#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/52/2015221.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_2015221_Fobs loop_ _publ_author_name 'Smith, Graham' 'Wermuth, Urs D.' 'White, Jonathan M.' _publ_section_title ; Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K ; _journal_coeditor_code TA1515 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o621 _journal_page_last o624 _journal_volume 61 _journal_year 2005 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 75.775 _cell_angle_beta 80.917 _cell_angle_gamma 81.553 _cell_length_a 9.2355 _cell_length_b 9.6894 _cell_length_c 17.1446 _exptl_crystal_F_000 668.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file ta1515Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' jmwgs87lt in P1 at LT' _shelx_refln_list_code 4 _shelx_f_calc_maximum 142.92 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l 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