#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2205631.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_2205631_Fobs loop_ _publ_author_name 'Parkin, Andrew' 'Spanswick, Christopher K.' 'Pulham, Colin R.' 'Wilson, Chick C.' _publ_section_title ; 2-Iodoaniline at 100 K ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1087 _journal_page_last o1089 _journal_volume 61 _journal_year 2005 _space_group_IT_number 145 _symmetry_space_group_name_Hall 'P 32' _symmetry_space_group_name_H-M 'P 32' _audit_creation_date 05-02-01 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 11.2952(8) _cell_length_b 11.2952(8) _cell_length_c 4.5325(4) _[local]_cod_data_source_file ya6240Isup2.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 0 0 -6 257.83 335.70 22.76 o -1 1 -6 107.19 120.29 16.31 o 0 1 -6 89.53 96.60 15.66 o 1 1 -6 27.41 34.57 14.37 o -3 2 -6 104.41 137.26 17.36 o -2 2 -6 23.31 30.21 15.40 o -1 2 -6 10.41 21.16 13.32 o 0 2 -6 23.50 39.10 15.35 o 1 2 -6 5.06 15.32 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