#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/33/2013340.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_2013340_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' 'Park, Ki-Min' 'Ozeki, Tomoji' _publ_section_title ; Synchrotron structure determination of an \a-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[\a-SiPt~2~W~10~O~40~]·6H~2~O ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m152 _journal_page_last m155 _journal_volume 59 _journal_year 2003 _space_group_IT_number 82 _symmetry_space_group_name_Hall 'I -4' _symmetry_space_group_name_H-M 'I -4' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 13.2760 _cell_length_b 13.2760 _cell_length_c 18.9590 _exptl_crystal_F_000 3108.00 _reflns_d_resolution_high 0.6026 _[local]_cod_data_source_file ob1100Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Gu POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1202.13 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'y, -x, -z' '-x, -y, z' '-y, x, -z' 'x+1/2, y+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-x+1/2, -y+1/2, z+1/2' '-y+1/2, x+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 2 2 0 385864.88 371544.81 7898.25 o 1 3 0 206992.81 206419.56 3159.33 o 3 3 0 572073.69 536235.31 9665.56 o -2 4 0 442113.91 437247.53 6587.30 o 0 4 0 159420.06 144140.06 3562.62 o 2 4 0 74740.08 74087.59 1015.28 o 4 4 0 528913.69 473462.28 4525.90 o -3 5 0 600774.31 543863.88 4755.17 o -1 5 0 131241.47 129502.34 1229.95 o 1 5 0 50977.88 43523.46 735.92 o 3 5 0 78601.59 81011.77 872.32 o 5 5 0 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