#------------------------------------------------------------------------------ #$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $ #$Revision: 819 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221907.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_2221907_Fobs loop_ _publ_author_name 'Quan, Li' 'Yin, Handong' 'Cui, Liansheng' 'Yang, Minglei' 'Wang, Daqi' _publ_section_title ; Triphenylbis[4-(trifluoromethyl)benzoato-\kO]antimony(V) ; _journal_coeditor_code BH2229 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m656 _journal_page_last m657 _journal_volume 65 _journal_year 2009 _space_group_IT_number 171 _symmetry_space_group_name_Hall 'P 62' _symmetry_space_group_name_H-M 'P 62' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 12.9879 _cell_length_b 12.9879 _cell_length_c 16.0420 _exptl_crystal_F_000 1092.00 _reflns_d_resolution_high 0.8410 _[local]_cod_data_source_file bh2229Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 071212d in P62' _shelx_refln_list_code 4 _shelx_f_calc_maximum 327.63 _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, x, z+1/3' '-y, x-y, z+2/3' '-x, -y, z' '-x+y, -x, z+1/3' 'y, -x+y, z+2/3' 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 1 -19 139.05 143.84 21.75 o 0 0 -18 532.26 630.03 61.67 o 0 1 -18 60.53 32.88 17.28 o -1 2 -18 57.23 31.04 19.85 o 0 2 -18 463.30 509.41 30.97 o -2 3 -18 34.51 -5.58 19.61 o -1 3 -18 50.73 44.84 19.74 o 0 3 -18 56.97 50.53 24.21 o -3 4 -18 43.03 24.83 21.51 o -2 4 -18 319.46 373.90 32.42 o -1 4 -18 16.33 -5.36 22.31 o 0 4 -18 312.37 397.76 35.49 o -3 5 -18 18.45 -15.31 20.06 o -2 5 -18 37.95 26.17 24.29 o 0 1 -17 569.36 551.17 25.27 o -1 2 -17 386.30 430.56 28.05 o 0 2 -17 13.07 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