#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2203566.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_2203566_Fobs loop_ _publ_author_name 'Chen, Fan' 'Li, Xin-Hua' 'Xiao, Hong-Ping' 'Hu, Mao-Lin' _publ_section_title ; \m-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)] \m-terephthalato-bis[diaqua(1,10-phenanthroline)cuprate(II)] dichloride dihydrate ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m708 _journal_page_last m710 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 85.428 _cell_angle_beta 80.718 _cell_angle_gamma 79.379 _cell_length_a 9.5319 _cell_length_b 10.1713 _cell_length_c 16.4797 _exptl_crystal_F_000 808.00 _reflns_d_resolution_high 0.8305 _[local]_cod_data_source_file ci6362Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CI6362 C64 H56 Cl4 Cu4 N8 O16' _shelx_refln_list_code 4 _shelx_f_calc_maximum 419.79 _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 1 0 0 19.03 18.39 2.04 o 2 0 0 283.58 188.23 8.76 o 3 0 0 0.24 4.90 3.08 o 4 0 0 8791.24 9101.51 95.94 o 5 0 0 0.34 13.75 3.83 o 6 0 0 5035.46 5237.94 82.60 o 7 0 0 73.18 80.91 11.64 o 8 0 0 208.77 276.09 28.21 o 9 0 0 7.87 19.76 5.96 o 10 0 0 3.36 8.35 7.59 o 11 0 0 72.18 64.85 19.29 o -10 1 0 48.21 49.06 13.90 o -9 1 0 3365.00 3415.32 103.45 o -8 1 0 4.60 15.64 4.86 o -7 1 0 246.34 276.53 19.42 o -6 1 0 498.97 457.29 27.13 o -5 1 0 2630.19 2559.07 52.37 o -4 1 0 48.58 66.10 7.85 o -3 1 0 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