#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/37/2013754.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_2013754_Fobs loop_ _publ_author_name 'Salmon, Lionel' 'Thu\'ery, Pierre' 'Ephritikhine, Michel' 'Masci, Bernardo' _publ_section_title ; Bis{bis[5-tert-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate: a uranyl bis(diphenoxide) complex resulting from homooxacalixarene cleavage ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m27 _journal_page_last m29 _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 102.472 _cell_angle_beta 106.903 _cell_angle_gamma 94.800 _cell_length_a 10.7189 _cell_length_b 11.1479 _cell_length_c 17.0975 _exptl_crystal_F_000 870.00 _reflns_d_resolution_high 0.8200 _[local]_cod_data_source_file fa1040Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 'I in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 276.06 _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 12740.31 12389.56 730.46 o 3 0 0 19144.40 19423.91 910.07 o 4 0 0 1641.22 1772.97 80.56 o 5 0 0 11088.81 10781.16 236.54 o 6 0 0 2462.18 2439.59 113.17 o 7 0 0 2512.50 2771.51 103.78 o 8 0 0 1701.52 1618.80 94.31 o 9 0 0 4410.82 4557.59 164.73 o 10 0 0 682.12 706.11 144.83 o 11 0 0 1226.33 1330.16 153.23 o 12 0 0 2151.15 1849.50 1380.72 o -12 1 0 546.28 467.82 543.57 o -11 1 0 2814.42 2788.52 155.70 o -10 1 0 1491.26 1618.90 156.27 o -9 1 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