#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/93/2009352.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_2009352_Fobs loop_ _publ_author_name 'Ramos Silva, M.' 'Matos Beja, A.' 'Paix\~ao, J. A.' 'Alte da Veiga, L.' 'Martin-Gil, J.' _publ_section_title ; L-Argininium tris(acetato-O,O')dioxouranium(III)--acetic acid--water (1/1/1) ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 2039 _journal_page_last 2041 _journal_volume 55 _journal_year 1999 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 92.157 _cell_angle_gamma 90.000 _cell_length_a 9.6020 _cell_length_b 7.6359 _cell_length_c 16.6612 _exptl_crystal_F_000 676.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file sk1332sup2.hkl _[local]_cod_data_source_block arguran #BEGIN Tags that were not found in dictionaries: _shelx_title ' arguran' _shelx_refln_list_code 4 _shelx_f_calc_maximum 209.85 _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' 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 13482.08 14579.71 42.91 o 3 0 0 1258.24 1252.60 32.38 o 4 0 0 27940.74 28676.33 329.13 o 5 0 0 1074.70 1091.00 9.44 o 6 0 0 5374.48 5490.53 161.55 o 7 0 0 2610.74 2612.22 50.79 o 8 0 0 3209.36 3242.06 83.79 o 9 0 0 1721.40 1733.56 31.59 o 10 0 0 1778.68 1792.61 40.89 o 11 0 0 1154.52 1241.67 29.76 o 12 0 0 294.76 257.51 29.67 o 1 1 0 42212.54 40935.86 3726.65 o 2 1 0 10966.11 11576.22 100.61 o 3 1 0 12574.91 12874.26 273.11 o 4 1 0 2908.50 3128.93 25.61 o 5 1 0 14887.94 14680.39 115.59 o 6 1 0 1400.65 1466.60 43.73 o 7 1 0 3421.67 3428.71 25.55 o 8 1 0 1303.05 1349.71 40.58 o 9 1 0 2052.67 2029.55 17.94 o 10 1 0 1332.25 1413.74 28.00 o 11 1 0 479.12 493.39 30.19 o 12 1 0 826.96 828.02 31.76 o 0 2 0 37124.33 30850.43 100.37 o 1 2 0 10234.31 10910.03 429.12 o 2 2 0 4910.35 4985.72 45.13 o 3 2 0 3636.18 3637.91 66.00 o 4 2 0 9086.45 9005.94 179.91 o 5 2 0 2125.40 2206.40 21.45 o 6 2 0 4644.39 4642.53 81.12 o 7 2 0 1616.28 1691.34 14.16 o 8 2 0 2633.48 2643.47 32.07 o 9 2 0 1410.54 1473.92 26.20 o 10 2 0 1271.05 1249.72 30.24 o 11 2 0 1102.29 1119.30 32.83 o 12 2 0 248.68 236.16 30.17 o 1 3 0 17019.25 16669.37 742.23 o 2 3 0 3668.13 3790.99 30.80 o 3 3 0 10497.27 10934.09 233.57 o 4 3 0 965.73 950.22 20.46 o 5 3 0 5776.10 5739.04 71.55 o 6 3 0 2205.24 2200.71 24.04 o 7 3 0 3383.80 3478.69 24.80 o 8 3 0 1752.10 1788.31 16.94 o 9 3 0 1776.56 1691.79 28.25 o 10 3 0 1238.87 1257.89 31.79 o 11 3 0 578.84 535.11 32.29 o 0 4 0 12749.67 12223.35 87.12 o 1 4 0 2255.07 2414.31 17.26 o 2 4 0 13791.05 13871.49 346.93 o 3 4 0 762.08 740.37 9.89 o 4 4 0 6810.87 6957.94 85.01 o 5 4 0 2174.90 2258.65 15.35 o 6 4 0 4709.14 4847.57 39.55 o 7 4 0 1012.72 1028.66 15.18 o 8 4 0 1660.67 1619.93 26.73 o 9 4 0 1015.84 973.97 28.71 o 10 4 0 500.86 518.90 30.19 o 11 4 0 623.64 591.88 30.70 o 1 5 0 7875.15 7785.95 52.33 o 2 5 0 538.09 563.63 29.38 o 3 5 0 7849.70 7892.09 57.61 o 4 5 0 492.88 487.51 11.81 o 5 5 0 3328.20 3370.90 24.24 o 6 5 0 906.24 911.56 15.15 o 7 5 0 2133.77 2110.27 28.28 o 8 5 0 867.99 865.51 27.69 o 9 5 0 708.43 725.42 29.95 o 10 5 0 523.89 580.84 32.79 o 0 6 0 4286.22 4524.09 43.85 o 1 6 0 43.53 58.58 10.81 o 2 6 0 3568.53 3653.28 83.94 o 3 6 0 399.10 404.93 13.03 o 4 6 0 3131.19 3241.04 24.21 o 5 6 0 594.23 596.19 24.24 o 6 6 0 2486.87 2453.66 30.15 o 7 6 0 416.25 453.45 26.14 o 8 6 0 854.30 854.83 30.18 o 9 6 0 421.63 470.35 31.23 o 1 7 0 2432.54 2446.89 31.88 o 2 7 0 64.45 53.47 21.87 o 3 7 0 2011.05 2008.00 27.18 o 4 7 0 260.95 208.68 22.85 o 5 7 0 1211.29 1238.47 29.05 o 6 7 0 369.55 370.25 27.19 o 7 7 0 765.81 772.13 30.68 o 8 7 0 466.25 429.91 28.78 o 0 8 0 1960.23 1994.53 29.35 o 1 8 0 16.19 -69.05 69.05 o 2 8 0 1637.53 1557.17 30.08 o 3 8 0 60.27 30.99 71.80 o 4 8 0 1010.42 1052.26 30.01 o 5 8 0 154.49 6.10 84.88 o 6 8 0 611.92 580.29 31.68 o 7 8 0 324.31 243.74 29.13 o 1 9 0 1038.61 1001.12 32.03 o 2 9 0 48.47 70.82 28.50 o 3 9 0 979.90 912.47 32.67 o 4 9 0 48.94 -19.52 93.66 o 5 9 0 491.71 459.24 30.30 o -12 0 1 942.92 882.89 31.77 o -11 0 1 3.25 62.41 79.04 o -10 0 1 1766.80 1824.71 29.91 o -9 0 1 320.02 333.46 14.65 o -8 0 1 3608.76 3520.87 55.85 o -7 0 1 596.84 576.96 18.67 o -6 0 1 7662.59 7540.18 52.05 o -5 0 1 3791.82 3619.16 84.58 o -4 0 1 22178.31 22511.53 132.92 o -3 0 1 1822.67 1759.68 16.51 o -2 0 1 6200.90 6140.36 114.28 o 2 0 1 842.14 769.32 24.77 o 3 0 1 15589.59 16412.21 245.44 o 4 0 1 3669.12 3794.24 31.36 o 5 0 1 21059.85 21366.15 119.17 o 6 0 1 8.62 33.64 7.93 o 7 0 1 4409.88 4203.92 145.29 o 8 0 1 503.50 543.92 33.34 o 9 0 1 3178.51 3247.82 77.97 o 10 0 1 250.31 260.83 24.62 o 11 0 1 1060.67 1074.64 31.20 o 12 0 1 196.72 182.43 29.45 o -12 1 1 8.77 7.79 28.61 o -11 1 1 1700.47 1717.55 33.92 o -10 1 1 167.11 165.94 24.43 o -9 1 1 2912.53 3002.63 51.13 o -8 1 1 558.13 583.26 35.77 o -7 1 1 5273.52 5075.64 36.31 o -6 1 1 1310.54 1266.94 32.54 o -5 1 1 6787.66 6633.09 44.85 o -4 1 1 8929.22 8952.44 129.97 o -3 1 1 10157.34 10196.67 99.96 o -2 1 1 21796.75 22412.39 129.41 o -1 1 1 11983.39 12221.51 102.36 o 1 1 1 2913.39 3166.11 18.93 o 2 1 1 10859.95 10992.88 39.25 o 3 1 1 1577.61 1567.83 10.93 o 4 1 1 25256.08 26050.38 81.51 o 5 1 1 338.51 368.49 19.74 o 6 1 1 11310.61 11515.41 196.70 o 7 1 1 214.91 220.99 9.80 o 8 1 1 5161.86 5200.39 164.77 o 9 1 1 338.88 349.87 24.95 o 10 1 1 2327.15 2321.05 32.31 o 11 1 1 104.68 61.78 81.87 o 12 1 1 542.71 516.53 30.95 o -12 2 1 1019.40 943.96 32.31 o -11 2 1 84.77 36.41 85.30 o -10 2 1 2460.31 2448.78 33.44 o -9 2 1 443.58 464.75 23.73 o -8 2 1 3088.69 3099.80 27.42 o -7 2 1 872.68 858.69 12.73 o -6 2 1 5244.45 5192.62 41.40 o -5 2 1 4030.65 3968.43 70.28 o -4 2 1 8443.86 8571.75 104.69 o -3 2 1 5092.77 4816.37 33.57 o -2 2 1 168.72 175.13 7.30 o -1 2 1 25049.09 23893.41 89.68 o 0 2 1 10200.07 10199.18 41.81 o 1 2 1 22936.15 22995.13 203.29 o 2 2 1 515.65 502.48 12.56 o 3 2 1 14367.88 14312.15 57.95 o 4 2 1 2959.28 3021.49 48.05 o 5 2 1 15751.98 16100.98 115.84 o 6 2 1 49.09 75.64 11.35 o 7 2 1 5675.14 5572.55 128.41 o 8 2 1 130.36 146.95 12.56 o 9 2 1 2987.03 3040.43 32.37 o 10 2 1 399.70 413.72 27.15 o 11 2 1 1064.30 1081.90 32.21 o 12 2 1 288.72 345.55 30.43 o -11 3 1 1216.04 1211.74 34.39 o -10 3 1 144.28 173.72 27.03 o -9 3 1 2059.80 2190.32 30.08 o -8 3 1 288.51 308.57 15.72 o -7 3 1 2386.36 2479.31 17.99 o -6 3 1 1611.79 1615.54 13.22 o -5 3 1 5875.31 6012.12 160.21 o -4 3 1 5725.11 5784.02 83.92 o -3 3 1 6831.26 7031.97 91.10 o -2 3 1 5441.13 5377.33 46.22 o -1 3 1 8094.04 8588.74 56.57 o 0 3 1 10916.87 10922.48 118.72 o 1 3 1 2471.03 2644.49 31.68 o 2 3 1 9275.82 8993.07 69.89 o 3 3 1 1897.16 1909.98 43.55 o 4 3 1 10619.11 10580.55 236.76 o 5 3 1 298.72 307.65 8.95 o 6 3 1 7348.38 7406.49 130.08 o 7 3 1 86.94 72.12 33.59 o 8 3 1 3346.36 3360.23 95.34 o 9 3 1 164.03 173.34 23.60 o 10 3 1 1420.31 1467.88 31.23 o 11 3 1 205.23 131.84 31.29 o -11 4 1 6.20 12.99 95.17 o -10 4 1 1308.34 1305.37 33.35 o -9 4 1 203.46 222.65 26.02 o -8 4 1 1537.92 1544.72 27.70 o -7 4 1 520.74 527.59 13.90 o -6 4 1 3673.32 3642.20 58.15 o -5 4 1 2313.20 2382.39 45.79 o -4 4 1 6861.31 6875.39 61.80 o -3 4 1 5137.62 5202.08 37.47 o -2 4 1 4728.39 4842.37 34.79 o -1 4 1 9324.00 9458.63 201.55 o 0 4 1 8237.45 8121.39 72.65 o 1 4 1 12342.41 12933.31 678.43 o 2 4 1 2376.49 2427.16 17.32 o 3 4 1 6754.36 6461.90 97.26 o 4 4 1 532.41 541.93 9.90 o 5 4 1 6843.58 6780.69 89.91 o 6 4 1 90.72 133.45 52.83 o 7 4 1 4081.67 3998.07 93.22 o 8 4 1 67.27 -36.15 65.81 o 9 4 1 2082.10 2055.29 32.29 o 10 4 1 92.16 74.69 28.07 o 11 4 1 834.52 749.11 32.01 o -10 5 1 57.11 100.38 30.67 o -9 5 1 1096.48 1161.03 31.28 o -8 5 1 332.86 354.85 26.32 o -7 5 1 2015.40 2043.52 28.27 o -6 5 1 549.96 557.61 14.26 o -5 5 1 3211.92 3247.81 22.03 o -4 5 1 2383.34 2352.11 45.15 o -3 5 1 3060.54 3028.42 21.54 o -2 5 1 4978.19 5119.18 157.80 o -1 5 1 4249.92 4353.03 97.84 o 0 5 1 5155.65 5152.83 39.94 o 1 5 1 1665.76 1686.93 12.48 o 2 5 1 8058.65 8266.28 53.57 o 3 5 1 785.91 756.65 10.76 o 4 5 1 5615.43 5557.34 108.90 o 5 5 1 75.90 84.13 11.61 o 6 5 1 3140.49 3115.61 34.16 o 7 5 1 89.17 105.00 22.12 o 8 5 1 1837.80 1834.47 31.26 o 9 5 1 130.55 106.99 27.64 o 10 5 1 872.54 805.52 29.96 o -9 6 1 60.37 57.73 30.67 o -8 6 1 965.04 935.20 31.41 o -7 6 1 157.38 151.57 25.70 o -6 6 1 1245.02 1230.67 26.52 o -5 6 1 582.12 621.60 15.27 o -4 6 1 1254.79 1328.42 16.39 o -3 6 1 2651.31 2708.10 39.45 o -2 6 1 1859.78 1916.45 64.69 o -1 6 1 1853.15 1947.95 14.80 o 0 6 1 1146.94 1198.56 29.28 o 1 6 1 3879.21 3915.66 29.59 o 2 6 1 736.85 739.39 12.96 o 3 6 1 2245.05 2323.06 17.01 o 4 6 1 45.37 74.17 12.28 o 5 6 1 2595.91 2519.22 68.82 o 6 6 1 7.56 46.83 63.42 o 7 6 1 2017.36 2049.95 32.28 o 8 6 1 56.78 -79.88 79.88 o 9 6 1 845.54 836.67 33.14 o -8 7 1 140.38 98.80 28.07 o -7 7 1 1085.80 1105.75 32.00 o -6 7 1 191.28 200.05 26.45 o -5 7 1 1047.05 1042.34 28.06 o -4 7 1 663.90 674.16 24.57 o -3 7 1 974.70 978.41 25.13 o -2 7 1 1472.12 1589.59 43.70 o -1 7 1 864.68 896.41 14.80 o 0 7 1 1199.90 1251.16 15.74 o 1 7 1 335.74 345.82 14.44 o 2 7 1 2845.72 3004.70 98.59 o 3 7 1 315.45 349.12 21.63 o 4 7 1 1743.94 1706.16 27.31 o 5 7 1 28.12 20.38 67.97 o 6 7 1 1480.04 1494.82 30.65 o 7 7 1 0.31 -15.08 80.85 o 8 7 1 676.89 637.17 29.66 o -7 8 1 234.40 -7.72 100.77 o -6 8 1 933.37 937.91 33.29 o -5 8 1 255.31 255.05 29.02 o -4 8 1 947.48 916.61 30.07 o -3 8 1 638.77 611.60 28.00 o -2 8 1 706.35 691.69 28.22 o -1 8 1 775.37 854.43 27.72 o 0 8 1 410.75 427.65 17.64 o 1 8 1 1276.06 1239.80 27.89 o 2 8 1 213.81 239.73 24.54 o 3 8 1 1544.95 1512.82 30.58 o 4 8 1 91.76 108.29 25.73 o 5 8 1 1022.37 1024.20 30.66 o 6 8 1 33.99 15.37 29.73 o 7 8 1 829.06 708.26 31.18 o -5 9 1 386.68 298.39 30.04 o -4 9 1 270.06 215.85 28.51 o -3 9 1 415.71 462.11 31.41 o -2 9 1 535.08 534.60 31.35 o -1 9 1 340.67 335.81 30.14 o 0 9 1 613.07 625.03 21.30 o 1 9 1 232.39 196.31 28.33 o 2 9 1 781.19 798.98 30.35 o 3 9 1 85.08 52.93 84.50 o 4 9 1 572.11 507.50 28.68 o 5 9 1 6.01 21.93 93.15 o -12 0 2 182.00 258.72 28.98 o -11 0 2 1581.46 1597.04 33.84 o -10 0 2 330.78 345.93 24.80 o -9 0 2 2736.29 2710.30 19.84 o -8 0 2 10.37 5.13 34.85 o -7 0 2 4786.25 4855.93 76.69 o -6 0 2 419.20 417.31 14.81 o -5 0 2 11200.94 11414.44 65.54 o -4 0 2 1225.29 1258.72 13.58 o -3 0 2 23566.35 22778.61 204.47 o -2 0 2 700.55 669.05 6.26 o -1 0 2 23370.78 25234.19 274.52 o 1 0 2 22294.02 22479.05 448.08 o 2 0 2 16611.91 17478.01 337.56 o 3 0 2 7476.51 7529.94 243.90 o 4 0 2 16898.86 17948.24 180.44 o 5 0 2 5879.43 5953.37 126.32 o 6 0 2 8518.65 8948.13 237.40 o 7 0 2 1836.11 1761.69 59.52 o 8 0 2 3944.28 3842.80 60.54 o 9 0 2 967.48 993.41 16.34 o 10 0 2 1750.70 1748.93 30.56 o 11 0 2 10.35 16.92 27.38 o 12 0 2 886.97 829.19 30.93 o -12 1 2 768.42 725.83 31.94 o -11 1 2 305.04 340.59 28.63 o -10 1 2 1976.47 1988.84 31.23 o -9 1 2 174.39 173.21 14.26 o -8 1 2 4238.89 4261.23 30.63 o -7 1 2 54.91 49.87 14.47 o -6 1 2 6924.35 6702.73 201.17 o -5 1 2 360.66 326.97 8.22 o -4 1 2 11261.74 11121.31 196.25 o -3 1 2 135.67 155.43 6.23 o -2 1 2 17911.20 17766.71 851.24 o -1 1 2 4009.30 4071.36 47.23 o 0 1 2 32275.44 34189.34 4469.74 o 1 1 2 4876.07 4988.22 24.46 o 2 1 2 13656.19 13807.82 96.40 o 3 1 2 5206.40 5304.17 64.43 o 4 1 2 9743.24 10047.63 128.39 o 5 1 2 8936.88 8892.94 214.60 o 6 1 2 1928.13 1880.11 94.60 o 7 1 2 3222.20 3288.41 63.00 o 8 1 2 894.06 864.11 28.84 o 9 1 2 4490.31 4385.96 90.30 o 10 1 2 155.70 148.47 25.41 o 11 1 2 1365.46 1494.79 32.96 o 12 1 2 38.11 45.32 28.39 o -12 2 2 353.77 365.80 31.37 o -11 2 2 1070.78 1052.02 32.32 o -10 2 2 340.88 340.66 26.90 o -9 2 2 2969.21 3041.81 31.31 o -8 2 2 92.88 104.30 12.92 o -7 2 2 3972.55 4000.00 39.38 o -6 2 2 75.29 75.46 9.58 o -5 2 2 9588.21 9394.84 63.74 o -4 2 2 445.80 473.31 8.55 o -3 2 2 6393.35 6061.39 56.45 o -2 2 2 2220.62 2150.05 14.95 o -1 2 2 14640.82 14423.17 56.38 o 0 2 2 996.44 984.25 30.33 o 1 2 2 16204.37 16613.08 292.14 o 2 2 2 4404.17 4419.21 30.57 o 3 2 2 5559.30 5484.40 58.24 o 4 2 2 5074.80 4954.21 124.95 o 5 2 2 4120.40 4127.90 47.65 o 6 2 2 4104.00 4094.40 126.75 o 7 2 2 696.10 675.86 19.43 o 8 2 2 4780.91 4668.43 33.95 o 9 2 2 584.28 604.95 24.10 o 10 2 2 2367.60 2389.71 33.03 o 11 2 2 45.13 49.32 82.19 o 12 2 2 918.20 876.34 32.56 o -11 3 2 296.07 315.27 30.68 o -10 3 2 1385.15 1425.31 31.69 o -9 3 2 155.35 187.66 23.21 o -8 3 2 3895.74 4060.89 62.44 o -7 3 2 214.88 201.88 12.54 o -6 3 2 4321.59 4376.03 103.25 o -5 3 2 380.00 410.46 9.79 o -4 3 2 5131.36 5196.28 36.83 o -3 3 2 1681.17 1710.13 11.83 o -2 3 2 9948.42 9856.08 88.52 o -1 3 2 814.18 853.54 28.06 o 0 3 2 10450.77 10646.88 113.93 o 1 3 2 4953.62 5163.95 34.48 o 2 3 2 4838.46 4694.49 61.79 o 3 3 2 7295.20 7661.61 137.00 o 4 3 2 4392.42 4351.19 115.84 o 5 3 2 5812.42 5906.14 128.91 o 6 3 2 2243.50 2249.74 35.26 o 7 3 2 3575.51 3630.05 101.87 o 8 3 2 560.19 611.08 14.29 o 9 3 2 2831.62 2863.33 32.09 o 10 3 2 82.88 31.39 76.71 o 11 3 2 1142.20 1157.06 33.95 o -11 4 2 637.55 647.59 30.70 o -10 4 2 262.28 272.16 29.20 o -9 4 2 2112.23 2185.63 32.83 o -8 4 2 237.11 199.29 22.67 o -7 4 2 2555.50 2602.36 49.39 o -6 4 2 96.09 102.67 12.52 o -5 4 2 5647.05 5794.28 75.88 o -4 4 2 250.85 271.46 10.39 o -3 4 2 4568.11 4722.49 84.26 o -2 4 2 1727.55 1823.41 29.68 o -1 4 2 6971.18 7120.49 80.07 o 0 4 2 1705.88 1711.21 12.02 o 1 4 2 8628.06 8832.13 54.38 o 2 4 2 7489.64 7557.79 50.80 o 3 4 2 5393.51 5431.00 177.98 o 4 4 2 3477.59 3553.56 55.01 o 5 4 2 3142.99 3165.20 43.74 o 6 4 2 2757.75 2721.39 51.04 o 7 4 2 773.78 792.51 14.26 o 8 4 2 2315.97 2276.92 28.98 o 9 4 2 98.65 96.63 25.91 o 10 4 2 951.70 951.62 31.45 o 11 4 2 13.05 -97.12 97.12 o -10 5 2 892.88 878.16 30.21 o -9 5 2 190.45 177.67 27.93 o -8 5 2 1835.98 1867.53 31.73 o -7 5 2 27.94 8.44 22.12 o -6 5 2 3065.72 3177.76 22.77 o -5 5 2 2.51 -13.61 37.19 o -4 5 2 3713.18 3848.79 27.38 o -3 5 2 900.63 970.03 22.52 o -2 5 2 6202.91 6294.65 216.71 o -1 5 2 489.34 492.43 10.20 o 0 5 2 6019.68 6039.36 42.81 o 1 5 2 2399.20 2439.47 43.70 o 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