#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/24/2012479.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_2012479_Fobs loop_ _publ_author_name 'Hinkle, Robert J.' 'McDonald, Robert' _publ_section_title ; (Z)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o117 _journal_page_last o121 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 69.245 _cell_angle_beta 88.342 _cell_angle_gamma 74.358 _cell_length_a 9.1705 _cell_length_b 13.4357 _cell_length_c 15.6030 _exptl_crystal_F_000 952.00 _reflns_d_resolution_high 0.7965 _[local]_cod_data_source_file bk1616IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' rrt0104 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.09 _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 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254.13 114.39 o 10 1 0 681.90 728.02 186.90 o 11 1 0 1.15 69.79 152.34 o -10 2 0 791.77 780.44 178.56 o -9 2 0 38.38 120.17 117.11 o -8 2 0 200.37 162.22 75.19 o -7 2 0 43.90 106.53 67.98 o -6 2 0 260.18 253.63 79.56 o -5 2 0 2.06 -40.72 76.80 o -4 2 0 4239.59 3751.71 115.62 o -3 2 0 0.19 5.38 37.93 o -2 2 0 10589.21 9887.87 521.13 o -1 2 0 166.13 142.37 54.10 o 0 2 0 681.83 627.75 29.57 o 1 2 0 21.28 -11.87 42.36 o 2 2 0 127516.03 144681.88 2159.88 o 3 2 0 77.40 116.30 36.65 o 4 2 0 8900.96 9658.59 179.65 o 5 2 0 337.88 346.50 38.55 o 6 2 0 14010.07 13805.75 251.60 o 7 2 0 90.91 50.44 59.87 o 8 2 0 1533.97 1896.56 151.49 o 9 2 0 116.88 102.64 103.66 o 10 2 0 1167.23 1057.05 154.56 o 11 2 0 3.95 7.32 136.17 o -10 3 0 849.61 688.70 159.49 o -9 3 0 0.65 105.25 115.32 o -8 3 0 1119.79 1094.74 190.90 o -7 3 0 72.02 78.79 63.93 o -6 3 0 10.17 -91.35 91.35 o -5 3 0 41.06 -35.62 56.80 o -4 3 0 2668.17 2713.28 238.22 o -3 3 0 135.21 161.47 78.24 o -2 3 0 22623.18 21203.28 228.32 o -1 3 0 8.12 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