#------------------------------------------------------------------------------ #$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $ #$Revision: 819 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2222270.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_2222270_Fobs loop_ _publ_author_name 'Wu, Yu' 'Xie, Bin' 'Zou, Li-Ke' 'Wu, Wei-Ping' 'Lu, Lu' _publ_section_title ; (Dimethylformamide-\kO){4,4',6,6'-tetrabromo-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato-\k^4^O,N,N',O'}copper(II) dimethylformamide solvate ; _journal_coeditor_code CI2819 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m758 _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 94.207 _cell_angle_beta 100.310 _cell_angle_gamma 104.117 _cell_length_a 7.3742 _cell_length_b 11.9542 _cell_length_c 17.2116 _exptl_crystal_F_000 818.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file ci2819Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' y2601 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 440.97 _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 9568.91 9651.15 125.59 o 3 0 0 2897.01 2900.50 56.09 o 4 0 0 2058.87 2105.32 66.12 o 5 0 0 7.76 14.52 10.50 o 6 0 0 68.82 76.75 26.36 o 7 0 0 243.49 255.43 55.25 o 8 0 0 5939.01 5179.37 253.18 o 9 0 0 8.67 47.24 45.03 o -9 1 0 233.64 243.03 58.13 o -8 1 0 108.28 60.16 43.73 o -7 1 0 84.36 84.88 44.57 o -6 1 0 688.90 786.03 98.87 o -5 1 0 2946.41 3015.64 92.59 o -4 1 0 13.68 36.01 15.65 o -3 1 0 35905.57 36428.09 391.06 o -2 1 0 7945.90 8466.38 65.41 o 1 1 0 329.13 299.85 11.10 o 2 1 0 14576.50 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