#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/55/2225574.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_2225574_Fobs loop_ _publ_author_name 'Soleimannejad, Janet' 'Attar Gharamaleki, Jafar' 'Aghabozorg, Hossein' 'Mohammadzadeh Azar Golenji, Yaghoub' _publ_section_title ; 4,4'-Bipyridinium bis(\m-4-oxo-1,4-dihydropyridine-2,6-dicarboxylato)bis[aquahydroxidoantimonate(III)] dihydrate ; _journal_coeditor_code HY2287 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m467 _journal_page_last m468 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 80.255 _cell_angle_beta 81.760 _cell_angle_gamma 82.547 _cell_length_a 7.7774 _cell_length_b 10.2465 _cell_length_c 17.7727 _exptl_crystal_F_000 852.00 _reflns_d_resolution_high 0.7662 _[local]_cod_data_source_file hy2287Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ym18_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 521.35 _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 34910.31 33398.28 892.93 o 2 0 0 2679.59 2804.34 60.73 o 3 0 0 5600.25 5993.63 70.02 o 4 0 0 43.17 63.60 4.51 o 5 0 0 4238.97 3995.12 46.37 o 6 0 0 6647.87 6683.29 79.13 o 7 0 0 7081.85 7302.62 87.83 o 8 0 0 2577.72 2669.78 43.36 o 9 0 0 537.19 618.81 63.48 o -9 1 0 377.86 375.47 20.04 o -8 1 0 1137.62 1146.38 28.06 o -7 1 0 3278.41 3155.83 67.87 o -6 1 0 4421.16 4232.99 51.12 o -5 1 0 3044.75 2978.55 37.29 o -4 1 0 239.80 226.56 7.64 o -3 1 0 458.92 500.13 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123.45 o 4 11 0 6193.89 6403.79 222.08 o 5 11 0 3111.22 3113.45 74.88 o 6 11 0 597.23 552.67 42.92 o -3 12 0 49.18 34.62 19.81 o -2 12 0 145.89 167.14 18.21 o -1 12 0 161.77 169.10 19.11 o 0 12 0 6.88 14.07 9.46 o 1 12 0 0.04 -1.02 8.91 o 2 12 0 14.36 19.56 13.07 o 3 12 0 162.70 190.81 25.58 o 4 12 0 8.67 10.56 17.56 o 5 12 0 315.95 315.78 54.40 o 0 13 0 1830.19 2001.44 84.38 o 1 13 0 41.27 54.42 25.99 o 2 13 0 1023.64 1158.78 48.31 o -1 -13 1 65.01 66.82 33.41 o -4 -12 1 2280.60 2247.69 91.89 o -3 -12 1 153.45 113.92 26.67 o -2 -12 1 159.10 144.27 22.51 o -1 -12 1 841.47 902.28 35.62 o 0 -12 1 2776.51 2810.45 65.55 o 1 -12 1 3302.29 3402.67 81.13 o 2 -12 1 2327.98 2222.52 58.24 o -6 -11 1 982.51 1028.19 49.21 o -5 -11 1 168.75 152.98 23.28 o -4 -11 1 291.64 262.76 27.74 o -3 -11 1 184.74 166.33 30.42 o -2 -11 1 3.15 12.16 11.67 o -1 -11 1 24.98 23.30 12.84 o 0 -11 1 102.24 86.79 16.65 o 1 -11 1 5.26 24.67 9.80 o 2 -11 1 102.45 109.36 14.39 o 3 -11 1 107.86 88.08 12.74 o 4 -11 1 139.12 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