#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:10:51 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180827 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/58/2015891.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_2015891_Fobs loop_ _publ_author_name 'Al-Far, Rawhi' 'Ali, Basem Fares' _publ_section_title ; Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV) ; _journal_coeditor_code GA3039 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m137 _journal_page_last m139 _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 94.245 _cell_angle_beta 103.258 _cell_angle_gamma 93.898 _cell_length_a 9.8574 _cell_length_b 11.4847 _cell_length_c 12.5957 _exptl_crystal_F_000 1060.00 _reflns_d_resolution_high 0.8331 _cod_data_source_file ga3039Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' bt929 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 498.50 _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 39319.91 43175.32 768.94 o 2 0 0 5909.90 6047.35 140.06 o 3 0 0 2034.77 2039.94 68.78 o 4 0 0 58148.05 62469.01 1389.27 o 5 0 0 11407.51 11366.90 263.34 o 6 0 0 14703.67 14286.66 329.87 o 7 0 0 191.81 210.61 27.49 o 8 0 0 7121.64 7300.75 223.68 o 9 0 0 39.67 50.85 50.63 o 10 0 0 1067.86 1123.36 98.41 o 11 0 0 151.61 245.01 74.93 o -11 1 0 382.22 393.33 77.58 o -10 1 0 5.59 38.04 57.89 o -9 1 0 450.51 499.40 67.78 o -8 1 0 862.85 946.55 62.81 o -7 1 0 6.31 41.62 22.16 o -6 1 0 99.56 162.50 22.25 o -5 1 0 870.33 779.24 38.06 o -4 1 0 6998.72 7040.13 189.36 o -3 1 0 8761.59 8887.87 203.21 o -2 1 0 1046.08 1104.85 33.28 o -1 1 0 15.82 8.99 4.04 o 0 1 0 37.57 45.22 9.63 o 1 1 0 1006.07 1115.75 43.90 o 2 1 0 68.61 73.12 10.67 o 3 1 0 5.60 17.25 10.86 o 4 1 0 317.80 346.77 20.36 o 5 1 0 20698.09 20217.57 460.03 o 6 1 0 16580.35 15761.33 364.32 o 7 1 0 1831.52 1765.08 63.11 o 8 1 0 30.89 18.11 52.70 o 9 1 0 206.99 238.67 58.62 o 10 1 0 123.69 153.53 67.67 o 11 1 0 44.92 20.06 74.69 o -11 2 0 1646.11 1736.41 143.66 o -10 2 0 276.15 407.91 93.83 o -9 2 0 1182.28 1241.05 76.71 o -8 2 0 317.89 358.40 46.19 o -7 2 0 10635.28 10310.00 245.91 o -6 2 0 3282.64 3392.21 91.72 o -5 2 0 22506.88 23391.24 528.65 o -4 2 0 1915.62 2058.90 72.18 o -3 2 0 27140.92 29031.55 648.13 o -2 2 0 989.51 1262.71 36.71 o -1 2 0 40514.87 43427.89 964.15 o 0 2 0 15430.19 16611.40 575.87 o 1 2 0 15733.39 17802.99 398.88 o 2 2 0 248502.97 258151.17 5702.05 o 3 2 0 308.88 268.97 17.91 o 4 2 0 3362.62 3459.61 89.17 o 5 2 0 24967.13 24389.72 553.67 o 6 2 0 1977.94 1833.26 68.94 o 7 2 0 38.38 47.18 25.08 o 8 2 0 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