#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/43/2214354.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_2214354_Fobs loop_ _publ_author_name 'Cao, Zi-Ying' 'Deng, Zhao-Peng' 'Gao, Shan' _publ_section_title ; [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato-\k^3^S,N^1^,O](pyridine-\kN)nickel(II) ; _journal_coeditor_code NG2284 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1961 _journal_page_last m1962 _journal_volume 63 _journal_year 2007 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 95.643 _cell_angle_gamma 90.000 _cell_length_a 5.7294 _cell_length_b 12.9244 _cell_length_c 23.6829 _exptl_crystal_F_000 840.00 _reflns_d_resolution_high 0.7705 _[local]_cod_data_source_file ng2284Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in Pc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 216.57 _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+1/2' 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 0 0 -30 110.88 13.73 32.11 o 1 0 -30 46.35 -5.84 29.73 o 2 0 -30 10.84 30.16 59.89 o 0 1 -30 161.53 17.48 36.09 o 1 1 -30 5.84 -4.76 21.11 o 2 1 -30 93.09 66.12 49.35 o 0 2 -30 19.33 5.22 25.91 o 1 2 -30 4.68 -6.48 24.65 o 0 3 -30 51.70 68.91 47.68 o 1 3 -30 32.53 67.16 31.72 o -1 1 -29 228.80 200.31 130.27 o 0 1 -29 131.89 17.70 29.51 o 1 1 -29 13.08 27.75 50.32 o 2 1 -29 106.73 84.64 79.30 o 3 1 -29 8.26 3.46 39.30 o -1 2 -29 215.13 72.96 73.68 o 0 2 -29 91.30 12.04 26.96 o 1 2 -29 18.91 24.21 34.54 o 2 2 -29 38.93 18.13 38.81 o -1 3 -29 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