#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/81/2228101.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2228101_Fobs loop_ _publ_author_name 'Wu, Bin' 'Zhao, Cheng-Xin' _publ_section_title ; Bis(2,2'-bipyridine)-1\k^2^N,N';3\k^2^N,N'-hexa-\m-methacrylato-1:2\k^6^O:O';2:3\k^6^O:O'-(nitrato-2\k^2^O,O')-1,3-dicobalt(II)-2-terbium(III) ; _journal_coeditor_code XU5010 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1075 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 103.912 _cell_angle_beta 99.950 _cell_angle_gamma 99.845 _cell_length_a 11.3717 _cell_length_b 13.4396 _cell_length_c 16.3572 _exptl_crystal_F_000 1168.00 _reflns_d_resolution_high 0.8377 _[local]_cod_data_source_file xu5010Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' tbco in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 371.13 _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' 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 11032.61 11713.73 143.10 o 3 0 0 50881.65 45976.63 357.18 o 4 0 0 11777.74 12024.93 180.91 o 5 0 0 6699.48 7014.85 95.40 o 6 0 0 9084.48 9201.57 125.65 o 7 0 0 283.92 279.74 12.86 o 8 0 0 650.31 633.75 14.21 o 9 0 0 69.46 69.81 32.58 o 10 0 0 1753.93 1878.96 39.56 o 11 0 0 4664.37 4821.30 53.52 o 12 0 0 474.09 471.19 45.37 o 13 0 0 1799.12 1904.55 54.68 o -12 1 0 3461.05 3631.10 52.35 o -11 1 0 651.01 671.31 39.56 o -10 1 0 1956.25 2012.75 38.39 o -9 1 0 3389.36 3418.19 97.73 o -8 1 0 2557.14 2685.22 131.47 o -7 1 0 1515.79 1686.99 41.88 o -6 1 0 3024.46 3056.36 47.70 o -5 1 0 16354.67 16828.01 82.60 o -4 1 0 210.40 161.72 12.80 o -3 1 0 17330.82 17694.77 238.51 o 1 1 0 24454.16 23424.93 1900.48 o 2 1 0 5265.45 5371.72 24.43 o 3 1 0 90.49 79.73 10.69 o 4 1 0 6633.33 6464.08 41.88 o 5 1 0 3977.72 3667.17 33.74 o 6 1 0 947.40 982.53 20.43 o 7 1 0 812.82 760.51 22.55 o 8 1 0 2681.02 2637.85 31.51 o 9 1 0 2100.50 2139.14 27.55 o 10 1 0 1037.94 1069.26 18.51 o 11 1 0 85.33 137.29 43.05 o 12 1 0 1547.56 1641.61 97.73 o -13 2 0 37.73 118.67 47.70 o -12 2 0 7.22 84.93 74.46 o -11 2 0 570.65 595.68 50.03 o -10 2 0 2505.81 2592.15 38.39 o -9 2 0 2887.84 2902.78 32.58 o -8 2 0 614.25 662.00 27.92 o -7 2 0 16210.97 16790.78 126.82 o -6 2 0 8615.69 8461.70 72.13 o -5 2 0 5975.44 6201.14 93.08 o -4 2 0 9839.76 9463.43 105.87 o -3 2 0 5196.99 4972.55 19.78 o -2 2 0 828.63 928.61 11.21 o -1 2 0 19514.38 19292.94 58.75 o 0 2 0 3465.18 3415.16 86.68 o 1 2 0 5247.07 5549.16 434.55 o 2 2 0 27.62 55.60 14.54 o 3 2 0 165.45 185.06 20.94 o 4 2 0 15495.59 15996.60 185.57 o 5 2 0 4149.15 4576.17 74.46 o 6 2 0 5114.33 4913.93 25.15 o 7 2 0 11395.45 11830.86 46.59 o 8 2 0 2399.34 2350.31 54.68 o 9 2 0 1176.01 1169.67 27.11 o 10 2 0 2318.40 2321.28 37.85 o 11 2 0 121.32 89.84 19.97 o 12 2 0 614.13 564.70 47.12 o -13 3 0 129.05 126.82 45.37 o -12 3 0 317.54 309.48 48.86 o -11 3 0 4146.84 4131.38 87.26 o -10 3 0 1374.63 1450.81 63.99 o -9 3 0 6883.39 6981.81 58.17 o -8 3 0 18277.02 17962.36 140.78 o -7 3 0 3146.27 3171.54 53.52 o -6 3 0 21981.36 22500.94 53.52 o -5 3 0 26790.65 27068.62 45.37 o -4 3 0 1265.01 1342.61 18.62 o -3 3 0 5222.19 5068.86 15.20 o -2 3 0 1014.33 1161.01 40.14 o -1 3 0 166.22 132.92 20.36 o 0 3 0 2037.32 1957.57 36.07 o 1 3 0 23213.35 24183.16 745.77 o 2 3 0 340.86 378.27 13.56 o 3 3 0 14208.94 16450.12 960.42 o 4 3 0 980.92 1235.40 100.64 o 5 3 0 15295.64 14183.57 851.64 o 6 3 0 7585.33 7777.29 38.67 o 7 3 0 2785.60 2861.45 49.45 o 8 3 0 12088.86 11791.18 215.24 o 9 3 0 3553.65 3591.99 39.93 o 10 3 0 4084.29 3824.43 48.28 o 11 3 0 5193.44 4771.27 199.53 o 12 3 0 866.53 670.16 58.17 o -13 4 0 842.10 816.74 61.66 o -12 4 0 399.41 395.57 51.19 o -11 4 0 2685.06 2664.28 61.66 o -10 4 0 4845.08 4772.43 76.79 o -9 4 0 1136.11 1134.35 67.48 o -8 4 0 4123.03 4123.23 55.85 o -7 4 0 16366.92 15949.61 68.64 o -6 4 0 2815.70 2751.54 26.76 o -5 4 0 2615.36 2480.46 23.27 o -4 4 0 18516.46 18090.98 399.06 o -3 4 0 297.87 283.44 19.20 o -2 4 0 274.99 244.35 14.81 o -1 4 0 36268.01 38944.18 1670.70 o 0 4 0 11476.29 11225.91 22.61 o 1 4 0 8118.14 7897.67 20.97 o 2 4 0 10214.93 10623.75 681.19 o 3 4 0 2537.60 2498.08 20.94 o 4 4 0 8311.39 9299.01 887.71 o 5 4 0 396.14 448.04 48.86 o 6 4 0 8526.16 8902.65 36.07 o 7 4 0 3523.86 3209.36 198.37 o 8 4 0 532.45 537.19 26.65 o 9 4 0 5345.73 4976.46 270.50 o 10 4 0 4183.00 4189.55 66.32 o 11 4 0 33.21 -14.43 48.86 o -13 5 0 1924.25 1854.52 90.75 o -12 5 0 3055.83 3078.46 80.28 o -11 5 0 24.62 52.35 66.32 o -10 5 0 2038.75 2049.98 67.48 o -9 5 0 4175.56 4039.47 46.54 o -8 5 0 1025.86 966.82 27.92 o -7 5 0 1278.14 1265.82 27.92 o -6 5 0 4209.75 4408.28 30.25 o -5 5 0 433.56 354.85 15.63 o -4 5 0 246.85 290.99 16.03 o -3 5 0 2523.69 2438.92 89.00 o -2 5 0 12524.88 12592.03 94.24 o -1 5 0 4955.63 5196.26 346.12 o 0 5 0 2424.06 2482.12 83.77 o 1 5 0 18210.82 18343.39 358.92 o 2 5 0 4399.33 4156.97 283.88 o 3 5 0 9026.77 9560.10 31.41 o 4 5 0 4816.24 4850.73 40.72 o 5 5 0 3768.63 3780.11 70.97 o 6 5 0 695.26 664.32 54.68 o 7 5 0 4249.11 4857.64 338.56 o 8 5 0 3095.56 3501.35 211.75 o 9 5 0 820.48 977.24 90.75 o 10 5 0 29.52 -5.39 44.15 o 11 5 0 1177.56 1228.84 85.51 o -13 6 0 1620.62 1628.82 87.26 o -12 6 0 3079.12 2803.89 75.62 o -11 6 0 4634.79 4640.97 72.13 o -10 6 0 613.99 625.93 72.13 o -9 6 0 2816.72 2829.49 38.39 o -8 6 0 3902.18 3838.19 37.23 o -7 6 0 814.58 841.17 29.09 o -6 6 0 15.58 3.96 18.50 o -5 6 0 67.80 42.88 17.67 o -4 6 0 473.43 433.96 25.60 o -3 6 0 1328.22 1307.61 59.92 o -2 6 0 2931.52 3132.07 22.61 o -1 6 0 8345.54 9239.21 326.35 o 0 6 0 18890.40 19190.36 132.63 o 1 6 0 18.42 54.12 19.69 o 2 6 0 20891.95 22873.93 1433.94 o 3 6 0 17570.95 17695.78 453.16 o 4 6 0 136.24 179.42 22.21 o 5 6 0 8421.65 8390.42 35.35 o 6 6 0 6435.54 6499.25 72.13 o 7 6 0 305.72 293.71 31.47 o 8 6 0 1881.81 1785.98 37.10 o 9 6 0 30.71 73.97 32.88 o 10 6 0 6.78 34.90 42.60 o -12 7 0 5362.67 5201.74 181.50 o -11 7 0 262.81 290.86 57.01 o -10 7 0 1343.86 1356.57 43.05 o -9 7 0 877.04 814.41 43.05 o -8 7 0 489.96 463.05 34.90 o -7 7 0 298.48 335.49 34.90 o -6 7 0 406.64 395.66 26.84 o -5 7 0 1152.90 1151.81 30.25 o -4 7 0 16.16 57.00 41.30 o -3 7 0 1774.29 1759.13 35.48 o -2 7 0 9390.10 9371.35 121.58 o -1 7 0 5004.64 5232.74 280.39 o 0 7 0 2991.31 2967.30 63.41 o 1 7 0 11892.21 11175.04 46.54 o 2 7 0 2076.54 2056.83 115.76 o 3 7 0 1943.95 1872.81 26.33 o 4 7 0 10195.47 10517.24 357.76 o 5 7 0 4266.36 4375.50 124.49 o 6 7 0 140.07 157.91 29.62 o 7 7 0 3588.93 3373.95 38.92 o 8 7 0 562.63 681.40 33.25 o 9 7 0 57.12 70.39 37.02 o 10 7 0 129.71 156.04 60.50 o -12 8 0 8.66 107.04 148.92 o -11 8 0 275.49 283.88 47.70 o -10 8 0 1445.17 1387.98 63.99 o -9 8 0 438.98 452.58 38.39 o -8 8 0 4494.90 4244.23 45.37 o -7 8 0 7655.91 7675.05 197.20 o -6 8 0 865.81 763.80 24.68 o -5 8 0 3935.31 4072.07 185.57 o -4 8 0 5780.28 5818.38 82.60 o -3 8 0 898.15 821.80 52.35 o -2 8 0 2377.92 2344.39 49.45 o -1 8 0 2165.68 2111.53 138.45 o 0 8 0 4932.14 4826.53 67.48 o 1 8 0 1558.32 1577.31 58.75 o 2 8 0 3199.00 3305.74 164.05 o 3 8 0 3129.08 3120.86 133.80 o 4 8 0 75.44 20.11 29.09 o 5 8 0 1966.47 2032.08 34.07 o 6 8 0 4928.59 5000.01 169.28 o 7 8 0 1012.31 1040.29 41.88 o 8 8 0 85.42 105.43 47.91 o 9 8 0 2235.13 2244.28 75.62 o -12 9 0 167.08 207.09 75.62 o -11 9 0 553.38 622.44 51.19 o -10 9 0 70.36 88.42 44.21 o -8 9 0 3209.48 3278.70 89.58 o -7 9 0 439.87 471.19 39.56 o -6 9 0 13306.18 14306.82 454.32 o -5 9 0 6302.47 6349.73 40.14 o -4 9 0 2089.59 2105.46 30.84 o -3 9 0 18778.13 18803.47 94.82 o -2 9 0 3359.52 3268.37 55.85 o -1 9 0 2934.02 3051.49 90.17 o 0 9 0 11757.12 11502.11 344.96 o 1 9 0 240.29 195.40 27.93 o 2 9 0 403.43 433.62 55.26 o 3 9 0 405.35 500.53 30.31 o 4 9 0 1229.88 1164.82 40.88 o 5 9 0 1255.90 1314.81 49.45 o 6 9 0 1038.52 948.20 52.35 o 7 9 0 849.02 730.64 58.17 o 8 9 0 4783.51 4851.03 203.60 o -11 10 0 1472.29 1456.63 55.85 o -10 10 0 75.69 80.28 44.21 o -9 10 0 404.56 366.48 88.42 o -8 10 0 1439.38 1497.69 75.62 o -7 10 0 2766.31 3031.86 91.91 o -6 10 0 192.79 260.40 55.85 o -5 10 0 6372.22 6540.09 62.83 o -4 10 0 4971.38 4777.09 47.70 o -3 10 0 22.09 37.23 29.20 o -2 10 0 6528.26 6474.60 36.17 o -1 10 0 7542.23 7874.02 270.50 o 0 10 0 74.48 62.35 30.41 o 1 10 0 1534.11 1306.81 560.20 o 3 10 0 87.92 24.39 32.88 o 4 10 0 94.29 -1.68 35.72 o 5 10 0 283.88 317.07 38.56 o 6 10 0 2361.61 1824.49 625.35 o 7 10 0 1706.50 1599.56 43.18 o 8 10 0 4.97 35.09 47.04 o -11 11 0 0.51 144.27 51.19 o -10 11 0 1898.80 1941.78 53.52 o -9 11 0 1468.46 1575.22 45.79 o -8 11 0 10.42 24.93 34.44 o -7 11 0 1690.63 1733.41 36.07 o -6 11 0 2415.25 2437.66 34.96 o -5 11 0 619.94 658.59 42.10 o -4 11 0 1062.88 1044.30 42.22 o -3 11 0 2730.83 2567.71 83.77 o -2 11 0 5665.00 5419.90 50.03 o -1 11 0 993.60 990.13 34.07 o 0 11 0 2653.46 2735.71 315.87 o 1 11 0 7188.67 7697.26 319.36 o 2 11 0 2256.81 2156.58 213.49 o 3 11 0 482.55 412.45 48.28 o 4 11 0 6893.63 6721.31 54.10 o 5 11 0 1248.88 1290.93 97.73 o 6 11 0 276.73 295.64 43.96 o 7 11 0 1326.66 1418.36 48.82 o -10 12 0 950.44 1203.00 61.66 o -9 12 0 1719.57 1342.05 557.29 o -8 12 0 5057.81 5152.48 141.36 o -7 12 0 98.85 159.89 35.35 o -6 12 0 2625.16 2624.72 54.68 o -5 12 0 2399.10 2240.79 51.19 o -4 12 0 1471.81 1521.67 121.58 o -3 12 0 245.97 200.62 41.30 o -2 12 0 49.36 43.05 39.56 o -1 12 0 4061.59 3988.41 93.08 o 0 12 0 3635.74 3754.20 319.36 o 1 12 0 4.61 -77.83 43.51 o 2 12 0 2877.35 2578.18 54.68 o 3 12 0 4406.55 4496.20 143.10 o 4 12 0 536.55 581.47 72.72 o 5 12 0 6966.03 6772.52 69.22 o 6 12 0 1537.61 1441.63 289.70 o -9 13 0 1859.82 1910.47 112.85 o -8 13 0 372.47 457.57 39.07 o -7 13 0 2280.80 2300.28 139.61 o -6 13 0 864.54 845.82 52.35 o -5 13 0 9.66 138.00 38.25 o -4 13 0 556.70 620.05 39.07 o -3 13 0 504.00 479.64 56.43 o -2 13 0 519.37 516.57 57.01 o -1 13 0 147.24 168.70 57.01 o 0 13 0 781.95 803.36 76.79 o 1 13 0 2765.00 3101.15 73.30 o 2 13 0 2161.64 2116.47 72.72 o 3 13 0 905.66 949.33 57.59 o 4 13 0 3099.98 3166.79 97.15 o -8 14 0 1058.17 1075.41 42.22 o -7 14 0 1203.42 1150.74 61.08 o -6 14 0 3.12 63.91 40.72 o -5 14 0 2744.45 2760.34 132.05 o -4 14 0 1993.43 1727.38 808.59 o -3 14 0 0.59 89.00 42.78 o -2 14 0 1396.13 1435.76 75.62 o -1 14 0 3798.25 3476.61 344.96 o 0 14 0 147.08 154.43 47.17 o 1 14 0 212.79 350.20 73.30 o 2 14 0 420.01 358.24 46.55 o 3 14 0 142.99 251.91 48.82 o -6 15 0 2350.17 2258.27 76.21 o -5 15 0 894.84 968.99 73.88 o -4 15 0 505.15 664.07 60.50 o -3 15 0 4850.69 4859.52 52.12 o -2 15 0 1664.81 1732.23 79.70 o -1 15 0 1578.12 1623.31 50.10 o 0 15 0 4504.62 4863.94 252.47 o -1 -15 1 1904.65 2064.04 188.48 o 0 -15 1 566.12 361.83 72.13 o 1 -15 1 373.09 445.66 48.08 o 2 -15 1 2087.72 2196.97 52.94 o 3 -15 1 265.64 297.44 47.12 o 4 -15 1 5166.91 4184.96 1394.97 o 5 -15 1 1044.69 1069.66 79.70 o 6 -15 1 39.68 88.29 68.64 o -3 -14 1 17.45 90.48 48.08 o -2 -14 1 345.05 342.93 68.64 o -1 -14 1 350.12 457.28 51.83 o 0 -14 1 4903.27 4859.99 52.24 o 1 -14 1 1483.42 1487.30 44.33 o 2 -14 1 1817.07 1909.21 63.99 o 3 -14 1 3832.24 3960.35 88.42 o 4 -14 1 1329.86 1433.82 42.36 o 5 -14 1 2877.89 2980.29 62.24 o 6 -14 1 3134.88 3071.05 68.06 o 7 -14 1 44.03 100.37 86.09 o 8 -14 1 753.16 760.32 44.40 o -5 -13 1 507.67 507.28 49.28 o -4 -13 1 179.52 221.68 61.08 o -3 -13 1 225.25 90.90 66.32 o -2 -13 1 439.94 522.83 41.25 o -1 -13 1 1073.35 1251.93 51.19 o 0 -13 1 314.87 351.15 42.36 o 1 -13 1 2693.90 2748.37 54.01 o 2 -13 1 3372.64 3520.18 55.40 o 3 -13 1 27.50 118.84 69.81 o 4 -13 1 5310.33 5346.16 48.28 o 5 -13 1 4766.51 4670.58 69.81 o 6 -13 1 34.42 154.42 44.21 o 7 -13 1 1014.28 1056.40 41.11 o 8 -13 1 2212.50 2395.38 157.65 o 9 -13 1 117.51 132.63 55.85 o -6 -12 1 1856.23 1912.27 49.77 o -5 -12 1 503.60 414.74 43.58 o -4 -12 1 3423.06 3453.95 47.26 o -3 -12 1 885.73 902.87 101.80 o -2 -12 1 1551.95 1676.08 69.22 o -1 -12 1 10596.60 11245.79 783.00 o 0 -12 1 1851.39 1818.57 104.13 o 1 -12 1 1158.08 1149.90 58.17 o 2 -12 1 418.45 373.90 35.35 o 3 -12 1 3540.66 3033.48 538.09 o 4 -12 1 28.47 77.61 82.60 o 5 -12 1 277.88 343.95 34.90 o 6 -12 1 2238.38 2322.38 39.49 o 7 -12 1 1335.87 1454.29 61.66 o 8 -12 1 99.33 122.65 39.02 o 9 -12 1 4576.62 4868.32 64.57 o 10 -12 1 4566.49 4623.51 62.83 o -7 -11 1 120.52 172.89 45.05 o -6 -11 1 2874.36 3078.30 59.92 o -5 -11 1 9557.56 9185.37 54.30 o -4 -11 1 4.27 -59.57 39.07 o -3 -11 1 7226.39 6937.09 580.56 o -2 -11 1 4513.14 4829.09 190.80 o -1 -11 1 1271.16 1313.92 38.25 o 0 -11 1 13327.28 14101.54 999.40 o 1 -11 1 3808.93 3810.76 39.84 o 2 -11 1 843.26 843.37 32.49 o 3 -11 1 2509.80 2493.62 44.42 o 4 -11 1 47.17 142.58 48.28 o 5 -11 1 888.26 891.12 76.21 o 6 -11 1 115.68 145.81 40.72 o 7 -11 1 26.86 67.00 34.78 o 8 -11 1 6431.09 6781.70 61.66 o 9 -11 1 2423.90 2632.07 43.63 o 11 -11 1 6432.09 6518.76 68.64 o -8 -10 1 672.49 735.62 51.65 o -7 -10 1 1156.27 1133.64 46.40 o -6 -10 1 514.04 548.63 42.47 o -5 -10 1 136.47 153.25 37.26 o -4 -10 1 2898.84 2819.89 40.72 o -3 -10 1 774.25 735.29 49.45 o -2 -10 1 1494.13 1613.01 36.91 o -1 -10 1 4064.85 3966.57 44.79 o 0 -10 1 4200.75 4360.15 385.10 o 1 -10 1 24.31 25.35 58.75 o 2 -10 1 1112.60 1051.76 78.53 o 3 -10 1 1320.51 1233.07 30.02 o 4 -10 1 1797.49 1904.18 31.99 o 5 -10 1 724.36 729.51 40.72 o 6 -10 1 2087.44 2188.35 121.58 o 7 -10 1 1765.50 1832.17 32.58 o 8 -10 1 117.72 167.34 39.54 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