#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/48/2214815.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_2214815_Fobs loop_ _publ_author_name 'Gao, Ting' 'Sun, Wen-Bin' 'Yan, Peng-Fei' 'Li, Guang-Ming' 'Hou, Guang-Feng' _publ_section_title ; [{\m}-N,N'-Bis(2-oxidobenzylidene)-1,2-ethanediamine](methanol)trinitratocopper(II)europium(III) ; _journal_coeditor_code NG2297 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2201 _journal_page_last m2202 _journal_volume 63 _journal_year 2007 _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 102.451 _cell_angle_gamma 90.000 _cell_length_a 12.2230 _cell_length_b 10.3630 _cell_length_c 18.4144 _exptl_crystal_F_000 1372.00 _reflns_d_resolution_high 0.7706 _[local]_cod_data_source_file ng2297Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gt-97 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 365.03 _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 133249.83 114875.11 6304.05 o 3 0 0 1657.07 1751.80 20.17 o 4 0 0 53225.91 52493.92 1218.24 o 5 0 0 4434.74 4687.18 54.90 o 6 0 0 14789.72 15566.99 234.67 o 7 0 0 27178.24 28049.96 534.10 o 8 0 0 3443.34 3388.17 57.16 o 9 0 0 5342.53 5384.28 90.69 o 10 0 0 4961.54 5099.23 130.55 o 11 0 0 6197.45 6135.69 107.67 o 12 0 0 1620.29 1682.63 44.63 o 13 0 0 2378.59 2404.02 75.88 o 14 0 0 2277.08 2461.79 116.34 o 15 0 0 766.08 768.87 45.26 o 2 1 0 21713.64 21203.63 242.25 o 3 1 0 2566.52 2531.87 20.42 o 4 1 0 9056.74 8721.32 78.98 o 5 1 0 404.12 420.18 10.59 o 6 1 0 13427.59 13519.87 132.82 o 7 1 0 2291.30 2162.39 25.43 o 8 1 0 1719.11 1748.80 25.57 o 9 1 0 492.90 566.70 16.66 o 10 1 0 598.37 671.82 19.94 o 11 1 0 1066.67 1103.59 31.94 o 12 1 0 154.27 180.79 14.16 o 13 1 0 102.20 115.72 15.05 o 14 1 0 181.02 159.45 19.45 o 15 1 0 94.34 102.99 26.97 o 0 2 0 5645.24 5832.65 69.44 o 1 2 0 14054.30 14122.55 170.41 o 2 2 0 39656.41 37373.78 732.47 o 3 2 0 19831.63 18927.14 240.85 o 4 2 0 12007.50 11820.25 119.22 o 5 2 0 38367.61 37405.02 599.83 o 6 2 0 8488.86 8717.60 93.99 o 7 2 0 21556.63 21007.63 261.58 o 8 2 0 1126.91 1226.05 37.52 o 9 2 0 15075.18 14887.16 189.77 o 10 2 0 466.96 516.10 16.47 o 11 2 0 2784.54 2823.72 53.93 o 12 2 0 587.40 631.67 25.97 o 13 2 0 508.46 510.98 23.23 o 14 2 0 1048.63 1050.07 35.20 o 15 2 0 15.53 48.89 25.44 o 1 3 0 13839.56 12862.95 145.87 o 2 3 0 75.94 161.89 15.59 o 3 3 0 5479.36 5151.75 63.37 o 4 3 0 1294.95 1391.37 23.78 o 5 3 0 6574.13 6646.64 69.80 o 6 3 0 1786.33 1898.70 26.74 o 7 3 0 177.21 205.51 13.61 o 8 3 0 1775.47 1854.66 51.51 o 9 3 0 632.58 680.05 32.73 o 10 3 0 1687.40 1735.42 47.26 o 11 3 0 1369.53 1382.36 33.30 o 12 3 0 2363.40 2340.94 46.41 o 13 3 0 1552.19 1547.97 76.85 o 14 3 0 380.34 433.21 39.46 o 15 3 0 422.49 435.15 32.26 o 0 4 0 44447.20 39790.06 1018.09 o 1 4 0 1419.99 1403.20 26.43 o 2 4 0 43015.42 41026.79 897.68 o 3 4 0 9771.19 10199.62 120.32 o 4 4 0 28237.30 28464.72 476.49 o 5 4 0 2440.64 2643.82 33.36 o 6 4 0 931.45 974.28 18.56 o 7 4 0 4250.37 4407.38 55.03 o 8 4 0 159.12 186.15 15.46 o 9 4 0 3466.56 3422.15 51.46 o 10 4 0 1454.32 1478.94 39.32 o 11 4 0 2420.94 2484.70 52.07 o 12 4 0 2168.07 2109.40 53.54 o 13 4 0 1292.16 1299.96 46.33 o 14 4 0 678.28 660.71 35.47 o 1 5 0 298.39 204.63 9.91 o 2 5 0 10316.31 10033.28 123.73 o 3 5 0 4315.38 4150.38 53.49 o 4 5 0 9265.96 9067.35 117.04 o 5 5 0 858.23 796.17 30.62 o 6 5 0 8110.54 7947.09 92.09 o 7 5 0 1789.58 1888.27 26.87 o 8 5 0 13327.65 13364.22 185.22 o 9 5 0 35.85 42.23 10.14 o 10 5 0 3991.45 3923.54 61.70 o 11 5 0 318.92 339.50 22.03 o 12 5 0 1112.96 1089.74 55.80 o 13 5 0 325.12 326.96 22.04 o 14 5 0 382.24 381.84 40.71 o 0 6 0 2369.17 2298.02 46.61 o 1 6 0 645.38 744.13 18.82 o 2 6 0 1748.33 1836.48 31.93 o 3 6 0 31.87 33.62 10.28 o 4 6 0 1269.19 1397.52 25.47 o 5 6 0 5795.05 5903.84 90.51 o 6 6 0 2790.72 2854.30 40.08 o 7 6 0 1846.09 1868.14 30.07 o 8 6 0 399.34 418.02 17.11 o 9 6 0 3239.13 3161.67 66.96 o 10 6 0 68.78 90.15 17.46 o 11 6 0 1434.79 1355.16 33.42 o 12 6 0 1.70 -12.34 12.34 o 13 6 0 17.62 23.63 13.66 o 1 7 0 12365.36 12373.09 190.01 o 2 7 0 388.41 422.84 29.23 o 3 7 0 10526.35 10391.55 151.77 o 4 7 0 4971.06 4879.45 62.76 o 5 7 0 5754.38 5778.64 88.20 o 6 7 0 6841.61 6913.00 101.60 o 7 7 0 642.63 664.01 16.69 o 8 7 0 4634.50 4692.80 106.14 o 9 7 0 39.81 40.92 13.43 o 10 7 0 4141.62 4008.87 74.95 o 11 7 0 1415.39 1431.64 40.17 o 12 7 0 2836.10 2758.60 104.08 o 13 7 0 1190.74 1388.13 83.36 o 0 8 0 3435.24 3473.82 82.18 o 1 8 0 518.79 526.57 18.65 o 2 8 0 55.90 99.87 23.14 o 3 8 0 60.31 110.28 17.42 o 4 8 0 11.82 20.01 14.56 o 5 8 0 138.33 144.95 13.58 o 6 8 0 288.63 322.89 21.85 o 7 8 0 1401.32 1421.85 27.64 o 8 8 0 50.56 69.26 14.73 o 9 8 0 58.06 62.90 15.06 o 10 8 0 15.58 6.45 9.90 o 11 8 0 0.98 -40.28 75.67 o 12 8 0 0.05 -4.58 26.57 o 1 9 0 15803.43 15441.05 253.18 o 2 9 0 1567.69 1510.94 32.38 o 3 9 0 8496.39 8202.93 150.80 o 4 9 0 3811.22 3700.62 67.41 o 5 9 0 2550.61 2481.67 44.45 o 6 9 0 4491.91 4298.51 136.51 o 7 9 0 139.79 168.29 13.19 o 8 9 0 4399.73 4255.91 80.11 o 9 9 0 325.82 297.57 40.63 o 10 9 0 3167.33 2876.40 144.99 o 11 9 0 567.79 682.29 77.77 o 0 10 0 910.93 877.35 99.40 o 1 10 0 3.05 21.90 15.42 o 2 10 0 27.81 45.98 17.96 o 3 10 0 233.17 365.34 40.69 o 4 10 0 29.71 23.70 13.62 o 5 10 0 760.64 750.44 55.34 o 6 10 0 5.84 -9.42 17.35 o 7 10 0 929.75 924.68 27.86 o 8 10 0 11.01 -12.48 34.93 o 9 10 0 171.89 124.41 40.68 o 10 10 0 19.59 35.79 72.12 o 1 11 0 3074.73 3019.82 91.80 o 2 11 0 1161.53 1253.90 34.14 o 3 11 0 1559.64 1541.84 45.33 o 4 11 0 3203.36 3109.89 59.97 o 5 11 0 954.23 1030.03 38.62 o 6 11 0 4366.36 4264.53 113.63 o 7 11 0 344.44 299.41 53.61 o 8 11 0 4284.28 4285.91 167.59 o 0 12 0 2208.50 2200.90 95.52 o 1 12 0 6.45 9.01 14.74 o 2 12 0 2858.51 2706.54 71.67 o 3 12 0 9.34 6.05 13.88 o 4 12 0 1003.25 950.27 59.05 o 5 12 0 92.15 78.30 27.63 o 6 12 0 144.51 165.98 45.90 o 1 13 0 3412.12 3219.92 108.89 o 2 13 0 107.70 115.70 23.68 o 3 13 0 1317.98 1231.58 41.25 o -15 1 1 1203.33 1159.02 66.38 o -14 1 1 858.78 835.80 44.42 o -13 1 1 2814.17 2896.09 56.32 o -12 1 1 15.27 22.56 12.40 o -11 1 1 4922.87 4964.92 67.17 o -10 1 1 114.18 153.74 13.07 o -9 1 1 11206.08 11355.03 133.58 o -8 1 1 3649.51 3663.53 42.55 o -7 1 1 11193.28 11377.28 111.27 o -6 1 1 32752.23 32364.44 421.51 o -5 1 1 3192.18 3359.00 27.41 o -4 1 1 11381.90 11237.87 103.13 o -3 1 1 12336.83 12739.49 123.52 o -2 1 1 85233.15 83734.06 2328.96 o 2 1 1 16892.80 17180.10 163.13 o 3 1 1 8304.97 8078.60 71.61 o 4 1 1 18133.41 19029.01 206.20 o 5 1 1 20850.94 20637.01 221.66 o 6 1 1 741.84 808.54 11.87 o 7 1 1 18670.07 19002.16 223.30 o 8 1 1 3493.60 3507.30 37.92 o 9 1 1 5210.20 5313.13 67.85 o 10 1 1 5240.15 5311.61 67.37 o 11 1 1 3155.13 3137.72 73.69 o 12 1 1 2694.80 2766.53 67.11 o 13 1 1 428.32 492.45 29.38 o 14 1 1 3253.81 3236.43 68.20 o 15 1 1 106.12 93.85 21.89 o -15 2 1 100.83 110.64 21.07 o -14 2 1 221.57 162.52 28.39 o -13 2 1 2.18 22.12 12.69 o -12 2 1 1188.00 1208.55 44.44 o -11 2 1 577.14 563.76 32.03 o -10 2 1 1434.45 1512.71 29.77 o -9 2 1 778.04 821.72 18.46 o -8 2 1 1859.28 1834.63 31.25 o -7 2 1 8354.35 8672.81 102.88 o -6 2 1 3114.96 3140.41 37.17 o -5 2 1 1881.04 1870.80 24.86 o -4 2 1 6223.64 6173.86 61.12 o -3 2 1 35.43 67.61 24.21 o -2 2 1 73.26 132.36 8.30 o -1 2 1 3283.09 3415.20 47.89 o 0 2 1 3542.72 3598.82 38.46 o 1 2 1 16362.93 16085.89 186.62 o 2 2 1 3450.17 3646.60 39.48 o 3 2 1 103.02 127.44 5.05 o 4 2 1 5052.76 4767.58 41.77 o 5 2 1 2019.97 1964.75 23.01 o 6 2 1 7436.01 7169.07 72.80 o 7 2 1 57.87 78.81 7.65 o 8 2 1 1643.59 1632.94 21.67 o 9 2 1 233.74 280.56 23.87 o 10 2 1 248.02 275.94 14.40 o 11 2 1 112.24 81.07 16.58 o 12 2 1 76.97 91.08 15.40 o 13 2 1 344.39 408.08 28.92 o 14 2 1 212.73 207.02 27.54 o 15 2 1 136.48 151.26 21.85 o -15 3 1 535.28 496.53 33.54 o -14 3 1 38.09 46.95 17.69 o -13 3 1 2272.96 2232.94 63.87 o -12 3 1 38.09 44.66 14.15 o -11 3 1 6504.23 6462.38 97.97 o -10 3 1 1106.17 1115.59 30.62 o -9 3 1 5723.09 5709.15 81.41 o -8 3 1 9103.95 9061.67 127.37 o -7 3 1 9875.68 9540.85 121.03 o -6 3 1 10836.15 10754.86 137.18 o -5 3 1 7890.45 7862.00 81.02 o -4 3 1 30928.22 31290.20 519.91 o -3 3 1 2099.03 2191.10 34.67 o -2 3 1 45352.80 42489.20 793.02 o -1 3 1 60.27 120.28 10.14 o 0 3 1 104.56 137.82 10.06 o 1 3 1 30360.90 28953.78 445.21 o 2 3 1 1020.75 1138.26 14.08 o 3 3 1 50933.92 48846.03 971.06 o 4 3 1 10023.85 10213.63 102.63 o 5 3 1 40961.43 39767.17 749.23 o 6 3 1 255.61 310.83 22.08 o 7 3 1 12223.69 12177.95 146.29 o 8 3 1 29.55 43.04 10.68 o 9 3 1 6129.04 6106.08 72.31 o 10 3 1 669.78 662.66 20.95 o 11 3 1 98.49 107.35 19.43 o 12 3 1 3464.53 3340.81 59.85 o 13 3 1 34.78 30.21 18.93 o 14 3 1 1362.64 1353.93 56.88 o -14 4 1 1709.57 1705.89 49.22 o -13 4 1 347.64 370.82 22.28 o -12 4 1 2289.43 2302.75 48.27 o -11 4 1 395.64 450.83 22.09 o -10 4 1 2851.91 2842.14 64.83 o -9 4 1 208.07 288.90 19.14 o -8 4 1 2670.58 2715.39 46.14 o -7 4 1 515.80 532.95 14.20 o -6 4 1 140.25 219.28 20.00 o -5 4 1 5882.86 5918.32 83.33 o -4 4 1 2669.72 2863.79 46.30 o -3 4 1 16385.39 15552.54 228.58 o -2 4 1 1440.43 1414.02 26.57 o -1 4 1 38067.98 34942.50 646.44 o 0 4 1 7403.09 7836.35 88.35 o 1 4 1 29049.52 28163.37 441.49 o 2 4 1 1413.42 1489.65 21.53 o 3 4 1 5727.52 5373.78 78.09 o 4 4 1 1101.63 1107.02 46.44 o 5 4 1 53.36 98.75 10.73 o 6 4 1 6115.94 6350.42 69.07 o 7 4 1 5054.65 5227.27 58.05 o 8 4 1 4313.76 4229.08 69.00 o 9 4 1 4974.65 5071.23 84.28 o 10 4 1 2585.79 2581.30 45.17 o 11 4 1 3461.45 3406.10 72.67 o 12 4 1 598.24 634.86 31.89 o 13 4 1 1850.67 1812.78 43.78 o 14 4 1 146.85 125.64 20.41 o -14 5 1 366.23 406.06 27.68 o -13 5 1 1636.71 1610.30 41.60 o -12 5 1 542.11 619.37 36.63 o -11 5 1 3515.61 3503.81 60.38 o -10 5 1 129.88 126.14 14.33 o -9 5 1 1442.94 1422.37 31.18 o -8 5 1 427.38 451.85 21.66 o -7 5 1 4.10 15.66 7.88 o -6 5 1 2908.82 3006.24 52.76 o -5 5 1 827.13 909.00 25.93 o -4 5 1 16913.97 16713.74 230.74 o -3 5 1 216.56 191.27 10.49 o -2 5 1 26786.06 25900.16 414.61 o -1 5 1 6347.36 6658.64 73.75 o 0 5 1 30103.13 29455.61 483.16 o 1 5 1 1316.99 1441.62 19.29 o 2 5 1 26493.41 25947.17 419.21 o 3 5 1 24.32 34.63 7.18 o 4 5 1 2073.61 1963.23 35.36 o 5 5 1 1188.85 1258.49 18.88 o 6 5 1 283.26 310.82 23.42 o 7 5 1 999.16 999.78 21.90 o 8 5 1 1551.89 1581.16 35.14 o 9 5 1 2029.84 1999.15 40.02 o 10 5 1 5397.20 5367.50 89.47 o 11 5 1 749.17 777.22 53.11 o 12 5 1 2279.39 2241.86 43.23 o 13 5 1 335.16 322.34 20.76 o 14 5 1 773.48 799.76 49.96 o -13 6 1 26.47 5.94 18.93 o -12 6 1 2341.36 2260.04 63.25 o -11 6 1 1098.53 1080.69 40.06 o -10 6 1 8560.07 8712.89 140.75 o -9 6 1 4410.63 4498.93 83.34 o -8 6 1 15422.23 15557.97 245.97 o -7 6 1 6242.12 6116.22 75.93 o -6 6 1 10043.51 9824.35 148.50 o -5 6 1 7568.05 7567.78 107.71 o -4 6 1 4432.47 4332.02 55.17 o -3 6 1 9149.55 9411.33 123.50 o -2 6 1 413.96 426.30 30.96 o -1 6 1 2683.82 2824.31 34.76 o 0 6 1 4155.67 4044.14 46.64 o 1 6 1 95.99 78.28 8.57 o 2 6 1 26525.98 26280.33 429.74 o 3 6 1 879.59 1006.68 22.22 o 4 6 1 28290.10 27932.43 487.67 o 5 6 1 679.16 679.88 17.80 o 6 6 1 20210.04 19596.53 280.84 o 7 6 1 93.88 89.45 12.31 o 8 6 1 9561.17 9614.36 133.98 o 9 6 1 124.25 142.79 11.68 o 10 6 1 2541.95 2469.70 61.53 o 11 6 1 291.41 296.72 16.73 o 12 6 1 12.69 40.65 13.55 o 13 6 1 713.92 804.37 48.86 o -13 7 1 66.48 62.04 26.34 o -12 7 1 849.61 838.63 38.79 o -11 7 1 164.47 126.41 15.11 o -10 7 1 2887.48 2878.34 49.77 o -9 7 1 2779.21 2787.16 70.60 o -8 7 1 2079.46 1999.82 39.34 o -7 7 1 3949.02 3789.87 64.53 o -6 7 1 1923.83 1916.88 61.00 o -5 7 1 2107.29 2120.19 57.77 o -4 7 1 321.40 323.18 32.31 o -3 7 1 2072.59 2012.26 33.16 o -2 7 1 0.18 18.50 10.57 o -1 7 1 60.81 71.01 18.45 o 0 7 1 428.87 537.72 35.98 o 1 7 1 2622.00 2555.95 45.47 o 2 7 1 14.66 42.90 13.00 o 3 7 1 1784.65 1788.72 40.72 o 4 7 1 73.33 101.06 15.56 o 5 7 1 4742.76 4606.16 70.57 o 6 7 1 923.21 900.44 18.90 o 7 7 1 2915.01 2830.65 40.22 o 8 7 1 36.11 45.90 12.04 o 9 7 1 803.32 767.51 39.76 o 10 7 1 35.85 51.75 16.50 o 11 7 1 6.82 -24.75 25.14 o 12 7 1 165.64 169.83 38.79 o 13 7 1 170.06 156.67 33.06 o -12 8 1 3044.36 3239.36 138.06 o -11 8 1 387.59 418.69 22.67 o -10 8 1 2854.83 2834.46 67.42 o -9 8 1 14.70 7.23 11.21 o -8 8 1 1140.77 1173.16 36.34 o -7 8 1 2246.45 2245.73 61.15 o -6 8 1 903.71 937.88 59.81 o -5 8 1 9804.28 9787.19 154.16 o -4 8 1 578.99 599.63 23.29 o -3 8 1 19750.76 19552.79 330.10 o -2 8 1 2658.39 2532.26 52.86 o -1 8 1 20903.48 20665.98 358.64 o 0 8 1 2272.13 2340.71 39.05 o 1 8 1 17520.72 17163.48 264.25 o 2 8 1 3341.04 3268.63 57.10 o 3 8 1 5044.36 4980.37 101.13 o 4 8 1 6482.27 6407.50 93.27 o 5 8 1 47.56 56.96 15.74 o 6 8 1 4527.99 4428.36 76.39 o 7 8 1 679.26 699.67 25.66 o 8 8 1 3231.82 3096.36 52.85 o 9 8 1 2951.25 2825.10 66.03 o 10 8 1 1865.51 1822.73 69.01 o 11 8 1 3645.55 3650.48 141.76 o 12 8 1 953.22 900.42 65.46 o -11 9 1 10.83 -35.88 44.47 o -10 9 1 168.98 188.11 42.60 o -9 9 1 434.34 401.36 18.09 o -8 9 1 63.72 82.34 13.91 o -7 9 1 787.40 822.96 42.25 o -6 9 1 40.26 31.89 12.94 o -5 9 1 1669.83 1630.81 41.48 o -4 9 1 15.75 31.16 14.08 o -3 9 1 434.12 391.21 23.91 o -2 9 1 182.49 237.39 25.19 o -1 9 1 74.64 113.81 14.98 o 0 9 1 757.88 839.43 29.19 o 1 9 1 264.44 349.18 39.53 o 2 9 1 12.46 26.63 12.11 o 3 9 1 1812.97 1809.45 45.41 o 4 9 1 610.43 581.46 17.07 o 5 9 1 664.54 680.94 21.13 o 6 9 1 115.83 99.02 16.69 o 7 9 1 7.01 11.88 11.43 o 8 9 1 199.42 215.84 18.14 o 9 9 1 3.01 57.70 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