#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/35/2213506.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_2213506_Fobs loop_ _publ_author_name 'Aghabozorg, Hossein' 'Ghasemikhah, Pouya' 'Ghadermazi, Mohammad' 'Soleimannejad, Janet' 'Adams, Harry' _publ_section_title ; Triaqua(pyridine-2,6-dicarboxylato)magnesium(II) dihydrate ; _journal_coeditor_code PR2003 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1487 _journal_page_last m1489 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 97.383 _cell_angle_gamma 90.000 _cell_length_a 8.92290 _cell_length_b 9.9459 _cell_length_c 13.2508 _exptl_crystal_F_000 584.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file pr2003Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ilam4 P2(1)/n R = 0.03 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 176.52 _shelx_f_squared_multiplier 0.010 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2+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 2 0 0 85485.32 85485.32 2923.79 o 0.11301 4 0 0 18161.07 18161.07 1347.63 o 0.22602 6 0 0 144269.08 144269.08 3798.28 o 0.33902 8 0 0 7007.81 7007.81 837.13 o 0.45203 10 0 0 9.59 9.59 30.97 o 0.56504 12 0 0 14624.49 14624.49 1209.32 o 0.67805 1 1 0 91264.91 91264.91 3021.01 o 0.07563 2 1 0 189432.11 189432.11 4352.38 o 0.12369 3 1 0 55202.78 55202.78 2349.53 o 0.17681 4 1 0 35242.79 35242.79 1877.31 o 0.23154 5 1 0 36712.79 36712.79 1916.06 o 0.28696 6 1 0 197300.11 197300.11 4441.85 o 0.34273 7 1 0 878.08 878.08 296.32 o 0.39871 8 1 0 840.38 840.38 289.89 o 0.45482 9 1 0 20874.95 20874.95 1444.82 o 0.51102 10 1 0 7682.72 7682.72 876.51 o 0.56727 11 1 0 1151.29 1151.29 339.31 o 0.62357 12 1 0 12850.49 12850.49 1133.60 o 0.67991 0 2 0 262679.66 262679.66 5125.23 o 0.10054 1 2 0 43303.63 43303.63 2080.95 o 0.11533 2 2 0 3115785.00 3115785.00 17651.59 o 0.15126 3 2 0 32.51 32.51 57.01 o 0.19709 4 2 0 1064.75 1064.75 326.30 o 0.24737 5 2 0 17009.91 17009.91 1304.22 o 0.29988 6 2 0 2123.60 2123.60 460.83 o 0.35362 7 2 0 18272.98 18272.98 1351.78 o 0.40811 8 2 0 33689.22 33689.22 1835.46 o 0.46308 9 2 0 72452.02 72452.02 2691.69 o 0.51838 10 2 0 7051.84 7051.84 839.75 o 0.57392 11 2 0 1944.37 1944.37 440.95 o 0.62962 12 2 0 2549.70 2549.70 504.95 o 0.68546 1 3 0 14095.12 14095.12 1187.23 o 0.16105 2 3 0 83982.99 83982.99 2897.98 o 0.18846 3 3 0 88808.77 88808.77 2980.08 o 0.22689 4 3 0 473743.16 473743.16 6882.90 o 0.27171 5 3 0 54979.39 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