#------------------------------------------------------------------------------ #$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $ #$Revision: 88054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/81/2238144.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_2238144_Fobs loop_ _publ_author_name 'Centore, Roberto' 'Ahmadi, Mehdi' 'Peluso, Andrea' _publ_section_title ; {4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-\kO)amino-\kN]methylidene}hydrazinylidene-\kN^1^)methyl]phenolato-\kO}(ethanol-\kO)dioxidouranium(VI) ; _journal_coeditor_code CV5416 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m362 _journal_page_last m363 _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 69.428 _cell_angle_beta 86.870 _cell_angle_gamma 70.379 _cell_length_a 10.3720 _cell_length_b 11.1380 _cell_length_c 11.1670 _exptl_crystal_F_000 676.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file cv5416Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' RT11' _shelx_refln_list_code 4 _shelx_f_calc_maximum 332.00 _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 3620.96 3540.18 74.97 o 3 0 0 2810.57 2639.41 59.20 o 4 0 0 2269.18 2241.49 64.82 o 5 0 0 5295.23 5681.30 147.72 o 6 0 0 4382.42 4760.99 106.84 o 7 0 0 3941.74 4134.15 127.25 o 8 0 0 3331.92 3453.04 85.39 o 9 0 0 54.94 31.24 32.89 o 10 0 0 787.89 789.21 38.96 o 11 0 0 1812.42 1925.27 68.53 o 12 0 0 740.77 685.69 70.35 o -12 1 0 119.00 157.00 52.84 o -11 1 0 398.10 369.38 30.94 o -10 1 0 1520.24 1575.59 51.84 o -9 1 0 1261.58 1291.20 45.51 o -8 1 0 3178.54 3195.74 84.35 o -7 1 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