#------------------------------------------------------------------------------ #$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $ #$Revision: 74188 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018662.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_2018662_Fobs loop_ _publ_author_name 'Schnitzler, Silvia' '\,Serb, Mihaela-Diana' 'Englert, Ulli' _publ_section_title ; The weakly coordinating perchlorate group in bis(N,N'-dimethylethylenediamine-\k^2^N,N')bis(perchlorato-\kO)copper(II) studied at 100, 250 and 400K ; _journal_coeditor_code SK3443 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m251 _journal_page_last m254 _journal_volume 68 _journal_year 2012 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 95.533 _cell_angle_gamma 90.000 _cell_length_a 8.5966 _cell_length_b 13.655 _cell_length_c 14.966 _exptl_crystal_F_000 908.00 _reflns_d_resolution_high 0.7959 _[local]_cod_data_source_file sk3443Ibsup3.hkl _[local]_cod_data_source_block Ib #BEGIN Tags that were not found in dictionaries: _shelx_title ' silvia250 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 262.54 _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+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' 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 0 0 -18 494.99 484.48 207.38 o 2 0 -18 1347.96 1867.94 358.63 o 4 0 -18 461.97 648.02 232.45 o -1 1 -18 40.89 178.75 113.81 o 1 1 -18 102.50 54.54 102.59 o 3 1 -18 258.14 464.36 143.89 o 0 2 -18 46.36 16.69 106.40 o 2 2 -18 70.31 136.80 123.01 o -1 3 -18 117.16 335.28 205.08 o 1 3 -18 95.52 185.18 127.13 o 3 3 -18 247.96 251.21 211.31 o 0 4 -18 436.70 708.82 291.52 o 2 4 -18 906.32 1452.53 347.16 o -3 1 -17 281.50 205.19 212.70 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