#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016476.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_2016476_Fobs loop_ _publ_author_name 'Plutenko, Maxym V.' 'Moroz, Yurii S.' 'Sliva, Tetyana Yu.' 'Haukka, Matti' 'Fritsky, Igor O.' _publ_section_title ; A square-planar Ni^II^ complex with an asymmetric coordination of a novel polynucleative 2,6-diacetylpyridine bis{[2-(hydroxyimino)propanoyl]hydrazone} ligand ; _journal_coeditor_code FA3126 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m137 _journal_page_last m139 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.652 _cell_angle_beta 84.472 _cell_angle_gamma 73.641 _cell_length_a 7.3076 _cell_length_b 11.1899 _cell_length_c 13.9875 _exptl_crystal_F_000 536.00 _reflns_d_resolution_high 0.8079 _[local]_cod_data_source_file fa3126Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' my100dx in P-1 (SIR2K4, red needle)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 145.00 _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 3 0 0 516.07 525.99 17.68 o 4 0 0 566.63 494.81 22.71 o 5 0 0 1269.14 1205.20 35.36 o 6 0 0 4.33 12.55 15.98 o 7 0 0 216.46 232.46 25.70 o 8 0 0 1.06 10.44 32.84 o -8 1 0 189.90 223.71 30.52 o -7 1 0 88.57 108.19 36.50 o -6 1 0 1013.82 1039.94 71.82 o -5 1 0 941.62 947.16 25.12 o -4 1 0 2020.05 1920.45 57.25 o -3 1 0 467.57 541.41 22.42 o -2 1 0 161.27 95.97 9.92 o -1 1 0 2867.69 3159.93 102.03 o 2 1 0 6316.79 6131.10 494.81 o 3 1 0 881.35 949.22 28.21 o 4 1 0 368.47 382.73 17.88 o 5 1 0 10.60 8.73 10.17 o 6 1 0 182.20 189.46 14.88 o 7 1 0 31.60 40.05 14.33 o 8 1 0 235.54 140.45 28.61 o -8 2 0 52.87 99.75 50.73 o -7 2 0 0.30 17.73 17.39 o -6 2 0 27.78 0.32 20.90 o -5 2 0 150.97 163.43 13.49 o -4 2 0 142.90 103.23 9.44 o -3 2 0 2125.85 2248.20 41.40 o -2 2 0 3571.83 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