#------------------------------------------------------------------------------ #$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $ #$Revision: 74188 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018663.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_2018663_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 94.866 _cell_angle_gamma 90.000 _cell_length_a 8.731 _cell_length_b 13.824 _cell_length_c 15.314 _exptl_crystal_F_000 908.00 _reflns_d_resolution_high 0.7944 _[local]_cod_data_source_file sk3443Icsup4.hkl _[local]_cod_data_source_block Ic #BEGIN Tags that were not found in dictionaries: _shelx_title ' f11_aa78 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 263.32 _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 1 1 -19 29.24 -12.14 106.63 o 0 2 -19 37.84 35.18 45.41 o 2 2 -19 63.63 9.75 115.35 o -2 0 -18 28.30 -27.20 34.36 o 0 0 -18 22.75 48.27 39.88 o 2 0 -18 89.36 71.11 47.86 o 4 0 -18 42.43 117.81 56.31 o -3 1 -18 8.93 -3.75 24.95 o -1 1 -18 7.60 -13.02 25.23 o 1 1 -18 13.19 0.68 25.43 o 3 1 -18 34.85 0.89 34.36 o -2 2 -18 1.29 -27.68 44.25 o 0 2 -18 2.80 39.47 27.54 o 2 2 -18 3.19 -15.20 30.13 o 4 2 -18 1.99 -1.70 71.24 o -1 3 -18 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