#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/67/2016710.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_2016710_Fobs loop_ _publ_author_name 'Liu, Chun-Sen' 'Guo, Liang-Qi' 'Yan, Li-Fen' 'Wang, Jun-Jie' _publ_section_title ; Tetrakis(\m-anthracene-9-carboxylato)-\k^4^O:O';\k^3^O,O':O';\k^3^O:O,O'-bis[(anthracene-9-carboxylato-\k^2^O,O')(1,10-phenanthroline-\k^2^N,N')erbium(III)]: effects of a noncoordinating anthracene ligand ring system on the final structure of a coordination complex ; _journal_coeditor_code GD3217 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m292 _journal_page_last m295 _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 110.935 _cell_angle_beta 103.176 _cell_angle_gamma 106.667 _cell_length_a 12.4951 _cell_length_b 13.3839 _cell_length_c 14.9579 _exptl_crystal_F_000 1014.00 _reflns_d_resolution_high 0.8407 _[local]_cod_data_source_file gd3217Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 367.73 _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 2 0 0 606.96 656.44 16.00 o 3 0 0 2144.25 2078.58 48.53 o 4 0 0 6926.15 7232.06 130.38 o 5 0 0 3188.24 3137.90 61.89 o 6 0 0 9628.87 9613.49 137.32 o 7 0 0 1691.09 1744.66 43.51 o 8 0 0 1205.46 1138.10 33.79 o 9 0 0 7505.32 7273.43 114.48 o 10 0 0 1836.53 1639.81 86.69 o 11 0 0 72.04 58.15 28.44 o 12 0 0 2638.70 2694.82 80.06 o 13 0 0 66.02 63.64 43.45 o 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7325.73 84.24 o -1 3 0 6367.54 6587.33 63.03 o 0 3 0 4762.01 5142.63 50.04 o 2 3 0 13152.79 13333.75 139.96 o 3 3 0 1.85 -3.47 7.12 o 4 3 0 6851.27 6967.24 87.18 o 5 3 0 83.04 50.54 10.44 o 6 3 0 517.46 542.59 20.40 o 7 3 0 4481.15 4339.62 87.99 o 8 3 0 2525.71 2541.97 84.11 o 9 3 0 19.88 18.98 27.39 o 10 3 0 540.73 554.86 116.49 o 11 3 0 791.52 797.23 50.02 o -14 4 0 893.25 817.01 64.06 o -13 4 0 1474.21 1483.50 52.96 o -12 4 0 331.78 314.47 30.25 o -11 4 0 3760.49 3606.35 74.40 o -10 4 0 3037.42 3075.54 64.43 o -9 4 0 19.58 25.22 17.09 o -8 4 0 5526.69 5437.67 64.32 o -7 4 0 5820.81 5826.23 70.39 o -6 4 0 6971.39 7231.68 71.97 o -5 4 0 34180.53 35332.16 346.26 o -4 4 0 15690.31 15846.67 172.56 o -3 4 0 2829.32 2689.25 30.35 o -2 4 0 15078.05 15020.54 137.13 o -1 4 0 7747.44 7646.44 79.54 o 0 4 0 232.26 230.04 11.73 o 1 4 0 5533.50 5408.91 62.13 o 2 4 0 11771.88 12175.23 108.17 o 3 4 0 1552.97 1526.94 28.64 o 4 4 0 32438.36 33651.93 357.60 o 5 4 0 4162.66 4158.96 67.89 o 6 4 0 38.28 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8011.59 8150.70 87.61 o -2 7 0 993.92 956.92 24.02 o -1 7 0 1488.56 1388.24 23.31 o 0 7 0 6599.46 6523.01 72.09 o 1 7 0 98.58 100.31 12.31 o 2 7 0 1159.13 1034.14 25.57 o 3 7 0 2734.80 2631.44 71.37 o 4 7 0 1011.26 932.12 40.87 o 5 7 0 308.49 423.37 37.60 o 6 7 0 3337.48 3294.50 108.90 o 7 7 0 97.31 89.40 39.83 o 8 7 0 795.85 773.28 61.27 o -14 8 0 96.69 48.79 40.61 o -13 8 0 1695.03 1623.88 58.71 o -12 8 0 1738.28 1807.04 61.77 o -11 8 0 30.08 16.28 19.96 o -10 8 0 2488.72 2646.63 52.26 o -9 8 0 2252.38 2207.53 41.79 o -8 8 0 179.14 155.96 16.66 o -7 8 0 3462.55 3378.60 54.92 o -6 8 0 3670.85 3715.19 45.87 o -5 8 0 1.54 -1.54 11.80 o -4 8 0 5103.63 5067.35 61.31 o -3 8 0 7512.16 7581.77 95.92 o -2 8 0 6.65 11.51 10.65 o -1 8 0 5919.52 5843.02 67.87 o 0 8 0 5265.42 5156.39 66.04 o 1 8 0 193.72 206.00 17.48 o 2 8 0 3667.57 3533.03 98.28 o 3 8 0 1112.88 1032.78 54.59 o 4 8 0 0.41 4.60 32.59 o 5 8 0 1739.74 1869.22 80.07 o 6 8 0 2490.27 2389.06 95.67 o 7 8 0 95.95 89.12 46.09 o 8 8 0 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