#------------------------------------------------------------------------------ #$Date: 2013-03-10 17:00:37 +0200 (Sun, 10 Mar 2013) $ #$Revision: 75609 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/88/2018800.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_2018800_Fobs loop_ _publ_author_name 'Ozawa, Yoshiki' 'Kim, Misa' 'Toriumi, Koshiro' _publ_section_title ; A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](\m-SCN)[Pt^IV^(en)~2~](\m-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine) ; _journal_coeditor_code WQ3023 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 146 _journal_page_last 149 _journal_volume 69 _journal_year 2013 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.944 _cell_angle_beta 91.574 _cell_angle_gamma 113.765 _cell_length_a 9.0535 _cell_length_b 9.6033 _cell_length_c 9.6034 _exptl_crystal_F_000 546.00 _reflns_d_resolution_high 0.7700 _[local]_cod_data_source_file wq3023Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' km940210 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 241.53 _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 0 456.60 552.31 9.05 o 3 0 0 22726.63 21232.32 414.87 o 4 0 0 24444.56 23682.29 543.81 o 5 0 0 14396.40 13665.91 421.05 o 6 0 0 7369.85 6861.90 297.04 o 7 0 0 8693.05 9179.14 365.18 o 8 0 0 7305.55 7240.78 309.03 o 9 0 0 4883.60 4868.17 299.82 o 10 0 0 2995.18 3039.07 205.52 o -11 1 0 3.80 11.62 15.11 o -10 1 0 11.74 14.16 9.32 o -9 1 0 201.38 211.74 16.89 o -8 1 0 7.77 22.09 7.30 o -7 1 0 94.16 111.83 9.35 o -6 1 0 55.74 56.29 4.25 o -5 1 0 1101.29 1122.05 25.06 o 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