#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/08/2230853.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_2230853_Fobs loop_ _publ_author_name 'Ren, Yupo' _publ_section_title ; Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)-1\k^2^O,O';4\k^2^O,O'-di-\m~2~-chlorido-1:2\k^2^Cl;3:4\k^2^Cl-octamethyl-1\k^2^C,2\k^2^C,3\k^2^C,4\k^2^C-di-\m~3~-oxido-1:2:3\k^3^O;2:3:4\k^3^O-tetratin(IV) ; _journal_coeditor_code RZ2611 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m984 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 109.779 _cell_angle_beta 96.340 _cell_angle_gamma 97.204 _cell_length_a 9.3685 _cell_length_b 9.8651 _cell_length_c 9.9103 _exptl_crystal_F_000 468.00 _reflns_d_resolution_high 0.8407 _[local]_cod_data_source_file rz2611Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 080920b in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 268.38 _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 18891.86 19200.63 185.68 o 2 0 0 1194.84 1439.96 30.11 o 3 0 0 131.47 163.96 16.47 o 4 0 0 126.97 145.86 28.76 o 5 0 0 745.10 639.58 26.93 o 6 0 0 3558.41 3570.78 118.40 o 7 0 0 2555.48 2593.87 109.22 o 8 0 0 215.87 201.56 47.04 o 9 0 0 226.62 190.85 48.28 o 10 0 0 242.74 255.15 56.21 o -11 1 0 82.56 127.43 46.60 o -10 1 0 392.03 587.05 76.46 o -9 1 0 819.32 876.71 75.29 o -8 1 0 376.70 329.49 57.60 o -7 1 0 177.94 181.75 44.78 o -6 1 0 360.23 301.97 47.48 o -5 1 0 1868.03 1726.17 41.93 o -4 1 0 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99.47 o -2 8 0 2549.22 2630.13 126.34 o -1 8 0 998.64 1046.37 87.23 o 0 8 0 1.40 -20.53 42.60 o 1 8 0 215.65 187.87 61.89 o 2 8 0 68.17 25.41 48.64 o 3 8 0 0.02 -9.21 20.33 o 4 8 0 75.34 39.18 33.20 o 5 8 0 74.29 89.03 34.62 o 6 8 0 1.20 18.71 36.99 o -7 9 0 62.03 58.98 45.87 o -6 9 0 454.37 422.27 53.37 o -5 9 0 281.18 282.53 83.01 o -4 9 0 31.85 -49.73 53.23 o -3 9 0 100.27 149.57 67.50 o -2 9 0 613.33 493.91 86.87 o -1 9 0 591.08 546.05 88.69 o 0 9 0 13.27 -37.86 45.15 o 1 9 0 23.63 14.27 50.97 o 2 9 0 0.26 -31.02 46.24 o 3 9 0 110.54 95.10 63.42 o 4 9 0 260.27 262.04 48.71 o -6 10 0 438.15 447.41 58.29 o -5 10 0 828.09 976.47 127.57 o -4 10 0 475.91 420.52 98.01 o -3 10 0 141.90 111.70 71.87 o -2 10 0 26.47 -3.64 55.85 o -1 10 0 26.31 -37.57 51.04 o 0 10 0 137.63 96.63 66.55 o 1 10 0 422.71 413.67 89.42 o 2 10 0 377.87 449.28 90.73 o -2 11 0 131.20 57.89 67.21 o -1 11 0 51.93 -3.35 59.93 o 0 -11 1 23.78 -88.54 59.86 o 1 -11 1 17.48 -59.86 58.03 o 2 -11 1 63.81 -29.42 62.19 o 3 -11 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