#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:43:51 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180801 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/32/2013253.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_2013253_Fobs loop_ _publ_author_name 'Salmon, Lionel' 'Thu\'ery, Pierre' 'Ephritikhine, Michel' _publ_section_title ; A bis(acetylacetonato)uranium(IV) complex of the Schiff base N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m246 _journal_page_last m248 _journal_volume 59 _journal_year 2003 _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 91.249 _cell_angle_gamma 90.000 _cell_length_a 11.9744 _cell_length_b 15.7475 _cell_length_c 16.7330 _exptl_crystal_F_000 1640.00 _reflns_d_resolution_high 0.8202 _cod_data_source_file dn1021Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 'I in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 469.91 _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 6080.57 6424.58 472.81 o 3 0 0 17884.75 17913.54 648.80 o 4 0 0 30168.66 32376.81 1278.42 o 5 0 0 47002.34 48467.20 2312.32 o 6 0 0 2531.99 3032.45 730.53 o 7 0 0 275.45 254.20 219.42 o 8 0 0 18320.12 21021.17 922.97 o 9 0 0 18027.48 18184.30 766.48 o 10 0 0 20894.50 22280.25 1104.08 o 11 0 0 632.66 1338.29 328.74 o 12 0 0 7461.85 7958.34 870.55 o 13 0 0 12034.74 11911.67 694.00 o 14 0 0 3492.86 2491.80 384.23 o 2 1 0 7428.48 6709.77 263.45 o 3 1 0 19728.56 19581.23 505.98 o 4 1 0 2503.62 2353.62 152.01 o 5 1 0 10907.68 12896.54 390.63 o 6 1 0 5553.34 6012.71 264.15 o 7 1 0 3652.86 3477.49 214.65 o 8 1 0 1169.10 1198.62 204.84 o 9 1 0 2.51 -189.91 189.91 o 10 1 0 348.69 145.68 169.40 o 11 1 0 289.30 547.62 165.91 o 12 1 0 94.15 503.30 151.95 o 13 1 0 54.11 -167.78 167.78 o 14 1 0 211.96 -105.94 223.63 o 1 2 0 35723.79 35924.42 1361.16 o 2 2 0 2501.00 2942.49 123.23 o 3 2 0 25379.53 22319.83 553.25 o 4 2 0 19676.50 21122.37 709.55 o 5 2 0 9848.09 8399.10 280.24 o 6 2 0 1753.72 1586.07 149.70 o 7 2 0 5451.60 6020.63 266.20 o 8 2 0 16423.74 18335.52 778.96 o 9 2 0 15596.80 16689.97 623.42 o 10 2 0 8096.08 8255.98 455.45 o 11 2 0 321.44 737.27 189.02 o 12 2 0 5227.85 5874.63 300.21 o 13 2 0 5810.69 5537.74 328.83 o 14 2 0 2652.43 2288.54 237.79 o 1 3 0 44808.80 45133.20 1624.43 o 2 3 0 523.17 771.29 68.39 o 3 3 0 22036.75 21827.38 606.16 o 4 3 0 36.87 220.15 98.85 o 5 3 0 22332.21 23806.37 845.88 o 6 3 0 36517.33 39502.44 1117.84 o 7 3 0 22535.96 25459.12 776.49 o 8 3 0 3217.16 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15424.63 17445.64 573.22 o 12 5 0 3246.05 3624.06 274.19 o 13 5 0 19.29 30.79 166.40 o 14 5 0 1315.56 951.78 336.38 o 0 6 0 6143.71 6394.27 483.97 o 1 6 0 2750.56 1926.77 196.84 o 2 6 0 988.79 767.36 283.08 o 3 6 0 6980.06 7664.59 270.68 o 4 6 0 6092.10 7038.62 255.62 o 5 6 0 7949.73 7835.09 352.85 o 6 6 0 291.68 243.90 104.69 o 7 6 0 22.06 88.42 125.95 o 8 6 0 1906.76 1619.60 160.02 o 9 6 0 3655.70 3679.14 257.75 o 10 6 0 9.49 37.70 150.08 o 11 6 0 236.50 282.07 174.16 o 12 6 0 158.15 538.29 263.46 o 13 6 0 462.51 490.96 233.54 o 1 7 0 41012.94 41077.98 2183.47 o 2 7 0 83812.52 80834.91 4342.58 o 3 7 0 24209.28 24377.75 953.39 o 4 7 0 3603.45 3413.42 150.21 o 5 7 0 11769.82 12172.79 418.46 o 6 7 0 31803.85 33540.39 864.92 o 7 7 0 17049.22 18147.74 781.01 o 8 7 0 9238.05 9774.99 345.37 o 9 7 0 263.28 415.60 157.65 o 10 7 0 9475.39 9426.85 514.03 o 11 7 0 10091.16 10771.56 562.31 o 12 7 0 3889.99 4846.83 304.91 o 13 7 0 247.96 530.25 204.34 o 0 8 0 34906.53 39373.15 1720.05 o 1 8 0 9134.97 9285.89 697.05 o 2 8 0 1281.79 1673.24 115.25 o 3 8 0 372.24 640.01 142.55 o 4 8 0 3967.44 4252.14 177.27 o 5 8 0 1541.35 1527.92 161.39 o 6 8 0 50.07 -8.74 116.87 o 7 8 0 2.16 -106.01 106.01 o 8 8 0 75.71 230.29 132.10 o 9 8 0 2826.08 2839.80 192.75 o 10 8 0 2170.41 2178.41 209.07 o 11 8 0 276.10 533.64 176.03 o 12 8 0 71.77 45.51 161.24 o 13 8 0 190.94 147.88 214.93 o 1 9 0 11745.41 12752.45 651.28 o 2 9 0 54867.66 58456.55 6037.00 o 3 9 0 10639.26 10827.03 794.45 o 4 9 0 90.81 72.07 45.41 o 5 9 0 3435.05 3713.01 177.93 o 6 9 0 10276.02 9892.05 395.12 o 7 9 0 7837.18 8009.05 394.97 o 8 9 0 2897.54 3187.69 201.95 o 9 9 0 978.50 1029.69 151.67 o 10 9 0 7253.77 7338.18 419.87 o 11 9 0 8067.88 8026.44 357.39 o 12 9 0 3068.70 3849.86 324.97 o 0 10 0 18511.53 19283.69 898.67 o 1 10 0 14992.90 15226.47 670.70 o 2 10 0 328.88 957.40 121.49 o 3 10 0 4867.20 4864.34 628.56 o 4 10 0 4925.12 4941.77 356.64 o 5 10 0 8065.54 8147.66 319.25 o 6 10 0 829.22 938.19 138.83 o 7 10 0 373.13 391.88 88.35 o 8 10 0 1839.91 2050.32 141.62 o 9 10 0 5352.64 5736.37 275.02 o 10 10 0 1872.66 1726.54 194.63 o 11 10 0 172.60 381.69 151.28 o 12 10 0 1397.81 1275.89 272.98 o 1 11 0 4686.00 4612.92 555.00 o 2 11 0 15203.63 16239.08 719.73 o 3 11 0 6332.97 6967.13 491.08 o 4 11 0 19.96 -43.76 262.79 o 5 11 0 1120.77 1602.08 200.99 o 6 11 0 3350.80 2969.70 198.85 o 7 11 0 5549.67 5790.82 230.16 o 8 11 0 1228.68 843.49 114.03 o 9 11 0 311.44 281.16 121.57 o 10 11 0 2284.18 2269.40 202.23 o 11 11 0 2578.76 2155.56 217.47 o 0 12 0 10238.86 10184.39 588.48 o 1 12 0 9302.95 9288.69 447.04 o 2 12 0 126.46 305.92 114.84 o 3 12 0 12273.20 11692.89 504.51 o 4 12 0 14011.54 14368.32 937.51 o 5 12 0 16351.80 16779.20 916.20 o 6 12 0 2841.08 2617.06 238.66 o 7 12 0 1015.33 1006.63 80.16 o 8 12 0 5809.61 6208.22 289.45 o 9 12 0 6839.93 6886.81 344.24 o 10 12 0 2390.01 2102.62 183.99 o 11 12 0 35.80 -72.87 157.78 o 1 13 0 237.22 496.58 62.81 o 2 13 0 47.97 80.46 188.21 o 3 13 0 1947.67 1990.71 183.18 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