#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/76/2217666.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_2217666_Fobs loop_ _publ_author_name 'Soleimannejad, Janet' 'Aghabozorg, Hossein' 'Golenji, Yaghoub Mohammadzadeh Azar' 'Attar Gharamaleki, Jafar' 'Adams, Harry' _publ_section_title ; Bis(4,4'-bipyridinium) di-\m-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)] octahydrate ; _journal_coeditor_code SU2034 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m387 _journal_page_last m388 _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 92.816 _cell_angle_beta 97.813 _cell_angle_gamma 114.046 _cell_length_a 10.0149 _cell_length_b 10.4826 _cell_length_c 11.0974 _exptl_crystal_F_000 570.00 _reflns_d_resolution_high 0.7416 _[local]_cod_data_source_file su2034Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ilam104c in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 265.02 _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 4035.83 4020.64 61.35 o 2 0 0 5994.17 6374.63 82.35 o 3 0 0 4040.39 4079.18 22.65 o 4 0 0 1475.77 1459.10 12.04 o 5 0 0 35.88 57.33 5.39 o 6 0 0 1884.68 1955.13 53.26 o 7 0 0 3622.32 3564.84 79.88 o 8 0 0 1948.64 1863.89 27.84 o 9 0 0 18.03 19.16 6.29 o 10 0 0 506.16 504.23 16.76 o 11 0 0 514.46 512.36 17.96 o -12 1 0 503.58 527.97 27.92 o -11 1 0 275.38 287.39 14.37 o -10 1 0 29.49 43.54 6.18 o -9 1 0 1145.40 1072.80 21.97 o -8 1 0 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65.37 8.55 o -9 4 0 3290.82 3211.33 90.02 o -8 4 0 1833.03 1806.22 31.99 o -7 4 0 191.79 178.15 5.12 o -6 4 0 698.03 732.09 11.32 o -5 4 0 7481.14 7495.65 72.36 o -4 4 0 3344.71 3457.39 31.27 o -3 4 0 1064.06 1124.64 13.63 o -2 4 0 757.43 780.02 8.23 o -1 4 0 3912.63 3861.63 53.86 o 0 4 0 4071.42 4416.13 55.92 o 1 4 0 46.65 67.61 2.85 o 2 4 0 3726.42 3913.94 46.87 o 3 4 0 3503.48 3518.03 44.27 o 4 4 0 760.79 772.12 21.13 o 5 4 0 107.47 117.93 5.56 o 6 4 0 1218.16 1168.06 22.19 o 7 4 0 1785.84 1659.98 28.53 o 8 4 0 12.05 9.69 4.79 o 9 4 0 839.29 822.12 22.71 o -13 5 0 248.09 262.45 20.98 o -12 5 0 359.93 386.25 22.92 o -11 5 0 4.02 6.13 6.94 o -10 5 0 396.31 378.98 15.60 o -9 5 0 333.62 343.60 16.89 o -8 5 0 646.62 661.24 20.79 o -7 5 0 392.19 387.56 7.58 o -6 5 0 1998.39 2010.90 28.87 o -5 5 0 3571.53 3570.13 21.84 o -4 5 0 0.82 7.24 2.74 o -3 5 0 1907.44 1908.37 18.11 o -2 5 0 4583.17 4745.08 41.72 o -1 5 0 4878.54 5246.20 44.60 o 0 5 0 170.54 158.60 4.35 o 1 5 0 2842.78 2898.40 34.22 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92.33 o -9 9 0 433.90 423.56 29.46 o -8 9 0 770.94 757.82 32.36 o -7 9 0 836.46 801.47 20.05 o -6 9 0 662.24 631.65 15.23 o -5 9 0 184.47 184.81 8.21 o -4 9 0 401.69 379.42 11.14 o -3 9 0 4229.69 4056.14 36.15 o -2 9 0 3.90 13.77 6.33 o -1 9 0 223.08 228.61 8.77 o 0 9 0 780.11 809.43 16.42 o 1 9 0 1316.53 1293.42 25.72 o 2 9 0 59.40 66.02 10.98 o 3 9 0 235.57 265.66 12.21 o 4 9 0 1143.28 1117.92 36.48 o 5 9 0 485.32 504.89 25.99 o -11 10 0 418.22 461.56 17.93 o -10 10 0 551.44 573.04 24.78 o -9 10 0 99.82 95.64 9.33 o -8 10 0 2246.39 2199.90 72.07 o -7 10 0 1659.47 1655.15 55.61 o -6 10 0 11.35 7.34 7.10 o -5 10 0 625.13 634.16 22.60 o -4 10 0 1298.96 1250.52 21.21 o -3 10 0 377.58 374.76 13.08 o -2 10 0 27.87 32.56 4.99 o -1 10 0 1802.62 1772.84 25.60 o 0 10 0 1385.62 1394.18 33.25 o 1 10 0 488.51 482.26 16.69 o 2 10 0 309.91 327.76 14.36 o 3 10 0 618.34 557.99 27.60 o -11 11 0 63.14 80.06 15.50 o -10 11 0 342.79 354.15 41.08 o -9 11 0 767.32 770.32 38.98 o -8 11 0 844.89 868.25 29.54 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