#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015405.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_2015405_Fobs loop_ _publ_author_name 'Cort\'es, Piedad' 'Atria, Ana Mar\'ia' 'Garland, Mar\'ia Teresa' 'Baggio, Ricardo' _publ_section_title ; Three oxo complexes with a tetranuclear [Cu~4~(\m~2~-Cl)~6~(\m~4~-O)] unit ; _journal_coeditor_code DN3008 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m311 _journal_page_last m314 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 97.707 _cell_angle_beta 113.562 _cell_angle_gamma 112.860 _cell_length_a 12.3940 _cell_length_b 14.8230 _cell_length_c 14.9240 _exptl_crystal_F_000 1112.00 _reflns_d_resolution_high 0.8400 _[local]_cod_data_source_file dn3008Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1 in space group P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 289.10 _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 7470.21 7248.84 72.96 o 2 0 0 1267.28 1105.47 67.13 o 3 0 0 196.85 245.07 65.52 o 4 0 0 1470.63 1566.21 117.79 o 5 0 0 5834.56 5773.23 204.04 o 6 0 0 9722.06 9670.25 251.87 o 7 0 0 778.85 689.12 116.05 o 8 0 0 116.97 174.58 120.29 o 9 0 0 428.37 668.12 159.58 o 10 0 0 52.05 135.11 139.96 o 11 0 0 130.67 425.04 158.52 o -12 1 0 108.92 94.90 131.21 o -11 1 0 256.28 415.05 154.03 o -10 1 0 157.97 125.23 124.70 o -9 1 0 21.77 138.72 131.66 o -8 1 0 518.82 320.39 108.92 o -7 1 0 3320.32 3441.15 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159.12 o -1 8 0 50.81 7.75 54.37 o 0 8 0 1288.77 1217.49 116.19 o 1 8 0 986.55 1043.58 137.15 o 2 8 0 3226.76 2936.64 194.53 o 3 8 0 1668.17 1467.49 148.42 o 4 8 0 533.06 601.62 146.58 o 5 8 0 1549.76 1632.49 191.57 o 6 8 0 4.48 -59.83 90.98 o 7 8 0 766.79 743.03 140.40 o -13 9 0 199.37 152.90 150.40 o -12 9 0 124.66 95.13 122.92 o -11 9 0 28.49 -76.99 108.53 o -10 9 0 14.56 13.18 51.26 o -9 9 0 164.10 153.05 55.76 o -8 9 0 4658.18 4679.54 123.42 o -7 9 0 2364.51 2367.59 90.54 o -6 9 0 4123.67 4153.97 102.18 o -5 9 0 21.53 35.41 38.95 o -4 9 0 356.48 273.39 56.98 o -3 9 0 23.70 -6.60 58.01 o -2 9 0 31.62 -51.28 51.28 o -1 9 0 651.61 759.23 118.03 o 0 9 0 2444.26 2600.30 184.01 o 1 9 0 1877.68 1710.67 155.78 o 2 9 0 554.79 513.90 117.48 o 3 9 0 439.36 497.01 129.49 o 4 9 0 697.15 892.68 169.78 o 5 9 0 0.02 -5.44 99.03 o 6 9 0 1124.07 1079.45 186.56 o -13 10 0 0.47 17.56 132.21 o -12 10 0 4.45 154.40 135.12 o -11 10 0 232.24 309.62 96.43 o -10 10 0 890.08 869.70 109.22 o -9 10 0 1351.52 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