#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/79/2217982.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_2217982_Fobs loop_ _publ_author_name 'Soleimannejad, Janet' 'Aghabozorg, Hossein' 'Hooshmand, Shabnam' _publ_section_title ; 4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)chromium(III) tetrahydrate ; _journal_coeditor_code OM2216 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m564 _journal_page_last m565 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 84.710 _cell_angle_beta 89.780 _cell_angle_gamma 87.250 _cell_length_a 9.37850 _cell_length_b 9.4106 _cell_length_c 14.5420 _exptl_crystal_F_000 630.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file om2216Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sh016c P-1 R = 0.04 ' _shelx_refln_list_code 4 _shelx_F_calc_maximum 241.60 _shelx_F_squared_multiplier 0.010 #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 _refln_sint/lambda 1 0 0 624.27 624.27 249.85 o 0.05337 2 0 0 847841.81 847841.81 9207.83 o 0.10675 3 0 0 51559.96 51559.96 2270.68 o 0.16012 4 0 0 47380.98 47380.98 2176.72 o 0.21350 5 0 0 25744.41 25744.41 1604.51 o 0.26687 6 0 0 189020.95 189020.95 4347.65 o 0.32025 7 0 0 32070.43 32070.43 1790.82 o 0.37362 8 0 0 141637.63 141637.63 3763.48 o 0.42700 9 0 0 187.11 187.11 136.79 o 0.48037 10 0 0 149123.63 149123.63 3861.65 o 0.53375 11 0 0 37767.77 37767.77 1943.39 o 0.58712 12 0 0 16370.71 16370.71 1279.48 o 0.64050 13 0 0 47121.96 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