#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2003575.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_2003575_Fobs loop_ _publ_author_name 'Bruhn, C.' 'Preetz, W.' _publ_section_title ; fac- and mer-Dipyridiniomethane Trichlorotrifluoroosmate(IV), fac- and mer-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~] ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1112 _journal_page_last 1116 _journal_volume 51 _journal_year 1995 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _exptl_crystal_F_000 984.00 _[local]_cod_data_source_file jz1030mosf3a2sup3.hkl _[local]_cod_data_source_block mosf3a2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' mer-Dipyridiniomethane-[OsF3Cl3]' _shelx_refln_list_code 4 _shelx_f_calc_maximum 402.61 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 49295.68 50505.08 427.87 o 4 0 0 92.39 224.48 46.85 o 6 0 0 1035.49 1087.63 70.30 o 8 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398.03 o 0 2 1 99.34 103.44 32.04 o 1 2 1 162097.61 158786.20 2778.52 o 2 2 1 2064.37 2013.92 54.75 o 3 2 1 3307.03 3516.91 93.89 o 4 2 1 5936.49 5873.41 176.20 o 5 2 1 5442.27 5430.94 150.64 o 6 2 1 10910.79 10785.69 276.30 o 7 2 1 3123.52 3131.98 109.41 o 8 2 1 4297.37 4223.16 127.03 o 9 2 1 7615.40 7466.88 252.29 o 10 2 1 149.86 17.57 107.36 o 11 2 1 8716.48 8739.61 264.01 o -11 3 1 3641.65 3682.26 156.28 o -10 3 1 2840.02 3082.16 132.82 o -9 3 1 392.68 400.18 91.75 o -8 3 1 5819.04 5491.98 177.92 o -7 3 1 5126.99 5036.32 162.27 o -6 3 1 100.87 70.27 128.83 o -5 3 1 34303.87 33824.91 556.42 o -4 3 1 2535.53 2517.25 87.95 o -3 3 1 38010.84 39781.27 499.31 o -2 3 1 74.42 9.76 54.66 o -1 3 1 39697.22 39090.86 408.61 o 0 3 1 13927.37 14605.56 178.30 o 1 3 1 660.50 646.46 42.97 o 2 3 1 6233.14 6039.10 150.98 o 3 3 1 9767.20 10105.91 284.65 o 4 3 1 47.96 29.28 81.98 o 5 3 1 32345.08 33112.37 583.38 o 6 3 1 2.66 -81.98 128.82 o 7 3 1 29955.15 29367.52 654.06 o 8 3 1 518.31 616.88 85.90 o 9 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