#------------------------------------------------------------------------------ #$Date: 2012-02-14 12:59:18 +0200 (Tue, 14 Feb 2012) $ #$Revision: 34292 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/32/2233216.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_2233216_Fobs loop_ _publ_author_name 'Nielsen, Anne' 'McKenzie, Christine J.' 'Bond, Andrew D.' _publ_section_title ; (2,2'-Bipyridine-4,4'-dicarboxylic acid-\k^2^N,N')chlorido(2,2':6',2''-terpyridyl-\k^3^N,N',N'')ruthenium(II) perchlorate ethanol monosolvate monohydrate ; _journal_coeditor_code IS5031 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m77 _journal_page_last m78 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.913 _cell_angle_beta 104.110 _cell_angle_gamma 97.677 _cell_length_a 8.7132 _cell_length_b 11.9207 _cell_length_c 15.9015 _exptl_crystal_F_000 788.00 _reflns_d_resolution_high 0.8196 _[local]_cod_data_source_file is5031Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cm0725 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 254.60 _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 2 0 0 14.49 2.57 1.54 o 3 0 0 3044.41 2661.92 31.68 o 4 0 0 227.27 342.60 7.43 o 5 0 0 1044.24 1085.93 22.86 o 6 0 0 308.01 345.82 10.44 o 7 0 0 7.03 6.29 7.08 o 8 0 0 1.41 -5.92 10.24 o 9 0 0 53.01 51.76 16.60 o 10 0 0 351.80 378.48 33.38 o -10 1 0 162.24 158.12 22.19 o -9 1 0 105.37 110.87 16.91 o -8 1 0 18.11 5.52 10.94 o -7 1 0 51.41 32.02 7.33 o -6 1 0 640.03 611.98 21.24 o -5 1 0 1447.47 1297.46 20.99 o -4 1 0 1086.67 973.69 14.01 o -3 1 0 4598.14 5079.90 59.13 o -2 1 0 32172.52 36221.61 413.90 o 2 1 0 133.57 169.76 4.22 o 3 1 0 2466.72 2681.66 35.91 o 4 1 0 1137.04 1044.74 16.05 o 5 1 0 12.12 6.52 4.40 o 6 1 0 14.49 16.82 5.69 o 7 1 0 448.43 462.52 21.49 o 8 1 0 751.95 830.88 24.86 o 9 1 0 58.28 67.59 16.81 o 10 1 0 371.47 278.25 43.79 o -10 2 0 40.29 60.01 23.95 o -9 2 0 0.51 -5.27 15.28 o 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