#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016233.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_2016233_Fobs loop_ _publ_author_name 'Fabbiani, Francesca P. A.' 'Leech, Charlotte K.' 'Shankland, Kenneth' 'Johnston, Andrea' 'Fernandes, Philippe' 'Florence, Alastair J.' 'Shankland, Norman' _publ_section_title ; Hirshfeld surface analysis of two bendroflumethiazide solvates ; _journal_coeditor_code BM3035 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o659 _journal_page_last o663 _journal_volume 63 _journal_year 2007 _chemical_name_common 'Bendroflumethiazide acetone solvate' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.538(17) _cell_angle_beta 100.171(17) _cell_angle_gamma 100.42(2) _cell_length_a 8.192(2) _cell_length_b 9.525(2) _cell_length_c 14.101(2) _[local]_cod_data_source_file bm3035Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 1 0 0 64877.30 60495.27 789.94 o 2 0 0 620.49 461.60 46.33 o 3 0 0 231719.22 242577.83 2230.00 o 4 0 0 10537.73 12092.15 121.33 o 5 0 0 15836.70 14774.83 187.89 o 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