#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/29/2202934.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_2202934_Fobs loop_ _publ_author_name 'Ma, Jian-Fang' 'Yang, Jin' 'Liu, Jing-Fu' _publ_section_title ; A nickel(II) fumarate complex with o-phenanthroline ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m900 _journal_page_last m902 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 86.681 _cell_angle_beta 86.275 _cell_angle_gamma 72.456 _cell_length_a 10.7356 _cell_length_b 10.9030 _cell_length_c 14.8022 _exptl_crystal_F_000 728.00 _reflns_d_resolution_high 0.8117 _[local]_cod_data_source_file tk6133Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' m088 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 183.10 _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 17.09 20.99 2.74 o 3 0 0 2725.24 3241.20 83.87 o 4 0 0 535.82 507.94 26.99 o 5 0 0 200.00 230.68 24.98 o 6 0 0 863.73 775.92 41.40 o 7 0 0 180.38 136.51 28.35 o 8 0 0 4.67 12.87 27.67 o 9 0 0 7.02 -19.84 27.20 o 10 0 0 0.47 5.43 30.75 o 11 0 0 207.77 168.37 41.14 o 12 0 0 6.76 -5.86 35.24 o -12 1 0 34.14 45.63 38.66 o -11 1 0 210.39 197.97 41.91 o -10 1 0 141.08 182.91 38.75 o -9 1 0 34.61 62.31 29.42 o -8 1 0 1.61 -5.26 29.85 o -7 1 0 223.46 237.01 31.56 o -6 1 0 32.77 31.01 24.59 o -5 1 0 1298.32 1392.87 66.16 o -4 1 0 2269.57 2343.23 79.63 o -3 1 0 1276.28 1428.79 61.71 o -2 1 0 15342.95 15580.44 157.17 o -1 1 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40.54 o 3 9 0 13.68 -14.50 32.29 o 4 9 0 500.04 465.56 45.08 o 5 9 0 20.98 12.70 31.69 o 6 9 0 192.60 236.03 35.41 o 7 9 0 35.12 57.86 31.95 o 8 9 0 96.56 121.33 33.44 o 9 9 0 6.68 0.26 29.98 o 10 9 0 4.24 -11.76 31.65 o 11 9 0 146.53 163.50 44.78 o -5 10 0 34.42 2.95 38.70 o -4 10 0 5.39 3.46 31.60 o -3 10 0 99.64 69.80 38.15 o -2 10 0 14.77 43.84 33.66 o -1 10 0 84.66 24.23 23.74 o 0 10 0 10.38 24.54 22.01 o 1 10 0 66.38 36.36 24.40 o 2 10 0 395.10 336.53 42.94 o 3 10 0 94.40 117.31 31.60 o 4 10 0 321.68 297.36 41.53 o 5 10 0 7.78 25.87 30.11 o 6 10 0 31.40 0.26 33.87 o 7 10 0 17.86 22.20 31.31 o 8 10 0 154.75 58.29 40.16 o 9 10 0 0.97 22.92 32.25 o 10 10 0 18.07 53.42 34.13 o 11 10 0 30.36 31.05 36.69 o -3 11 0 49.90 56.37 38.23 o -2 11 0 12.72 2.95 37.21 o -1 11 0 308.80 300.65 33.14 o 0 11 0 1.53 -3.65 25.09 o 1 11 0 20.94 3.22 24.21 o 2 11 0 120.83 75.61 36.86 o 3 11 0 95.68 64.58 34.17 o 4 11 0 89.12 106.87 34.60 o 5 11 0 29.23 43.71 32.12 o 6 11 0 73.19 60.04 35.67 o 7 11 0 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