#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:09:28 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181147 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/26/2222687.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_2222687_Fobs loop_ _publ_author_name 'Xue, Xiaoyan' 'Chen, Xia' 'Tong, Hongbo' _publ_section_title ; Dichloridobis{6-methyl-2-[(trimethylsilyl)amino]pyridine-\kN^1^}cobalt(II) ; _journal_coeditor_code FK2001 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m957 _journal_volume 65 _journal_year 2009 _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 114.092 _cell_angle_gamma 90.000 _cell_length_a 14.8168 _cell_length_b 12.5543 _cell_length_c 14.8862 _exptl_crystal_F_000 1028.00 _reflns_d_resolution_high 0.8408 _cod_data_source_file fk2001Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' s039p in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 310.24 _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 2 0 0 55699.32 59894.81 283.51 o 4 0 0 16.93 26.13 6.77 o 6 0 0 815.14 785.70 30.00 o 8 0 0 21486.16 22116.57 182.88 o 10 0 0 10316.90 10689.14 144.17 o 12 0 0 4467.47 4523.56 104.50 o 14 0 0 6.60 -0.97 23.22 o 1 1 0 762.90 931.99 14.52 o 3 1 0 3451.43 3671.26 48.86 o 5 1 0 6406.99 7047.81 57.13 o 7 1 0 4.42 2.90 4.79 o 9 1 0 1866.07 1810.31 40.02 o 11 1 0 1129.93 1085.57 35.23 o 13 1 0 117.47 145.53 27.34 o 15 1 0 60.25 46.45 33.87 o 0 2 0 77601.31 82689.70 291.25 o 2 2 0 75047.77 80375.10 316.12 o 4 2 0 4616.63 4449.43 38.65 o 6 2 0 14783.45 15525.15 90.99 o 8 2 0 6788.73 6912.69 71.16 o 10 2 0 7097.39 7409.35 86.69 o 12 2 0 1564.01 1562.07 66.36 o 14 2 0 501.57 548.78 45.50 o 1 3 0 1918.16 1805.04 17.90 o 3 3 0 13204.27 13814.14 94.77 o 5 3 0 446.81 415.16 13.68 o 7 3 0 1308.46 1174.38 27.02 o 9 3 0 3255.23 3154.66 50.63 o 11 3 0 194.87 179.62 33.87 o 13 3 0 164.71 130.13 27.70 o 15 3 0 241.87 235.23 37.56 o 0 4 0 3704.35 3954.18 41.85 o 2 4 0 22052.23 23801.81 87.27 o 4 4 0 33076.39 35065.93 400.46 o 6 4 0 7496.15 7795.50 113.00 o 8 4 0 2375.19 2230.39 69.79 o 10 4 0 2192.41 2113.91 75.60 o 12 4 0 537.33 555.20 46.93 o 14 4 0 916.84 901.71 60.20 o 1 5 0 2802.22 2778.11 27.15 o 3 5 0 9107.13 8668.58 161.06 o 5 5 0 27717.06 30491.10 279.18 o 7 5 0 5100.16 4455.76 96.13 o 9 5 0 31.15 48.26 18.73 o 11 5 0 147.35 135.94 27.02 o 13 5 0 1457.93 1350.47 70.79 o 15 5 0 570.44 624.13 54.53 o 0 6 0 21623.67 23188.66 125.04 o 2 6 0 5137.57 5430.22 43.02 o 4 6 0 6513.33 7027.55 88.24 o 6 6 0 12.09 13.42 9.61 o 8 6 0 3521.54 3340.97 91.34 o 10 6 0 333.96 316.54 35.88 o 12 6 0 478.67 404.96 43.44 o 14 6 0 53.67 43.31 22.91 o 1 7 0 8237.40 8879.98 74.86 o 3 7 0 3753.11 3491.34 44.84 o 5 7 0 4886.90 5115.52 100.22 o 7 7 0 2990.50 3114.58 87.92 o 9 7 0 5.03 -3.36 12.95 o 11 7 0 1152.69 934.66 59.16 o 13 7 0 224.29 247.25 39.34 o 0 8 0 2177.32 2100.38 43.65 o 2 8 0 1903.53 1847.45 33.34 o 4 8 0 1.96 2.68 6.77 o 6 8 0 3604.04 3219.70 85.86 o 8 8 0 19.39 25.46 14.14 o 10 8 0 49.43 42.07 20.66 o 12 8 0 18.17 18.89 18.44 o 1 9 0 4438.96 4776.11 76.40 o 3 9 0 1308.01 1315.76 38.23 o 5 9 0 313.64 326.97 27.34 o 7 9 0 247.04 214.43 25.46 o 9 9 0 2080.44 2030.82 68.50 o 11 9 0 449.55 461.70 49.32 o 0 10 0 1762.03 1692.34 94.83 o 2 10 0 234.23 270.18 22.07 o 4 10 0 2005.82 1846.54 48.97 o 6 10 0 1660.30 1511.06 54.71 o 8 10 0 594.94 571.78 39.69 o 10 10 0 539.66 496.82 50.29 o 1 11 0 270.44 300.86 35.80 o 3 11 0 1385.31 1435.41 52.89 o 5 11 0 440.60 426.46 28.72 o 7 11 0 152.94 164.49 21.93 o 9 11 0 241.73 233.04 31.91 o 0 12 0 201.84 208.04 46.45 o 2 12 0 101.13 118.17 27.70 o 4 12 0 494.77 481.81 36.47 o 6 12 0 269.67 281.70 32.35 o 8 12 0 20.29 35.70 16.51 o 1 13 0 485.70 442.93 46.45 o 3 13 0 171.28 147.87 31.13 o 5 13 0 40.81 38.49 18.60 o 7 13 0 9.26 23.17 13.61 o 0 14 0 5.13 27.09 29.03 o 2 14 0 126.21 145.20 33.18 o 4 14 0 241.59 287.27 54.67 o -15 1 1 2.85 6.77 24.19 o -13 1 1 1843.38 1911.98 97.24 o -11 1 1 1532.53 1487.10 40.02 o -9 1 1 4167.56 4123.86 58.14 o -7 1 1 4140.84 4106.83 50.29 o -5 1 1 541.33 518.84 15.38 o -3 1 1 131.28 131.98 5.97 o -1 1 1 57223.90 59722.30 265.31 o 1 1 1 317.15 461.79 10.08 o 3 1 1 187.29 181.82 12.58 o 5 1 1 924.06 1078.67 24.28 o 7 1 1 855.25 981.04 27.02 o 9 1 1 817.01 910.88 29.76 o 11 1 1 130.50 133.50 16.07 o 13 1 1 22.46 18.70 15.56 o -16 2 1 585.90 628.06 51.19 o -14 2 1 433.28 410.49 41.74 o -12 2 1 28.81 43.72 18.44 o -10 2 1 3643.68 3706.16 58.16 o -8 2 1 4730.21 4949.76 58.50 o -6 2 1 717.54 747.74 19.49 o -4 2 1 8861.16 9437.84 49.90 o -2 2 1 311.90 330.49 16.55 o 0 2 1 565.61 691.84 11.59 o 2 2 1 43332.68 47327.22 256.20 o 4 2 1 61.73 57.09 6.47 o 6 2 1 944.91 895.16 23.60 o 8 2 1 212.04 184.99 14.70 o 10 2 1 1580.50 1641.66 83.70 o 12 2 1 167.18 133.58 25.65 o 14 2 1 43.98 71.00 24.60 o -15 3 1 458.40 443.72 46.15 o -13 3 1 187.37 197.43 31.38 o -11 3 1 2037.95 2154.95 75.25 o -9 3 1 351.66 358.25 18.44 o -7 3 1 1017.00 1011.09 23.92 o -5 3 1 13727.72 15270.71 82.34 o -3 3 1 96250.98 105691.27 572.53 o -1 3 1 6574.45 7115.59 54.28 o 1 3 1 1539.58 1344.72 15.83 o 3 3 1 2882.97 2895.67 31.79 o 5 3 1 3730.93 3507.40 40.21 o 7 3 1 56.55 41.63 8.21 o 9 3 1 102.44 79.88 14.42 o 11 3 1 679.90 635.86 44.10 o 13 3 1 1.55 -7.01 14.01 o 15 3 1 49.77 71.12 25.32 o -14 4 1 1156.72 1123.38 64.99 o -12 4 1 86.12 66.28 21.89 o -10 4 1 69.53 72.00 20.18 o -8 4 1 1399.87 1355.25 81.76 o -6 4 1 18577.77 19306.79 84.15 o -4 4 1 19064.48 19727.00 127.37 o -2 4 1 1286.14 1415.73 16.81 o 0 4 1 679.79 729.59 13.83 o 2 4 1 2974.64 2993.77 35.33 o 4 4 1 16875.33 17545.96 128.86 o 6 4 1 3517.74 3463.89 52.25 o 8 4 1 204.23 249.17 28.39 o 10 4 1 369.37 343.96 36.60 o 12 4 1 1011.91 1117.99 61.89 o 14 4 1 438.39 490.76 49.60 o -15 5 1 3.92 -14.20 16.74 o -13 5 1 14.96 27.09 20.39 o -11 5 1 204.64 226.52 31.81 o -9 5 1 874.24 802.50 46.15 o -7 5 1 2030.20 1992.71 52.14 o -5 5 1 6461.54 7212.99 56.95 o -3 5 1 2270.83 2553.78 27.79 o -1 5 1 284.52 279.15 9.42 o 1 5 1 1859.42 1897.60 24.01 o 3 5 1 0.97 5.05 5.76 o 5 5 1 2834.19 2756.43 57.16 o 7 5 1 432.04 369.68 31.81 o 9 5 1 1014.60 985.16 52.31 o 11 5 1 49.55 44.99 19.84 o 13 5 1 22.58 12.94 17.66 o -14 6 1 1165.80 1186.62 71.16 o -12 6 1 918.51 961.40 58.83 o -10 6 1 353.83 269.89 35.32 o -8 6 1 1698.35 1664.90 52.31 o -6 6 1 12362.27 12521.69 137.78 o -4 6 1 4013.27 3944.20 40.81 o -2 6 1 2142.04 2164.27 26.19 o 0 6 1 11.36 14.95 4.17 o 2 6 1 760.75 742.77 15.92 o 4 6 1 10077.51 10288.13 109.42 o 6 6 1 6572.33 6398.92 132.08 o 8 6 1 4.65 11.93 14.32 o 10 6 1 11.09 20.67 15.55 o 12 6 1 647.91 611.18 50.97 o 14 6 1 1114.76 1124.15 70.13 o -13 7 1 127.82 163.61 33.05 o -11 7 1 297.87 287.93 37.28 o -9 7 1 453.44 420.99 31.27 o -7 7 1 288.62 332.95 26.97 o -5 7 1 2531.42 2146.84 102.01 o -3 7 1 8236.80 8480.60 64.84 o -1 7 1 15.65 30.40 5.29 o 1 7 1 239.20 236.71 10.63 o 3 7 1 1674.16 1641.24 39.27 o 5 7 1 4465.72 3896.00 130.13 o 7 7 1 1181.30 1187.97 47.10 o 9 7 1 621.17 646.19 46.83 o 11 7 1 51.53 46.61 22.45 o 13 7 1 187.59 187.92 36.56 o -12 8 1 594.82 570.58 54.67 o -10 8 1 954.98 942.67 58.47 o -8 8 1 3177.47 3067.47 76.31 o -6 8 1 1145.28 1160.63 44.21 o -4 8 1 431.87 445.74 25.16 o -2 8 1 3900.40 4056.91 129.60 o 0 8 1 4540.04 4718.05 46.51 o 2 8 1 2480.94 2636.27 47.11 o 4 8 1 370.19 344.44 31.69 o 6 8 1 9.17 3.84 10.42 o 8 8 1 77.48 76.90 22.23 o 10 8 1 1251.23 1047.79 62.85 o 12 8 1 172.19 209.04 36.93 o -13 9 1 224.13 233.83 37.56 o -11 9 1 927.82 928.58 62.22 o -9 9 1 1531.63 1404.39 57.14 o -7 9 1 1503.16 1479.55 53.26 o -5 9 1 543.49 494.15 25.80 o -3 9 1 1620.45 1622.88 41.56 o -1 9 1 6892.79 7298.90 80.65 o 1 9 1 2976.01 2925.11 55.18 o 3 9 1 1524.88 1550.58 41.97 o 5 9 1 2.68 -5.00 9.46 o 7 9 1 2557.01 2355.40 68.94 o 9 9 1 1829.30 1883.91 81.66 o 11 9 1 1419.44 1579.91 81.41 o -12 10 1 14.73 37.38 20.04 o -10 10 1 884.08 779.61 47.28 o -8 10 1 288.90 334.20 32.64 o -6 10 1 715.98 718.50 33.47 o -4 10 1 1826.32 1821.33 47.94 o -2 10 1 725.65 657.60 33.97 o 0 10 1 281.98 256.39 31.13 o 2 10 1 125.99 155.65 16.75 o 4 10 1 96.36 107.36 17.04 o 6 10 1 69.66 72.93 18.60 o 8 10 1 410.75 378.49 34.99 o 10 10 1 0.91 -4.21 16.67 o -11 11 1 588.26 561.79 65.31 o -9 11 1 348.65 391.71 37.78 o -7 11 1 679.87 669.27 35.12 o -5 11 1 45.06 37.82 13.56 o -3 11 1 1055.27 1024.32 44.68 o -1 11 1 2791.41 2792.60 91.32 o 1 11 1 4744.10 5085.40 122.47 o 3 11 1 9.37 42.55 12.97 o 5 11 1 986.19 990.89 40.46 o 7 11 1 2885.81 2819.91 81.45 o 9 11 1 2244.72 2152.91 77.26 o -8 12 1 70.38 86.20 19.82 o -6 12 1 19.30 17.76 13.68 o -4 12 1 964.55 867.74 44.98 o -2 12 1 57.89 60.87 23.23 o 0 12 1 212.86 222.84 33.82 o 2 12 1 78.16 79.73 24.97 o 4 12 1 83.60 90.71 21.65 o 6 12 1 253.11 219.20 24.53 o 8 12 1 67.56 74.68 21.54 o -7 13 1 517.48 633.29 44.83 o -5 13 1 1032.23 1170.52 54.95 o -3 13 1 1024.62 1006.73 117.08 o -1 13 1 757.00 713.51 53.71 o 1 13 1 77.13 115.07 29.33 o 3 13 1 628.05 686.63 54.05 o 5 13 1 2573.71 2713.42 103.97 o 7 13 1 1239.02 1228.71 50.66 o -4 14 1 183.08 262.01 39.92 o -2 14 1 29.56 44.42 22.17 o 0 14 1 117.73 107.66 30.77 o 2 14 1 250.60 258.45 40.50 o 4 14 1 662.44 693.76 56.44 o -14 0 2 1199.90 1233.70 86.12 o -12 0 2 29.90 35.80 15.48 o -10 0 2 2075.20 2192.59 62.89 o -8 0 2 3090.72 3005.38 64.83 o -6 0 2 4117.36 3700.13 60.96 o -4 0 2 12415.73 13811.61 97.73 o -2 0 2 11823.98 13018.17 78.38 o 0 0 2 137.98 241.90 15.48 o 2 0 2 480.98 602.82 29.03 o 4 0 2 18343.08 19160.54 139.34 o 6 0 2 287.18 293.18 22.25 o 8 0 2 3725.66 3693.35 81.28 o 10 0 2 2507.10 2473.20 74.51 o 12 0 2 880.66 860.20 50.32 o -15 1 2 213.90 206.10 47.41 o -13 1 2 254.62 273.56 26.65 o -11 1 2 382.67 354.68 21.21 o -9 1 2 1843.96 1792.42 38.30 o -7 1 2 254.36 204.21 12.32 o -5 1 2 1195.40 1235.82 22.55 o -3 1 2 645.52 700.50 12.09 o -1 1 2 31.18 41.02 3.51 o 1 1 2 21235.67 23695.71 158.69 o 3 1 2 1741.72 1929.94 32.52 o 5 1 2 4.22 4.47 4.41 o 7 1 2 1269.95 1335.05 32.84 o 9 1 2 2074.10 2120.76 186.75 o 11 1 2 546.53 513.05 27.37 o 13 1 2 17.07 -0.19 13.91 o -16 2 2 8.78 3.04 16.26 o -14 2 2 121.86 102.57 26.00 o -12 2 2 697.22 664.34 34.29 o -10 2 2 85.29 75.99 11.57 o -8 2 2 156.26 151.46 11.96 o -6 2 2 76.61 134.85 9.07 o -4 2 2 9788.84 10346.12 153.15 o -2 2 2 46.69 66.47 5.86 o 0 2 2 165.37 227.30 7.37 o 2 2 2 4065.83 4287.33 72.57 o 4 2 2 357.11 322.59 15.81 o 6 2 2 1825.88 1877.31 35.88 o 8 2 2 2656.50 2563.81 48.92 o 10 2 2 377.60 439.91 38.22 o 12 2 2 230.84 270.05 35.23 o 14 2 2 311.08 317.37 43.54 o -15 3 2 19.32 31.61 33.38 o -13 3 2 283.09 238.52 32.84 o -11 3 2 826.35 792.75 46.53 o -9 3 2 2439.02 2456.46 44.47 o -7 3 2 2532.38 2553.41 36.37 o -5 3 2 1798.00 1720.05 27.74 o -3 3 2 2304.63 2658.14 31.60 o -1 3 2 2058.65 1996.25 20.13 o 1 3 2 11206.79 11970.66 76.53 o 3 3 2 8981.30 10148.62 99.18 o 5 3 2 559.41 623.91 26.61 o 7 3 2 40.00 42.59 8.13 o 9 3 2 1562.83 1714.56 50.55 o 11 3 2 1543.14 1552.55 68.42 o 13 3 2 52.93 35.80 19.84 o -16 4 2 8.05 12.58 18.58 o -14 4 2 181.62 168.73 32.45 o -12 4 2 517.65 508.19 48.86 o -10 4 2 25.69 45.20 18.87 o -8 4 2 3050.57 3009.30 111.27 o -6 4 2 371.17 382.78 26.09 o -4 4 2 3663.35 3549.95 40.79 o -2 4 2 1625.29 1862.52 20.79 o 0 4 2 2896.71 3210.57 30.44 o 2 4 2 1097.38 1206.64 23.73 o 4 4 2 3669.62 3484.36 97.24 o 6 4 2 789.43 707.52 27.09 o 8 4 2 33.67 47.60 11.82 o 10 4 2 29.62 36.55 17.89 o 12 4 2 90.40 128.76 28.74 o 14 4 2 189.88 223.17 36.56 o -15 5 2 531.58 510.47 52.34 o -13 5 2 405.23 408.11 43.35 o -11 5 2 181.96 218.75 46.45 o -9 5 2 1100.11 1025.66 71.60 o -7 5 2 7885.27 8370.65 156.20 o -5 5 2 5037.14 5115.33 52.65 o -3 5 2 895.72 662.81 12.62 o -1 5 2 971.82 899.06 16.67 o 1 5 2 264.30 262.91 9.67 o 3 5 2 4282.64 4355.17 66.48 o 5 5 2 3948.95 4002.02 88.26 o 7 5 2 1997.14 1967.19 68.05 o 9 5 2 14.59 11.42 13.91 o 11 5 2 635.80 620.72 47.55 o 13 5 2 767.51 832.77 58.79 o -14 6 2 351.10 404.00 47.19 o -12 6 2 799.34 777.42 53.35 o -10 6 2 698.35 649.82 46.45 o -8 6 2 51.05 48.46 14.12 o -6 6 2 0.20 -3.56 6.50 o -4 6 2 19886.44 20890.43 102.23 o -2 6 2 2199.28 2139.97 26.95 o 0 6 2 14.11 6.52 3.60 o 2 6 2 318.11 322.09 15.30 o 4 6 2 4008.42 4056.78 71.11 o 6 6 2 2237.73 2222.30 72.53 o 8 6 2 631.88 562.96 42.07 o 10 6 2 613.07 570.78 45.14 o 12 6 2 129.72 115.24 36.29 o -13 7 2 233.00 196.72 35.68 o -11 7 2 231.47 235.16 34.21 o -9 7 2 5592.29 5502.66 99.99 o -7 7 2 3888.59 3753.19 76.82 o -5 7 2 74.07 60.13 12.98 o -3 7 2 311.90 294.36 13.49 o -1 7 2 1727.05 1593.04 25.65 o 1 7 2 9652.68 10050.36 80.96 o 3 7 2 2480.55 2322.94 56.40 o 5 7 2 294.22 310.06 25.61 o 7 7 2 8.30 14.61 13.91 o 9 7 2 1358.66 1370.08 67.69 o 11 7 2 1287.45 1257.29 70.38 o 13 7 2 1393.22 1447.16 80.02 o -14 8 2 380.67 465.99 52.34 o -12 8 2 1167.73 1206.00 68.74 o -10 8 2 1669.53 1574.69 59.38 o -8 8 2 1096.18 907.36 42.64 o -6 8 2 1018.38 1004.77 40.92 o -4 8 2 5123.65 5056.99 69.87 o -2 8 2 7734.79 7735.90 227.37 o 0 8 2 531.64 453.88 18.23 o 2 8 2 2887.02 2835.76 43.84 o 4 8 2 3277.65 2961.25 67.31 o 6 8 2 2088.51 1951.92 59.56 o 8 8 2 202.09 167.09 30.96 o 10 8 2 34.05 28.48 20.76 o 12 8 2 16.64 28.53 20.91 o -13 9 2 159.87 192.08 35.23 o -11 9 2 294.36 243.87 38.15 o -9 9 2 2019.92 1869.37 64.57 o -7 9 2 534.70 495.65 32.70 o -5 9 2 8.87 9.15 8.67 o -3 9 2 39.78 33.79 9.30 o -1 9 2 1188.25 1098.66 40.04 o 1 9 2 3989.77 3885.09 62.24 o 3 9 2 1818.84 1841.54 53.80 o 5 9 2 314.22 281.32 27.14 o 7 9 2 380.15 371.76 32.64 o 9 9 2 1729.90 1696.18 79.60 o 11 9 2 1100.75 1143.82 70.79 o -12 10 2 744.76 717.60 57.36 o -10 10 2 1658.01 1840.54 84.08 o -8 10 2 1352.05 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