#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/67/2206732.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_2206732_Fobs loop_ _publ_author_name 'Sun, Ming-Mei' 'Li, Wei-Peng' 'Liu, Shi-Xiong' _publ_section_title ; (Acetato-\kO)bis(morpholine-\kN)[salicylaldehyde (2-nitrophenoxyacetyl)hydrazonato-\k^3^O,N,O']cobalt(III) ; _journal_coeditor_code KP6055 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1818 _journal_page_last m1820 _journal_volume 61 _journal_year 2005 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 113.349 _cell_angle_gamma 90.000 _cell_length_a 27.5609 _cell_length_b 13.3497 _cell_length_c 16.3934 _exptl_crystal_F_000 2528.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file kp6055Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' c in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 464.91 _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, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 4 0 0 52695.65 49837.10 131.68 o 6 0 0 180.06 127.60 16.33 o 8 0 0 29419.90 30409.79 375.64 o 10 0 0 13191.30 12356.43 189.86 o 12 0 0 43.62 45.93 40.83 o 14 0 0 2010.01 1676.11 44.91 o 16 0 0 672.85 615.52 55.12 o 18 0 0 25755.83 25565.21 508.34 o 20 0 0 21065.82 21650.55 254.17 o 22 0 0 1481.07 1324.96 50.02 o 24 0 0 761.92 795.18 115.35 o 26 0 0 1282.05 1493.39 35.73 o 28 0 0 235.67 325.63 43.89 o 30 0 0 2262.73 2164.03 151.07 o 32 0 0 1419.68 1567.90 137.80 o 3 1 0 93503.63 91430.45 2336.54 o 5 1 0 70736.97 67896.59 2170.16 o 7 1 0 95.72 112.28 21.44 o 9 1 0 36504.54 34939.97 471.60 o 11 1 0 19724.86 20262.30 230.69 o 13 1 0 813.73 677.79 30.62 o 15 1 0 6004.91 5624.45 59.20 o 17 1 0 5701.56 5435.61 113.31 o 19 1 0 2.65 3.06 30.62 o 21 1 0 4936.65 5265.14 78.60 o 23 1 0 15.00 -19.39 59.20 o 25 1 0 578.61 657.38 82.68 o 27 1 0 1148.54 1106.52 90.85 o 29 1 0 286.83 348.08 72.47 o 31 1 0 59.12 70.43 75.54 o 0 2 0 74820.30 80666.42 97.99 o 2 2 0 16429.03 17036.67 454.24 o 4 2 0 216145.02 208224.00 5806.15 o 6 2 0 949.81 757.41 37.77 o 8 2 0 3368.20 3658.44 50.02 o 10 2 0 1072.28 1357.63 38.79 o 12 2 0 6718.18 7157.65 144.95 o 14 2 0 23213.47 22457.98 226.61 o 16 2 0 2150.35 2263.05 59.20 o 18 2 0 3747.61 3461.43 139.85 o 20 2 0 2133.16 2017.04 129.64 o 22 2 0 4585.78 4651.65 153.12 o 24 2 0 754.50 787.01 75.54 o 26 2 0 714.72 689.02 85.74 o 28 2 0 17.37 -25.52 25.52 o 30 2 0 625.88 691.06 108.20 o 32 2 0 167.73 159.24 72.47 o 1 3 0 45428.20 48475.39 1543.41 o 3 3 0 918.59 1051.39 74.52 o 5 3 0 56492.42 57483.70 1882.30 o 7 3 0 189.76 216.40 22.46 o 9 3 0 145.91 203.13 22.46 o 11 3 0 150.40 103.10 39.81 o 13 3 0 20.07 13.27 38.79 o 15 3 0 5806.24 5800.02 193.95 o 17 3 0 1470.68 1355.58 45.93 o 19 3 0 1032.90 944.21 107.18 o 21 3 0 351.30 284.80 172.51 o 23 3 0 2408.18 2412.08 82.68 o 25 3 0 70.63 91.87 42.87 o 27 3 0 1.29 -1.02 70.43 o 29 3 0 53.74 30.62 61.25 o 31 3 0 10.59 -3.06 50.02 o 0 4 0 940.28 1195.32 36.75 o 2 4 0 155.37 173.53 37.77 o 4 4 0 14730.23 15150.28 585.92 o 6 4 0 6702.13 6594.18 205.17 o 8 4 0 19596.43 18383.06 33.69 o 10 4 0 5534.63 5684.67 154.14 o 12 4 0 10661.58 10276.10 250.09 o 14 4 0 401.33 443.01 56.14 o 16 4 0 2055.06 2122.18 66.35 o 18 4 0 4587.88 4128.00 103.10 o 20 4 0 262.67 184.76 52.06 o 22 4 0 138.29 88.81 54.10 o 24 4 0 312.95 254.17 43.89 o 26 4 0 64.03 73.50 47.98 o 28 4 0 216.02 156.18 51.04 o 30 4 0 28.57 19.39 58.18 o 1 5 0 187.53 179.66 24.50 o 3 5 0 269.60 235.80 50.02 o 5 5 0 7275.04 8350.93 311.34 o 7 5 0 14592.97 15246.24 338.90 o 9 5 0 2252.36 2265.09 103.10 o 11 5 0 1860.47 1814.93 55.12 o 13 5 0 742.65 716.58 64.31 o 15 5 0 7551.28 7573.10 138.82 o 17 5 0 227.00 130.66 76.56 o 19 5 0 273.69 285.82 74.52 o 21 5 0 115.14 75.54 50.02 o 23 5 0 122.88 80.64 52.06 o 25 5 0 2.44 13.27 46.96 o 27 5 0 168.22 164.34 62.27 o 29 5 0 488.70 561.42 87.79 o 31 5 0 16.49 72.47 70.43 o 0 6 0 2492.26 2238.55 61.25 o 2 6 0 360.55 300.11 23.48 o 4 6 0 2462.04 2392.69 113.31 o 6 6 0 3681.07 3505.33 80.64 o 8 6 0 4863.33 4391.36 108.20 o 10 6 0 48.17 11.23 30.62 o 12 6 0 23732.06 22885.68 903.38 o 14 6 0 10885.59 10937.56 385.85 o 16 6 0 838.01 991.17 55.12 o 18 6 0 3626.15 3597.20 80.64 o 20 6 0 2393.91 2246.72 145.97 o 22 6 0 625.21 575.71 95.95 o 24 6 0 706.51 815.60 57.16 o 26 6 0 196.17 209.26 67.37 o 28 6 0 14.85 24.50 111.26 o 30 6 0 14.02 14.29 80.64 o 1 7 0 1370.42 1411.73 55.12 o 3 7 0 30313.93 30622.11 899.30 o 5 7 0 115.97 155.16 27.56 o 7 7 0 5571.52 5329.45 118.41 o 9 7 0 640.87 480.78 42.87 o 11 7 0 6847.21 7106.61 233.76 o 13 7 0 970.61 904.40 58.18 o 15 7 0 12352.55 12005.29 426.68 o 17 7 0 3912.36 3903.43 161.28 o 19 7 0 2.06 -36.75 52.06 o 21 7 0 1335.03 1443.37 104.12 o 23 7 0 1264.75 1374.98 99.01 o 25 7 0 61.59 67.37 84.72 o 27 7 0 239.55 218.44 66.35 o 29 7 0 346.20 431.79 66.35 o 0 8 0 21018.13 20656.32 422.60 o 2 8 0 5696.92 5088.54 101.06 o 4 8 0 272.22 188.84 38.79 o 6 8 0 23910.36 24863.94 527.74 o 8 8 0 20875.10 21518.87 542.03 o 10 8 0 4097.35 4003.46 169.45 o 12 8 0 18031.57 17136.70 816.62 o 14 8 0 954.99 902.36 46.96 o 16 8 0 1410.98 1178.99 174.55 o 18 8 0 2403.42 2434.54 84.72 o 20 8 0 2832.73 3089.87 233.76 o 22 8 0 7.14 29.60 66.35 o 24 8 0 1879.09 1973.15 88.81 o 26 8 0 602.11 633.90 70.43 o 28 8 0 51.23 16.33 99.01 o 1 9 0 7116.16 7897.71 157.20 o 3 9 0 14389.75 14670.52 345.02 o 5 9 0 5897.49 5947.01 122.49 o 7 9 0 1418.52 1344.36 69.41 o 9 9 0 14970.54 15374.85 308.27 o 11 9 0 3628.06 3420.60 96.97 o 13 9 0 931.56 971.77 74.52 o 15 9 0 4096.57 3589.03 288.88 o 17 9 0 1666.17 1589.34 137.80 o 19 9 0 41.79 -54.10 145.97 o 21 9 0 2160.31 2187.51 80.64 o 23 9 0 319.34 449.14 86.77 o 25 9 0 68.97 93.91 94.93 o 27 9 0 851.07 942.17 103.10 o 0 10 0 948.28 1001.38 80.64 o 2 10 0 548.85 482.82 84.72 o 4 10 0 153.05 114.33 54.10 o 6 10 0 4987.90 4743.52 178.63 o 8 10 0 3948.97 3992.24 119.43 o 10 10 0 3183.03 3172.56 109.22 o 12 10 0 2285.18 2190.57 91.87 o 14 10 0 65.74 -5.10 63.29 o 16 10 0 182.70 239.88 74.52 o 18 10 0 10.65 133.72 60.23 o 20 10 0 623.60 480.78 134.74 o 22 10 0 28.92 18.37 89.83 o 24 10 0 346.85 257.23 61.25 o 26 10 0 259.69 175.57 161.28 o 1 11 0 336.15 452.20 38.79 o 3 11 0 235.04 340.94 53.08 o 5 11 0 359.22 272.55 45.93 o 7 11 0 236.60 198.03 82.68 o 9 11 0 9.92 -6.12 63.29 o 11 11 0 288.47 241.92 74.52 o 13 11 0 187.11 130.66 50.02 o 15 11 0 86.72 95.95 89.83 o 17 11 0 707.04 501.20 70.43 o 19 11 0 2.09 -74.52 75.54 o 21 11 0 426.77 283.77 124.53 o 23 11 0 1047.18 902.36 191.90 o 25 11 0 235.79 289.90 137.80 o 0 12 0 1565.01 1366.81 40.83 o 2 12 0 37.94 95.95 64.31 o 4 12 0 2124.52 2151.79 76.56 o 6 12 0 742.53 801.31 91.87 o 8 12 0 3384.29 3356.29 94.93 o 10 12 0 483.14 364.42 89.83 o 12 12 0 611.68 458.33 81.66 o 14 12 0 304.47 234.78 68.39 o 16 12 0 37.71 3.06 88.81 o 18 12 0 51.42 27.56 62.27 o 20 12 0 100.75 76.56 76.56 o 22 12 0 890.53 759.45 75.54 o 1 13 0 1587.49 1609.76 80.64 o 3 13 0 1110.96 956.46 57.16 o 5 13 0 178.62 208.24 47.98 o 7 13 0 7.37 2.04 102.08 o 9 13 0 1020.84 1094.27 102.08 o 11 13 0 396.96 430.77 52.06 o 13 13 0 152.10 149.03 80.64 o 15 13 0 28.05 46.96 55.12 o 17 13 0 33.14 61.25 68.39 o 19 13 0 164.35 214.36 109.22 o 21 13 0 1032.51 1148.37 89.83 o 0 14 0 1012.37 901.34 84.72 o 2 14 0 2.96 26.54 78.60 o 4 14 0 74.68 63.29 106.16 o 6 14 0 1171.26 1242.28 94.93 o 8 14 0 1576.97 1392.33 52.06 o 10 14 0 5.86 -11.23 57.16 o 12 14 0 1387.91 1157.55 137.80 o 14 14 0 662.22 545.09 63.29 o 16 14 0 50.77 -103.10 103.10 o 18 14 0 477.21 512.43 105.14 o 1 15 0 9.96 -67.37 70.43 o 3 15 0 2041.53 2304.90 62.27 o 5 15 0 1724.03 1736.33 137.80 o 7 15 0 244.23 155.16 109.22 o 9 15 0 2287.05 2279.38 117.39 o 11 15 0 1180.60 1339.25 104.12 o 13 15 0 49.76 116.37 85.74 o 15 15 0 127.56 21.44 92.89 o 0 16 0 456.76 557.34 102.08 o 2 16 0 793.03 784.97 451.18 o 4 16 0 74.62 64.31 81.66 o 6 16 0 1649.83 1950.69 118.41 o 8 16 0 1170.84 1131.01 95.95 o 10 16 0 2.35 -9.19 139.85 o 12 16 0 926.35 1249.42 167.41 o 1 17 0 221.69 354.21 119.43 o 3 17 0 1003.22 1072.83 115.35 o 5 17 0 400.93 473.64 100.04 o -33 1 1 416.09 459.35 40.83 o -31 1 1 46.60 69.41 125.55 o -29 1 1 278.32 255.19 81.66 o -27 1 1 3.26 37.77 53.08 o -25 1 1 3990.98 4025.92 134.74 o -23 1 1 171.69 59.20 100.04 o -21 1 1 3655.81 3722.75 58.18 o -19 1 1 158.08 27.56 57.16 o -17 1 1 115.40 139.85 45.93 o -15 1 1 2758.98 2834.68 56.14 o -13 1 1 5447.50 5940.89 78.60 o -11 1 1 345.43 385.85 26.54 o -9 1 1 952.27 940.13 26.54 o -7 1 1 34074.54 31795.99 547.13 o -5 1 1 978.25 1211.66 38.79 o -3 1 1 32049.33 31618.38 304.19 o -1 1 1 2518.78 886.03 398.10 o 1 1 1 11069.86 6909.60 2654.00 o 3 1 1 326.04 269.48 25.52 o 5 1 1 66586.77 69231.75 1383.14 o 7 1 1 3488.46 3270.55 110.24 o 9 1 1 590.00 651.25 20.42 o 11 1 1 1260.81 1194.30 31.64 o 13 1 1 6227.81 6429.84 73.50 o 15 1 1 661.54 453.22 23.48 o 17 1 1 1444.38 1430.10 80.64 o 19 1 1 42.67 46.96 56.14 o 21 1 1 2003.73 2010.92 109.22 o 23 1 1 893.43 972.79 72.47 o 25 1 1 579.01 603.28 72.47 o 27 1 1 1023.65 1007.50 42.87 o 29 1 1 48.23 34.71 61.25 o 31 1 1 12.02 1.02 61.25 o -32 2 1 1584.75 1691.42 81.66 o -30 2 1 525.21 610.42 84.72 o -28 2 1 14.98 41.85 81.66 o -26 2 1 211.06 204.15 107.18 o -24 2 1 1148.68 1202.47 59.20 o -22 2 1 632.50 583.88 119.43 o -20 2 1 6442.89 6496.19 104.12 o -18 2 1 9092.83 9253.29 247.03 o -16 2 1 6025.54 6161.37 95.95 o -14 2 1 3854.58 3679.88 44.91 o -12 2 1 2242.56 2097.68 61.25 o -10 2 1 361.35 368.50 23.48 o -8 2 1 66.36 75.54 16.33 o -6 2 1 28184.16 27869.09 524.68 o -4 2 1 3361.90 3483.89 77.58 o -2 2 1 93103.82 96192.35 1137.14 o 0 2 1 58624.17 60967.59 959.52 o 2 2 1 24670.10 25621.35 1025.87 o 4 2 1 4088.45 3669.67 82.68 o 6 2 1 1930.16 1931.30 38.79 o 8 2 1 1730.50 1504.62 45.93 o 10 2 1 1050.20 1217.78 37.77 o 12 2 1 21827.45 22249.74 382.79 o 14 2 1 893.40 765.58 83.70 o 16 2 1 8370.80 8378.49 232.74 o 18 2 1 6385.58 6573.77 96.97 o 20 2 1 539.73 584.90 66.35 o 22 2 1 3882.62 3686.00 72.47 o 24 2 1 2819.68 2739.75 127.60 o 26 2 1 787.04 734.96 85.74 o 28 2 1 514.29 564.49 110.24 o 30 2 1 1836.21 1760.83 138.82 o -31 3 1 45.43 130.66 110.24 o -29 3 1 1784.64 1640.38 192.93 o -27 3 1 1761.45 1821.06 115.35 o -25 3 1 269.32 261.32 76.56 o -23 3 1 1820.48 1792.47 107.18 o -21 3 1 17449.96 16004.67 971.77 o -19 3 1 4949.29 4896.64 109.22 o -17 3 1 2233.80 2003.77 46.96 o -15 3 1 13767.09 13367.00 300.11 o -13 3 1 4244.61 4113.71 43.89 o -11 3 1 1038.40 1275.96 20.42 o -9 3 1 16975.02 17144.87 321.54 o -7 3 1 11664.19 11708.24 160.26 o -5 3 1 9798.97 9286.97 211.30 o -3 3 1 129492.57 136595.48 3152.14 o -1 3 1 778.38 871.74 55.12 o 1 3 1 79597.24 85686.58 679.83 o 3 3 1 8014.40 8998.10 559.38 o 5 3 1 21944.66 25207.94 1548.51 o 7 3 1 9992.62 9240.02 336.85 o 9 3 1 129.86 115.35 30.62 o 11 3 1 311.01 276.63 35.73 o 13 3 1 7060.94 7051.49 123.51 o 15 3 1 17000.50 16662.04 476.70 o 17 3 1 2746.50 2662.17 62.27 o 19 3 1 3311.84 3195.01 120.45 o 21 3 1 40.28 1.02 46.96 o 23 3 1 314.11 315.42 75.54 o 25 3 1 197.74 178.63 55.12 o 27 3 1 759.74 772.72 92.89 o 29 3 1 622.45 622.67 78.60 o 31 3 1 186.39 243.96 95.95 o -32 4 1 915.71 897.26 143.93 o -30 4 1 851.65 949.32 68.39 o -28 4 1 154.46 175.57 42.87 o -26 4 1 1289.20 1057.52 366.46 o -24 4 1 326.38 292.96 55.12 o -22 4 1 460.08 423.62 50.02 o -20 4 1 5899.25 5498.89 270.50 o -18 4 1 27241.34 26087.85 714.54 o -16 4 1 1643.79 1388.25 36.75 o -14 4 1 10144.06 10156.67 111.26 o -12 4 1 7374.42 6211.39 148.01 o -10 4 1 11368.47 11541.86 174.55 o -8 4 1 6069.99 5933.74 174.55 o -6 4 1 8472.18 8751.07 197.01 o -4 4 1 45255.64 50049.42 1224.93 o -2 4 1 5668.63 6143.00 58.18 o 0 4 1 22967.70 24312.72 474.66 o 2 4 1 4608.46 4866.02 150.05 o 4 4 1 7223.28 7952.83 453.22 o 6 4 1 1868.73 1881.28 59.20 o 8 4 1 1322.63 1078.95 36.75 o 10 4 1 3859.23 3674.78 82.68 o 12 4 1 26481.33 26816.67 505.28 o 14 4 1 4433.04 4558.76 93.91 o 16 4 1 8432.08 8166.17 160.26 o 18 4 1 9528.82 9957.62 140.87 o 20 4 1 772.62 732.91 57.16 o 22 4 1 312.24 238.86 77.58 o 24 4 1 463.26 477.72 64.31 o 26 4 1 261.80 339.92 94.93 o 28 4 1 523.31 423.62 106.16 o 30 4 1 1441.07 1472.97 75.54 o -31 5 1 41.63 19.39 78.60 o -29 5 1 746.44 557.34 153.12 o -27 5 1 2331.65 2291.63 253.15 o -25 5 1 36.08 36.75 72.47 o -23 5 1 530.67 560.40 83.70 o -21 5 1 3737.42 3543.10 116.37 o -19 5 1 2441.79 2379.42 71.45 o -17 5 1 16924.57 15650.46 303.17 o -15 5 1 6601.50 6881.02 116.37 o -13 5 1 2376.54 2294.69 57.16 o -11 5 1 491.08 532.84 28.58 o -9 5 1 2586.46 2081.35 74.52 o -7 5 1 3684.11 3880.97 78.60 o -5 5 1 6313.52 6800.38 206.20 o -3 5 1 7044.62 7397.53 252.13 o -1 5 1 10931.65 10587.44 373.60 o 1 5 1 1062.10 1115.70 55.12 o 3 5 1 5081.39 4425.04 177.61 o 5 5 1 111.87 174.55 52.06 o 7 5 1 396.65 336.85 66.35 o 9 5 1 6773.07 6008.26 150.05 o 11 5 1 758.11 695.15 51.04 o 13 5 1 1816.64 1962.94 73.50 o 15 5 1 8209.06 7846.67 73.50 o 17 5 1 2017.19 1959.88 41.85 o 19 5 1 58.32 -25.52 55.12 o 21 5 1 1207.29 1289.23 131.68 o 23 5 1 324.73 255.19 59.20 o 25 5 1 215.98 188.84 57.16 o 27 5 1 489.59 408.31 132.70 o 29 5 1 121.85 80.64 58.18 o -30 6 1 83.69 145.97 60.23 o -28 6 1 39.13 -70.43 70.43 o -26 6 1 530.34 562.44 62.27 o -24 6 1 771.38 678.81 67.37 o -22 6 1 530.36 641.04 62.27 o -20 6 1 53.66 82.68 47.98 o -18 6 1 1549.26 1568.92 126.58 o -16 6 1 1215.26 1154.49 85.74 o -14 6 1 1341.66 1183.07 45.93 o -12 6 1 21627.06 20922.74 436.89 o -10 6 1 1438.79 1425.00 34.71 o -8 6 1 12173.47 12604.48 231.72 o -6 6 1 11155.39 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