#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/30/2213056.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_2213056_Fobs loop_ _publ_author_name 'Clegg, William' 'Harrington, Ross W.' _publ_section_title ; Tetrakis(1,10-phenanthrolinium) hexachloridoeuropate(III) chloride ; _journal_coeditor_code WN2129 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1152 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 111.197 _cell_angle_gamma 90.000 _cell_length_a 17.6308 _cell_length_b 11.2069 _cell_length_c 24.0726 _exptl_crystal_F_000 2248.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file wn2129Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' wc85 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 738.17 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 57113.87 59377.93 1042.33 o 3 0 0 82898.16 83001.63 2678.38 o 4 0 0 40458.79 40329.94 705.05 o 5 0 0 3954.39 3826.18 141.17 o 6 0 0 4581.88 4634.34 164.90 o 7 0 0 39781.30 40745.68 1533.70 o 8 0 0 17521.36 17968.84 414.97 o 9 0 0 54015.09 50631.05 932.81 o 10 0 0 49044.54 48036.74 1597.25 o 11 0 0 11091.50 11358.89 343.74 o 12 0 0 8910.78 8855.17 306.42 o 13 0 0 345.79 276.50 142.82 o 14 0 0 5066.26 4993.82 244.96 o 15 0 0 3533.65 3668.29 255.26 o 16 0 0 3199.21 3661.53 438.49 o 17 0 0 3328.76 2997.11 414.57 o 18 0 0 2111.90 2675.48 549.79 o 19 0 0 3460.92 3283.69 492.47 o 1 1 0 1340.40 1254.47 32.87 o 2 1 0 4865.01 5069.98 86.06 o 3 1 0 1740.82 1823.91 58.15 o 4 1 0 4032.71 4292.19 96.21 o 5 1 0 15355.16 15741.92 234.41 o 6 1 0 1753.73 2238.98 85.14 o 7 1 0 6464.76 6737.80 152.01 o 8 1 0 121.39 156.30 62.67 o 9 1 0 3596.92 3869.74 129.29 o 10 1 0 10704.28 10983.86 228.73 o 11 1 0 24.76 28.81 60.98 o 12 1 0 2002.85 2448.05 152.09 o 13 1 0 615.44 693.45 101.36 o 14 1 0 4.32 35.22 87.23 o 15 1 0 1507.04 2062.81 179.73 o 16 1 0 3533.45 4033.11 329.11 o 17 1 0 1365.81 1921.56 310.26 o 18 1 0 402.50 814.78 238.35 o 19 1 0 61.62 536.95 219.87 o 0 2 0 121485.35 119569.92 2547.80 o 1 2 0 13259.27 13432.26 183.30 o 2 2 0 20577.82 19964.70 259.65 o 3 2 0 3976.50 3793.32 89.08 o 4 2 0 98.86 246.24 49.00 o 5 2 0 7852.09 7706.98 149.29 o 6 2 0 2271.38 2292.85 90.12 o 7 2 0 99568.55 98283.84 1141.84 o 8 2 0 4080.17 4455.02 130.18 o 9 2 0 51508.29 49527.34 704.74 o 10 2 0 14625.46 15067.21 277.76 o 11 2 0 13629.35 13943.59 274.70 o 12 2 0 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