#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/51/2015185.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_2015185_Fobs loop_ _publ_author_name 'Wu, Zhi-Yong' 'Li, Yan-Tuan' 'Xu, Duan-Jun' _publ_section_title ; Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium(IV) tetrahydrate ; _journal_coeditor_code SF1012 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m463 _journal_page_last m465 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 102.318 _cell_angle_beta 102.614 _cell_angle_gamma 110.500 _cell_length_a 7.9043 _cell_length_b 10.2299 _cell_length_c 12.5974 _exptl_crystal_F_000 482.00 _reflns_d_resolution_high 0.7706 _[local]_cod_data_source_file sf1012Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' pp-1 in P -1' _shelx_refln_list_code 3 _shelx_f_calc_maximum 181.33 #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_meas _refln_F_sigma _refln_A_calc _refln_B_calc 1 0 0 67.2901 0.0515 67.7653 0.0000 2 0 0 23.2127 0.1154 22.3950 0.0000 3 0 0 4.4737 0.2036 2.7960 0.0000 4 0 0 3.2147 0.3416 -3.1841 0.0000 5 0 0 11.4278 0.1433 -11.7561 0.0000 6 0 0 7.4371 0.3078 7.5904 0.0000 7 0 0 20.6230 0.3141 -21.3161 0.0000 8 0 0 9.2124 0.2872 -9.5807 0.0000 9 0 0 7.2434 0.6733 -6.3357 0.0000 -9 1 0 8.7645 0.6860 8.0346 0.0000 -8 1 0 3.8870 0.6024 -3.8044 0.0000 -7 1 0 16.0314 0.2711 -15.9855 0.0000 -6 1 0 20.3473 0.1600 -20.6171 0.0000 -5 1 0 27.1954 0.3382 -26.8785 0.0000 -4 1 0 25.8303 0.2369 -26.4595 0.0000 -3 1 0 45.9976 0.3725 44.4371 0.0000 -2 1 0 46.2613 0.1867 46.1250 0.0000 -1 1 0 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