#------------------------------------------------------------------------------ #$Date: 2009-12-10 09:06:56 +0200 (Thu, 10 Dec 2009) $ #$Revision: 927 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2223889.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_2223889_Fobs loop_ _publ_author_name 'Xing, Jing-Chun' 'Bo, Yu-Long' 'Zhang, Bing' 'Li, Wen-Zhi' _publ_section_title ; {\m-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)erbium(III) acetone solvate ; _journal_coeditor_code LH2899 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1299 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.056 _cell_angle_beta 87.298 _cell_angle_gamma 72.218 _cell_length_a 9.4142 _cell_length_b 12.1505 _cell_length_c 13.4395 _exptl_crystal_F_000 804.00 _reflns_d_resolution_high 0.7708 _[local]_cod_data_source_file lh2899Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' z in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 278.94 _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 36669.96 41506.55 1226.54 o 3 0 0 13281.10 14995.74 298.67 o 4 0 0 3771.94 3696.88 74.11 o 5 0 0 4075.29 4206.76 99.64 o 6 0 0 3382.09 3733.37 95.26 o 7 0 0 2412.84 2582.43 116.14 o 8 0 0 15.03 14.22 7.91 o 9 0 0 666.29 744.94 44.41 o 10 0 0 55.70 54.59 12.87 o 11 0 0 89.41 92.35 15.62 o -11 1 0 17.56 22.71 8.07 o -10 1 0 705.71 699.37 22.44 o -9 1 0 251.02 310.50 13.97 o -8 1 0 2242.93 2330.48 54.72 o -7 1 0 8390.57 9094.04 276.86 o -6 1 0 805.91 812.04 26.53 o -5 1 0 19398.79 22331.64 780.96 o -4 1 0 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