4138.10 128.51 o -6 1 0 2553.05 2407.59 65.42 o -5 1 0 5784.12 5937.98 130.45 o -4 1 0 0.57 9.92 3.70 o -3 1 0 1117.35 1056.22 28.54 o -2 1 0 84985.73 71959.46 2360.13 o -1 1 0 13948.19 12636.56 371.86 o 0 1 0 4720.72 4120.61 98.65 o 1 1 0 5277.71 4760.52 113.57 o 2 1 0 2808.35 2639.19 117.69 o 3 1 0 14151.17 13359.43 497.40 o 4 1 0 966.77 846.76 29.89 o 5 1 0 270.83 267.17 14.76 o 6 1 0 2379.35 2403.81 71.97 o 7 1 0 1995.67 2016.14 62.85 o 8 1 0 1278.24 1326.18 51.37 o 9 1 0 13.37 10.19 18.50 o -9 2 0 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