#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/06/2010661.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_2010661_Fobs loop_ _publ_author_name 'Antoli\'c, Snje\N,N')(pyrimidine-2-carboxylato-N^1^,O)cobalt(III) bis(trifluoromethanesulfonate) dihydrate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first e51 _journal_page_last e52 _journal_volume 56 _journal_year 2000 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.400 _cell_angle_beta 81.980 _cell_angle_gamma 74.610 _cell_length_a 6.4976 _cell_length_b 12.7290 _cell_length_c 14.7410 _exptl_crystal_F_000 648.00 _reflns_d_resolution_high 0.7022 _[local]_cod_data_source_file qa0203Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' triflat u P-1, NISKA TEMP. centrosimetricna' _shelx_refln_list_code 4 _shelx_f_calc_maximum 181.64 _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 1570.40 1834.66 47.41 o 2 0 0 1356.44 1400.01 40.77 o 3 0 0 1337.30 1488.06 51.37 o 4 0 0 2129.90 2508.92 75.83 o 5 0 0 1462.36 1435.88 48.12 o 6 0 0 243.74 312.12 24.43 o 7 0 0 1902.63 1819.47 56.41 o 8 0 0 118.46 114.27 28.56 o -8 1 0 39.58 21.01 59.79 o -7 1 0 56.73 57.22 19.36 o -6 1 0 309.93 292.60 24.97 o -5 1 0 2582.17 2524.86 72.28 o -4 1 0 329.43 335.88 18.41 o -3 1 0 1264.83 1251.77 39.39 o -2 1 0 1286.49 1193.74 39.69 o -1 1 0 1792.69 2035.02 55.12 o 1 1 0 55.60 93.46 8.90 o 2 1 0 641.09 674.29 19.56 o 3 1 0 482.39 614.16 19.02 o 4 1 0 212.45 240.93 16.61 o 5 1 0 902.10 944.32 33.09 o 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