#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/66/2226659.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_2226659_Fobs loop_ _publ_author_name 'Yu, Youzhu' 'Guo, Yuhua' 'Lv, Lei' 'Li, Dacheng' _publ_section_title ; Tetrakis{\m~3~-2-[(2-hydroxyethyl)amino]ethanolato}tetrakis[chloridonickel(II)] methanol solvate ; _journal_coeditor_code RZ2468 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m861 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.741 _cell_angle_beta 91.845 _cell_angle_gamma 111.283 _cell_length_a 10.8244 _cell_length_b 11.5609 _cell_length_c 13.2797 _exptl_crystal_F_000 852.00 _reflns_d_resolution_high 0.8403 _[local]_cod_data_source_file rz2468Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 100317c in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 271.94 _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 28279.88 29980.72 588.32 o 2 0 0 8116.04 9173.62 199.94 o 3 0 0 7051.83 6939.27 116.58 o 4 0 0 7638.65 7307.18 127.89 o 5 0 0 1648.73 1490.71 46.19 o 6 0 0 1430.44 1415.20 48.85 o 7 0 0 97.23 50.35 32.48 o 8 0 0 25.93 13.96 32.24 o 9 0 0 625.48 701.59 84.38 o 10 0 0 582.97 588.97 88.22 o 11 0 0 1440.36 1355.20 114.58 o -12 1 0 42.67 20.73 52.23 o -11 1 0 70.71 19.42 46.93 o -10 1 0 48.31 22.77 40.89 o -9 1 0 2230.13 2110.50 120.78 o -8 1 0 3402.73 3243.72 142.24 o -7 1 0 1650.40 1398.70 84.22 o -6 1 0 212.83 218.58 20.62 o -5 1 0 3593.77 3933.40 128.21 o -4 1 0 8.16 -1.76 7.46 o -2 1 0 372.22 504.02 26.11 o -1 1 0 20292.71 20755.36 413.76 o 0 1 0 6190.87 6844.90 151.39 o 1 1 0 16993.07 17091.54 249.49 o 2 1 0 1097.29 917.36 36.40 o 3 1 0 2422.06 2477.38 58.30 o 4 1 0 220.62 211.93 21.71 o 5 1 0 35.59 27.68 15.55 o 6 1 0 1152.71 1082.28 46.78 o 7 1 0 2039.63 1968.44 67.96 o 8 1 0 843.73 725.91 74.75 o 9 1 0 549.78 457.99 73.37 o 10 1 0 8.12 -23.75 43.25 o 11 1 0 2440.46 2478.88 155.06 o -12 2 0 237.54 218.96 72.88 o -11 2 0 693.26 560.98 84.79 o -10 2 0 168.63 141.18 51.58 o -9 2 0 230.85 179.05 49.94 o -8 2 0 2445.27 2486.88 119.64 o -7 2 0 514.76 503.61 51.33 o -6 2 0 220.28 134.25 31.50 o -5 2 0 25.87 -5.47 18.36 o -4 2 0 499.78 509.98 35.83 o -3 2 0 9066.73 9690.37 214.88 o -2 2 0 5336.14 6259.03 106.99 o -1 2 0 3474.61 3570.07 80.96 o 0 2 0 275.67 428.99 27.46 o 1 2 0 3913.34 4301.09 79.35 o 2 2 0 1413.08 1454.44 42.20 o 3 2 0 432.81 423.77 53.94 o 4 2 0 5638.53 5513.78 115.01 o 5 2 0 556.18 556.12 45.42 o 6 2 0 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