#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/25/2232570.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_2232570_Fobs loop_ _publ_author_name 'Sleem, Hisham' 'Georghiou, Paris' 'Dawe, Louise N.' _publ_section_title ; Tetra-\m~2~-acetato-tetraaquadi-\m~3~-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate ; _journal_coeditor_code BR2182 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1880 _journal_page_last m1881 _journal_volume 67 _journal_year 2011 _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 107.632 _cell_angle_gamma 90.000 _cell_length_a 8.3340 _cell_length_b 10.6490 _cell_length_c 16.7630 _exptl_crystal_F_000 1296.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file br2182Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' _HS-31B-U' _shelx_refln_list_code 4 _shelx_f_calc_maximum 574.30 _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 13212.27 12821.22 391.79 o 3 0 0 43131.77 42395.98 2290.93 o 4 0 0 361.14 593.05 101.92 o 5 0 0 1409.73 1598.82 105.79 o 6 0 0 33273.79 32825.52 2259.56 o 7 0 0 95069.40 98323.08 3072.14 o 8 0 0 12276.39 13301.05 410.54 o 9 0 0 8726.09 8402.71 672.42 o 10 0 0 10737.61 10766.03 743.48 o 1 1 0 1934.00 1825.63 41.52 o 2 1 0 40320.30 37219.01 643.39 o 3 1 0 165579.30 155016.47 3305.98 o 4 1 0 97762.88 98063.94 1757.40 o 5 1 0 2993.28 3020.35 120.28 o 6 1 0 3526.04 3901.16 215.64 o 7 1 0 4243.00 3986.79 267.43 o 8 1 0 2072.18 1915.10 130.87 o 9 1 0 7229.05 7470.56 445.68 o 10 1 0 14617.07 16885.34 1228.27 o 0 2 0 16596.46 13291.35 578.82 o 1 2 0 35906.05 34816.52 663.09 o 2 2 0 65366.13 64121.21 1320.92 o 3 2 0 370.00 416.46 28.24 o 4 2 0 43299.68 47186.45 1147.26 o 5 2 0 63687.23 67872.20 2576.61 o 6 2 0 12769.80 12959.38 295.34 o 7 2 0 230.55 214.03 41.50 o 8 2 0 2579.26 2800.94 208.97 o 9 2 0 10807.56 11403.77 408.24 o 10 2 0 319.49 273.60 67.68 o 1 3 0 91407.45 75845.48 1533.23 o 2 3 0 59854.10 53750.28 1587.88 o 3 3 0 57.11 101.34 47.54 o 4 3 0 3145.17 3794.32 152.23 o 5 3 0 19409.89 18371.79 751.33 o 6 3 0 30990.61 32285.99 1309.01 o 7 3 0 4448.00 5072.05 256.66 o 8 3 0 43723.54 20744.72 15372.55 o 9 3 0 17513.06 18621.15 881.40 o 10 3 0 57.21 83.99 50.13 o 0 4 0 1832.06 1677.51 53.73 o 1 4 0 11180.22 9886.48 320.01 o 2 4 0 126.63 251.55 51.32 o 3 4 0 1029.41 1079.20 56.60 o 4 4 0 1302.65 1327.85 63.40 o 5 4 0 6599.92 6407.28 297.12 o 6 4 0 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15432.69 471.99 o 2 8 0 15011.89 13098.22 610.34 o 3 8 0 7695.65 7298.59 379.25 o 4 8 0 2645.08 2636.67 213.85 o 5 8 0 6352.83 6973.85 513.31 o 6 8 0 6858.12 6622.18 300.44 o 7 8 0 29171.27 31766.27 1273.65 o 8 8 0 1669.74 1419.31 156.28 o 1 9 0 317.90 368.51 44.78 o 2 9 0 3981.85 3526.53 298.39 o 3 9 0 29788.20 27908.16 643.23 o 4 9 0 20197.47 20420.49 641.27 o 5 9 0 337.07 423.57 70.08 o 6 9 0 1175.45 1094.56 118.97 o 7 9 0 466.52 586.83 77.67 o 0 10 0 1428.69 1450.15 126.15 o 1 10 0 8298.39 8602.39 441.40 o 2 10 0 20246.51 19914.36 940.35 o 3 10 0 6248.33 6375.95 318.28 o 4 10 0 9595.87 9456.61 446.14 o 5 10 0 19288.08 20039.64 1380.78 o 6 10 0 6405.67 6399.61 423.37 o 7 10 0 168.04 144.72 93.72 o 1 11 0 35965.18 38779.14 812.16 o 2 11 0 21996.91 22391.76 642.37 o 3 11 0 573.16 652.12 77.18 o 4 11 0 33.69 153.83 39.90 o 5 11 0 11222.43 11971.01 525.24 o 6 11 0 11499.74 10818.30 845.50 o 0 12 0 5887.08 6095.69 396.87 o 1 12 0 6215.99 7253.99 430.56 o 2 12 0 4508.41 5146.94 430.55 o 3 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