#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:43:21 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181086 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/66/2216654.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_2216654_Fobs loop_ _publ_author_name 'Zhai, Jun' 'Yin, Handong' 'Li, Feng' 'Wang, Daqi' _publ_section_title ; Chloridobis(pyrrolidine-1-dithiocarboxylato-\k^2^S,S')antimony(III) ; _journal_coeditor_code LX2025 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2871 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 111.451 _cell_angle_beta 91.950 _cell_angle_gamma 102.334 _cell_length_a 6.3670 _cell_length_b 10.3680 _cell_length_c 13.4140 _exptl_crystal_F_000 444.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file lx2025Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 060620B IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 180.59 _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 1 0 0 13745.64 14706.84 188.28 o 2 0 0 2668.31 2858.77 49.64 o 3 0 0 4412.46 4406.23 75.73 o 4 0 0 2008.93 2008.89 49.34 o 5 0 0 673.76 617.97 29.31 o -6 1 0 307.18 238.98 21.35 o -5 1 0 84.03 72.71 13.67 o -4 1 0 365.77 365.90 19.97 o -3 1 0 272.31 218.10 13.82 o -2 1 0 830.19 820.55 22.01 o -1 1 0 992.76 1011.18 15.43 o 1 1 0 22.24 27.75 2.57 o 2 1 0 4033.63 4257.30 45.54 o 4 1 0 735.53 768.28 19.95 o 5 1 0 4.58 3.10 6.25 o 6 1 0 495.52 517.62 28.21 o -6 2 0 906.22 857.92 28.00 o -5 2 0 2517.37 2494.57 46.60 o -4 2 0 2253.42 2224.65 40.00 o -3 2 0 7899.88 8154.17 92.90 o -2 2 0 5102.69 5213.40 46.41 o -1 2 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