#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216336.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_2216336_Fobs loop_ _publ_author_name 'Aghabozorg, Hossein' 'Derikvand, Zohreh' 'Nemati, Andya' 'Ghadermazi, Mohammad' _publ_section_title ; Tetraaqua(pyridine-2,5-dicarboxylato-\k^2^N,O^2^)nickel(II) monohydrate ; _journal_coeditor_code BX2109 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2919 _journal_page_last m2920 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 84.754 _cell_angle_beta 83.001 _cell_angle_gamma 67.699 _cell_length_a 6.66330 _cell_length_b 8.3996 _cell_length_c 10.7882 _exptl_crystal_F_000 324.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file bx2109Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a P -1 R = 0.02 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 167.99 _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 72504.98 72504.98 2692.68 o 0.08147 2 0 0 2822103.75 2822103.75 16799.12 o 0.16294 3 0 0 285320.53 285320.53 5341.54 o 0.24441 4 0 0 448511.88 448511.88 6697.10 o 0.32588 5 0 0 75756.82 75756.82 2752.40 o 0.40735 6 0 0 128582.41 128582.41 3585.84 o 0.48882 7 0 0 45980.73 45980.73 2144.31 o 0.57029 8 0 0 13432.12 13432.12 1158.97 o 0.65176 9 0 0 51486.01 51486.01 2269.05 o 0.73323 -9 1 0 3159.63 3159.63 562.11 o 0.75959 -8 1 0 32678.65 32678.65 1807.72 o 0.67840 -7 1 0 2848.89 2848.89 533.75 o 0.59729 -6 1 0 63689.04 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