#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:24:24 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181165 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/44/2224432.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_2224432_Fobs loop_ _publ_author_name 'Gao, Zhongjun' 'Li, Fahui' _publ_section_title ; Tetrakis(\m~2~-5-methylpyrazine-2-carboxylato)-1:2\k^3^N^1^,O:O;2:3\k^3^O:N^1^,O;1:2\k^2^O:O';3:4\k^2^O:O'-octaoctyl-1\k^2^C,2\k^2^C,3\k^2^C,4\k^2^C-di-\m~3~-oxido-1:2:3\k^3^O;1:3:4\k^3^O-tetratin(IV) ; _journal_coeditor_code SI2220 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1579 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 76.623 _cell_angle_beta 73.361 _cell_angle_gamma 86.522 _cell_length_a 12.4060 _cell_length_b 13.2820 _cell_length_c 16.2230 _exptl_crystal_F_000 1020.00 _reflns_d_resolution_high 0.8406 _cod_data_source_file si2220Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 060606f in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 358.27 _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 12843.14 14300.60 698.60 o 2 0 0 8194.42 8728.62 304.35 o 3 0 0 2092.24 3020.65 120.92 o 4 0 0 5770.58 5576.54 211.77 o 5 0 0 176.70 129.45 27.38 o 6 0 0 3676.38 4017.32 177.32 o 7 0 0 276.66 125.94 77.49 o 8 0 0 47.75 -36.31 35.76 o 9 0 0 3558.00 3963.75 198.33 o 10 0 0 4920.13 5519.71 408.00 o 11 0 0 126.71 -73.77 101.77 o 12 0 0 22.24 -109.19 127.60 o 13 0 0 1473.28 2089.47 293.39 o 14 0 0 1192.83 1578.78 282.10 o -14 1 0 357.58 410.30 199.36 o -13 1 0 745.27 1074.08 227.65 o -12 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