#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/25/2012598.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_2012598_Fobs loop_ _publ_author_name 'Ercan, Filiz' 'Atakol, Orhan' 'Ar\?ic\?i, Cengiz' 'Svoboda, Ingrid' 'Fuess, Hartmut' _publ_section_title ; Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m193 _journal_page_last m196 _journal_volume 58 _journal_year 2002 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.240 _cell_angle_gamma 90.000 _cell_length_a 10.9420 _cell_length_b 10.2230 _cell_length_c 21.0920 _exptl_crystal_F_000 1074.00 _reflns_d_resolution_high 0.8113 _[local]_cod_data_source_file ob1055Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' OB1055' _shelx_refln_list_code 4 _shelx_f_calc_maximum 309.72 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, 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 2 0 0 5887.73 9373.22 73.97 o 4 0 0 19009.30 17891.43 152.20 o 6 0 0 2743.46 1484.37 28.92 o 8 0 0 2160.00 2173.94 42.51 o 10 0 0 4254.19 3874.05 114.14 o 12 0 0 18.04 -14.05 105.09 o 1 1 0 6107.17 2647.46 102.63 o 2 1 0 7535.67 12498.26 202.84 o 3 1 0 3568.54 4025.79 63.39 o 4 1 0 10708.45 12127.04 118.64 o 5 1 0 21601.52 18650.93 163.33 o 6 1 0 158.01 66.15 27.33 o 7 1 0 8.69 -16.30 32.50 o 8 1 0 3.73 15.38 24.23 o 9 1 0 630.40 719.48 33.79 o 10 1 0 36.21 49.66 33.10 o 11 1 0 1581.70 1471.72 50.09 o 12 1 0 56.08 -14.05 35.09 o 13 1 0 7.81 103.19 111.12 o 0 2 0 17154.38 10774.99 114.05 o 1 2 0 10641.28 8268.80 295.60 o 2 2 0 2919.12 2959.04 54.52 o 3 2 0 1007.66 1131.73 23.26 o 4 2 0 1188.78 954.65 19.66 o 5 2 0 259.86 267.89 13.91 o 6 2 0 10029.17 9515.02 222.07 o 7 2 0 255.66 67.86 19.78 o 8 2 0 67.43 52.17 54.87 o 9 2 0 708.08 825.86 39.83 o 10 2 0 2116.92 2168.62 68.28 o 11 2 0 688.09 758.88 45.43 o 12 2 0 65.85 7.24 43.45 o 13 2 0 62.36 8.10 129.91 o 1 3 0 228.41 455.78 20.43 o 2 3 0 10536.36 7543.07 137.37 o 3 3 0 23.31 65.63 11.01 o 4 3 0 9997.16 10619.67 122.66 o 5 3 0 4500.00 4339.34 89.24 o 6 3 0 6627.80 6347.44 114.89 o 7 3 0 261.93 305.31 42.20 o 8 3 0 508.18 797.02 25.60 o 9 3 0 409.98 415.60 36.38 o 10 3 0 20.85 35.34 35.34 o 11 3 0 199.10 203.62 39.40 o 12 3 0 523.31 482.50 44.57 o 0 4 0 4769.10 6563.87 126.64 o 1 4 0 29812.92 28885.72 189.04 o 2 4 0 489.31 438.53 16.29 o 3 4 0 197.92 195.74 24.27 o 4 4 0 2996.37 3835.80 79.09 o 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