#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/39/2213906.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_2213906_Fobs loop_ _publ_author_name 'Chartrand, Daniel' 'Theobald, Isabelle' 'Hanan, Garry S.' _publ_section_title ; Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate ; _journal_coeditor_code NC2035 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1561 _journal_volume 63 _journal_year 2007 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 89.735 _cell_angle_beta 88.709 _cell_angle_gamma 83.637 _cell_length_a 8.3158 _cell_length_b 9.2087 _cell_length_c 16.2114 _exptl_crystal_F_000 686.00 _reflns_d_resolution_high 0.8322 _[local]_cod_data_source_file nc2035Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gar148 in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 203.85 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz '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 -2 -19 871.60 882.87 38.42 o 0 -2 -19 70.45 84.06 15.51 o -2 -1 -19 412.92 392.41 30.18 o -1 -1 -19 384.40 402.18 31.24 o 0 -1 -19 925.46 951.00 63.50 o 1 -1 -19 628.94 610.31 30.14 o -2 0 -19 340.38 302.90 24.02 o -1 0 -19 72.12 90.32 10.68 o 0 0 -19 5.74 2.87 8.19 o 1 0 -19 831.64 879.19 38.98 o 0 1 -19 519.04 515.63 36.24 o 1 1 -19 128.64 126.27 11.59 o -1 -4 -18 233.32 229.26 22.40 o 0 -4 -18 81.67 104.05 15.92 o -3 -3 -18 721.30 696.70 45.78 o -2 -3 -18 274.11 263.32 25.71 o -1 -3 -18 866.81 899.30 40.04 o 0 -3 -18 1763.98 1758.57 100.00 o 1 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