#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/30/2223091.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_2223091_Fobs loop_ _publ_author_name 'Lee, See Mun' 'Lo, Kong Mun' 'Mohd Ali, Hapipah' 'Robinson, Ward T.' _publ_section_title ; Bis[4-(dimethylamino)pyridinium] tetrabromidobis(4-chlorophenyl)stannate(IV)--4-bromochlorobenzene (1/1) ; _journal_coeditor_code HG2523 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1039 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 111.161 _cell_angle_beta 93.381 _cell_angle_gamma 92.847 _cell_length_a 8.7692 _cell_length_b 10.1277 _cell_length_c 11.4070 _exptl_crystal_F_000 530.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file hg2523Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' retry in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 180.35 _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 2 0 0 587.95 673.81 17.53 o 3 0 0 13805.78 15301.26 370.05 o 4 0 0 6306.32 6486.61 156.18 o 5 0 0 622.54 713.65 20.72 o 6 0 0 1955.19 1983.50 50.68 o 7 0 0 470.81 499.14 18.49 o 8 0 0 1256.74 1290.56 36.34 o 9 0 0 748.83 776.44 26.46 o 10 0 0 555.85 546.63 23.59 o 11 0 0 1163.51 1215.34 50.68 o -11 1 0 51.70 46.54 19.76 o -10 1 0 61.25 44.94 16.57 o -9 1 0 43.87 51.00 8.73 o -8 1 0 862.06 891.51 27.09 o -7 1 0 4689.92 4791.57 116.98 o -6 1 0 4250.90 4511.08 109.96 o -5 1 0 50.37 49.40 5.74 o -4 1 0 7743.31 8338.15 200.49 o -3 1 0 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271.95 12.24 o 5 9 0 1065.45 1013.88 25.12 o 6 9 0 4241.06 4091.17 78.19 o 7 9 0 1300.44 1244.67 39.20 o -7 10 0 99.24 121.99 16.83 o -6 10 0 18.38 7.29 16.57 o -5 10 0 1.86 -8.99 14.07 o -4 10 0 100.44 83.63 14.77 o -3 10 0 1060.19 1097.86 33.43 o -2 10 0 0.51 6.19 12.93 o -1 10 0 1882.65 1971.62 47.75 o 0 10 0 1267.48 1249.53 34.44 o 1 10 0 19.07 21.13 7.64 o 2 10 0 1625.69 1556.03 28.76 o 3 10 0 4884.40 4696.89 74.71 o 4 10 0 841.10 775.06 19.00 o 5 10 0 172.46 146.76 13.62 o -5 11 0 612.42 656.76 29.83 o -4 11 0 587.84 617.86 28.54 o -3 11 0 1720.15 1748.66 45.79 o -2 11 0 647.71 671.53 28.24 o -1 11 0 2991.67 3121.66 69.94 o 0 11 0 1943.43 1965.42 55.78 o 1 11 0 188.90 171.18 15.70 o 2 11 0 591.62 539.36 24.43 o 3 11 0 505.53 498.33 16.79 o 4 11 0 40.82 28.12 14.26 o -3 12 0 2.35 -4.25 32.35 o -2 12 0 114.62 109.39 23.27 o -1 12 0 931.76 981.71 34.39 o 0 12 0 48.38 43.68 16.00 o 1 12 0 280.98 301.01 23.51 o -2 -12 1 103.32 97.97 16.57 o -1 -12 1 270.72 272.28 22.72 o 0 -12 1 51.32 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