#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/31/2223160.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_2223160_Fobs loop_ _publ_author_name 'Gao, Zhongjun' 'Zhai, Xiurong' 'Zhou, Fangxia' 'Cheng, Zhenjiao' _publ_section_title ; [N'-(3-Methoxy-2-oxidobenzylidene)nicotinohydrazidato]diphenyltin(IV) ; _journal_coeditor_code NC2154 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1134 _journal_volume 65 _journal_year 2009 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.015 _cell_angle_gamma 90.000 _cell_length_a 8.9653 _cell_length_b 20.7708 _cell_length_c 12.9031 _exptl_crystal_F_000 1088.00 _reflns_d_resolution_high 0.8396 _[local]_cod_data_source_file nc2154Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 80529e in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 369.43 _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' 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 0 -24 0 160.68 131.06 22.88 o 1 -24 0 93.31 92.25 14.42 o 2 -24 0 370.49 352.45 31.57 o 1 -23 0 574.40 588.92 31.25 o 2 -23 0 341.07 342.45 30.17 o 3 -23 0 313.32 364.03 32.13 o 0 -22 0 2135.29 2044.60 85.00 o 1 -22 0 452.02 474.77 25.23 o 2 -22 0 427.40 413.73 32.23 o 3 -22 0 140.49 139.28 21.02 o 4 -22 0 142.67 118.45 20.36 o 1 -21 0 29.06 39.36 10.33 o 2 -21 0 245.13 180.01 22.32 o 3 -21 0 1271.09 1251.01 60.06 o 4 -21 0 285.53 291.26 27.28 o 5 -21 0 60.25 77.63 18.03 o 0 -20 0 1086.46 1058.87 51.65 o 1 -20 0 288.30 347.03 27.37 o 2 -20 0 473.21 445.12 31.10 o 3 -20 0 234.98 236.14 23.45 o 4 -20 0 174.21 158.43 21.20 o 5 -20 0 164.97 162.26 23.17 o 6 -20 0 120.18 120.13 22.70 o 1 -19 0 1366.00 1212.99 55.30 o 2 -19 0 714.70 684.06 38.95 o 3 -19 0 1010.67 921.62 46.98 o 4 -19 0 172.21 165.43 21.67 o 5 -19 0 109.58 113.50 19.62 o 6 -19 0 179.07 187.10 25.31 o 0 -18 0 360.29 305.37 24.19 o 1 -18 0 190.88 180.85 19.34 o 2 -18 0 790.41 752.54 39.98 o 3 -18 0 19.04 25.41 11.02 o 4 -18 0 1268.00 1190.67 55.86 o 5 -18 0 848.13 768.23 43.90 o 6 -18 0 68.82 79.03 19.43 o 7 -18 0 160.98 151.70 24.94 o 1 -17 0 2630.89 2381.71 88.46 o 2 -17 0 2589.16 2319.97 86.96 o 3 -17 0 324.74 279.49 24.19 o 4 -17 0 33.69 53.99 14.20 o 5 -17 0 148.33 139.00 19.71 o 6 -17 0 283.76 280.80 28.12 o 7 -17 0 110.97 132.65 22.51 o 0 -16 0 5496.25 5553.74 179.81 o 1 -16 0 1327.19 1245.12 53.43 o 2 -16 0 1303.07 1241.85 53.99 o 3 -16 0 152.91 161.79 18.40 o 4 -16 0 1049.62 950.98 46.89 o 5 -16 0 988.72 966.12 48.85 o 6 -16 0 231.97 240.44 25.22 o 7 -16 0 47.93 38.02 16.91 o 1 -15 0 505.33 466.79 27.74 o 2 -15 0 558.77 496.77 29.61 o 3 -15 0 4988.54 4965.36 163.28 o 4 -15 0 405.51 378.41 27.46 o 5 -15 0 302.86 287.06 24.66 o 6 -15 0 545.46 517.23 35.40 o 7 -15 0 220.84 206.72 24.85 o 8 -15 0 130.69 124.71 22.42 o 1 -14 0 2507.66 2526.96 89.58 o 2 -14 0 832.57 743.67 36.24 o 3 -14 0 863.59 829.41 40.63 o 4 -14 0 333.50 295.56 23.45 o 5 -14 0 71.06 68.10 15.13 o 6 -14 0 671.44 649.50 39.42 o 7 -14 0 552.24 581.31 38.95 o 8 -14 0 140.26 157.31 23.63 o 1 -13 0 1043.71 1028.98 43.81 o 2 -13 0 2652.85 2744.79 109.85 o 3 -13 0 5532.80 5678.41 127.83 o 4 -13 0 2253.80 2344.03 124.19 o 5 -13 0 450.38 433.24 19.25 o 6 -13 0 627.35 625.77 39.14 o 7 -13 0 173.41 153.20 22.42 o 8 -13 0 241.23 212.61 26.25 o 1 -12 0 2638.78 2684.63 91.73 o 2 -12 0 4403.30 4661.15 104.49 o 3 -12 0 918.09 925.95 27.19 o 4 -12 0 2701.88 2750.44 142.63 o 5 -12 0 1401.98 1351.88 83.46 o 6 -12 0 653.34 653.21 25.59 o 7 -12 0 550.65 552.71 24.79 o 8 -12 0 5.27 3.70 7.91 o 1 -11 0 5773.15 5857.69 182.80 o 2 -11 0 3309.99 3322.69 76.45 o 3 -11 0 353.76 350.40 14.24 o 4 -11 0 363.50 332.50 14.99 o 5 -11 0 207.09 206.28 13.06 o 6 -11 0 83.10 88.57 10.31 o 7 -11 0 1389.29 1372.53 42.80 o 8 -11 0 1540.70 1614.41 50.06 o 9 -11 0 125.58 127.17 18.54 o 1 -10 0 1947.90 1910.28 66.79 o 2 -10 0 2251.73 2155.27 52.62 o 3 -10 0 382.28 401.64 15.08 o 4 -10 0 3978.82 3787.17 395.02 o 5 -10 0 4250.60 4466.51 103.53 o 6 -10 0 124.42 124.17 15.27 o 7 -10 0 156.85 142.49 13.21 o 8 -10 0 20.84 26.70 9.55 o 9 -10 0 86.67 91.80 13.87 o 1 -9 0 8230.72 8752.48 264.44 o 2 -9 0 1643.57 1530.87 36.64 o 3 -9 0 2057.41 2040.84 51.28 o 4 -9 0 2414.64 2559.39 62.18 o 5 -9 0 790.83 774.73 25.84 o 6 -9 0 996.26 987.12 32.16 o 7 -9 0 636.40 613.53 25.20 o 8 -9 0 627.84 638.29 28.49 o 9 -9 0 43.66 42.37 11.44 o 1 -8 0 1804.65 1752.61 60.06 o 2 -8 0 1105.46 1048.41 28.63 o 3 -8 0 715.21 659.72 19.91 o 4 -8 0 751.62 636.57 20.83 o 5 -8 0 855.21 856.70 26.85 o 6 -8 0 1598.55 1545.88 44.25 o 7 -8 0 741.95 715.10 27.63 o 8 -8 0 45.68 62.55 11.01 o 9 -8 0 685.31 703.01 30.08 o 1 -7 0 572.36 565.99 24.38 o 2 -7 0 65.39 65.17 4.88 o 3 -7 0 12837.61 12959.98 276.89 o 4 -7 0 3700.97 3838.48 112.79 o 5 -7 0 829.00 810.67 26.61 o 6 -7 0 2380.09 2352.82 61.01 o 7 -7 0 310.05 321.75 17.50 o 8 -7 0 166.63 149.67 14.18 o 9 -7 0 138.09 145.91 15.26 o 1 -6 0 8178.11 8540.54 248.93 o 2 -6 0 2039.92 2057.61 48.48 o 3 -6 0 2252.37 2266.65 63.47 o 4 -6 0 1430.54 1421.86 74.77 o 5 -6 0 1355.69 1365.29 38.28 o 6 -6 0 1974.49 1941.75 52.92 o 7 -6 0 1378.87 1355.88 41.21 o 8 -6 0 134.34 150.89 13.93 o 9 -6 0 622.18 633.05 28.20 o 2 -5 0 5383.38 5419.56 115.96 o 3 -5 0 5465.67 5195.13 114.94 o 4 -5 0 3225.16 3306.08 76.23 o 5 -5 0 643.73 591.20 21.33 o 6 -5 0 1922.34 1915.85 50.75 o 7 -5 0 766.08 708.90 28.03 o 8 -5 0 1438.96 1440.71 43.98 o 9 -5 0 131.19 144.46 14.92 o 10 -5 0 111.25 102.29 14.40 o 1 -4 0 9295.26 9408.21 199.69 o 2 -4 0 8240.46 8534.81 214.56 o 3 -4 0 110.74 117.80 6.95 o 4 -4 0 3418.18 3284.86 79.26 o 5 -4 0 3126.52 3044.18 72.82 o 6 -4 0 382.36 370.98 23.68 o 7 -4 0 229.05 214.50 14.43 o 8 -4 0 78.48 84.96 11.22 o 9 -4 0 3.26 -1.24 7.76 o 10 -4 0 137.81 138.00 15.42 o 1 -3 0 30048.40 26918.74 948.65 o 2 -3 0 7338.68 7350.78 161.92 o 3 -3 0 8690.23 9043.38 194.83 o 5 -3 0 643.56 694.53 40.96 o 6 -3 0 50.32 49.70 7.92 o 7 -3 0 1499.67 1433.38 45.86 o 8 -3 0 1212.98 1202.87 52.54 o 9 -3 0 201.46 222.61 29.19 o 10 -3 0 35.68 44.43 11.43 o 1 -2 0 11197.33 11065.51 232.09 o 2 -2 0 3919.79 4011.43 85.09 o 3 -2 0 2392.53 2359.07 53.69 o 4 -2 0 7186.64 7227.66 157.94 o 5 -2 0 3897.95 3856.87 90.31 o 6 -2 0 677.50 616.80 22.62 o 7 -2 0 571.94 545.35 22.42 o 8 -2 0 171.81 159.57 13.67 o 9 -2 0 374.25 404.33 21.79 o 10 -2 0 195.68 212.32 17.80 o 1 -1 0 6453.28 6488.10 195.22 o 2 -1 0 3070.11 3288.59 76.53 o 3 -1 0 8899.12 8431.51 181.31 o 4 -1 0 5048.85 5212.41 113.95 o 5 -1 0 1684.71 1733.23 44.72 o 6 -1 0 2540.30 2374.06 93.13 o 7 -1 0 445.76 429.41 19.58 o 8 -1 0 70.10 73.71 14.53 o 9 -1 0 106.92 118.40 13.56 o 10 -1 0 131.47 126.14 14.92 o 1 0 0 17528.26 15809.17 337.24 o 2 0 0 328.21 329.32 22.28 o 3 0 0 1624.04 1739.62 59.69 o 4 0 0 239.18 221.08 10.37 o 5 0 0 963.81 994.77 29.12 o 6 0 0 2490.57 2218.97 63.05 o 7 0 0 1134.76 1140.46 70.57 o 8 0 0 58.80 57.26 9.68 o 9 0 0 603.61 626.64 27.34 o 10 0 0 249.67 251.15 18.72 o 1 1 0 6373.05 6203.49 105.72 o 2 1 0 3555.09 3716.90 77.06 o 3 1 0 8688.61 8356.16 257.34 o 4 1 0 4956.39 5034.80 113.58 o 5 1 0 1705.62 1736.38 44.75 o 6 1 0 2546.01 2392.05 60.41 o 7 1 0 443.63 455.87 19.96 o 8 1 0 84.26 85.79 10.88 o 9 1 0 103.77 132.05 21.25 o 10 1 0 125.45 153.60 15.96 o 1 2 0 11406.38 10921.12 184.53 o 2 2 0 3269.23 3497.84 116.67 o 3 2 0 2273.87 2274.91 53.40 o 4 2 0 7251.90 7252.76 158.06 o 5 2 0 3987.15 3963.77 90.64 o 6 2 0 721.92 654.02 37.41 o 7 2 0 567.16 589.23 22.87 o 8 2 0 163.39 170.55 13.54 o 9 2 0 403.02 385.32 21.53 o 10 2 0 183.14 209.75 20.41 o 1 3 0 30037.15 25673.85 554.05 o 2 3 0 8025.53 7753.35 128.76 o 3 3 0 8749.37 9114.66 194.73 o 4 3 0 18.65 34.38 7.29 o 5 3 0 653.34 648.61 21.99 o 6 3 0 69.25 94.94 19.20 o 7 3 0 1458.63 1451.03 42.44 o 8 3 0 1180.59 1213.33 40.26 o 9 3 0 204.89 212.73 19.90 o 10 3 0 34.48 42.44 11.44 o 0 4 0 40056.65 33765.65 688.51 o 1 4 0 9536.70 9404.81 153.54 o 2 4 0 8024.71 7872.22 137.37 o 3 4 0 90.49 66.13 8.31 o 4 4 0 3511.57 3380.75 76.91 o 5 4 0 3158.38 3061.23 72.67 o 6 4 0 391.94 379.46 21.86 o 7 4 0 247.13 247.66 15.37 o 8 4 0 81.40 94.97 11.33 o 9 4 0 5.85 8.05 8.06 o 10 4 0 132.65 150.86 21.58 o 1 5 0 10897.55 10620.42 208.19 o 2 5 0 5332.96 5249.23 110.21 o 3 5 0 5463.65 5253.02 114.85 o 4 5 0 3182.82 3266.19 76.02 o 5 5 0 700.13 698.07 27.65 o 6 5 0 1868.69 1881.32 50.41 o 7 5 0 769.90 801.85 27.93 o 8 5 0 1460.51 1342.17 42.69 o 9 5 0 140.59 149.55 20.18 o 10 5 0 120.34 129.10 20.27 o 0 6 0 21129.34 20229.95 406.79 o 1 6 0 8016.74 8076.22 167.07 o 2 6 0 2156.69 2133.55 46.46 o 3 6 0 2065.34 2064.78 72.11 o 4 6 0 1417.12 1460.54 82.99 o 5 6 0 1356.98 1428.59 42.78 o 6 6 0 1973.17 2060.77 53.28 o 7 6 0 1361.28 1368.71 68.65 o 8 6 0 131.58 145.73 18.59 o 9 6 0 616.72 635.30 38.76 o 1 7 0 616.36 612.60 22.23 o 2 7 0 59.04 52.50 6.91 o 3 7 0 12995.46 13033.36 387.17 o 4 7 0 3817.96 3911.73 122.74 o 5 7 0 834.54 895.18 38.02 o 6 7 0 2357.83 2353.69 84.16 o 7 7 0 309.21 302.57 24.10 o 8 7 0 173.76 168.24 19.52 o 9 7 0 148.19 164.03 21.67 o 0 8 0 32541.16 32130.46 938.75 o 1 8 0 1921.74 1907.29 63.61 o 2 8 0 1289.65 1230.93 42.87 o 3 8 0 691.42 622.79 28.02 o 4 8 0 684.35 635.86 29.61 o 5 8 0 807.56 706.57 35.12 o 6 8 0 1575.89 1665.74 63.89 o 7 8 0 729.22 751.51 38.58 o 8 8 0 40.18 47.73 14.01 o 9 8 0 666.52 688.26 41.85 o 1 9 0 8205.58 9066.15 272.28 o 2 9 0 1413.03 1313.31 50.53 o 3 9 0 1935.18 2027.79 70.80 o 4 9 0 2352.15 2566.84 87.71 o 5 9 0 776.43 796.91 36.71 o 6 9 0 1011.28 1021.13 45.77 o 7 9 0 630.24 665.66 36.52 o 8 9 0 632.73 651.65 38.02 o 9 9 0 41.70 57.92 15.79 o 0 10 0 1274.56 1681.80 58.57 o 1 10 0 1806.38 1928.40 66.23 o 2 10 0 2496.91 2451.67 78.84 o 3 10 0 392.58 430.92 22.70 o 4 10 0 3893.44 3989.25 132.36 o 5 10 0 4148.31 4275.74 142.35 o 6 10 0 123.02 123.40 15.97 o 7 10 0 148.49 153.29 18.77 o 8 10 0 22.11 22.14 12.42 o 9 10 0 88.30 80.06 18.12 o 1 11 0 6043.93 6240.10 192.51 o 2 11 0 3328.04 3383.13 110.13 o 3 11 0 381.25 368.89 21.86 o 4 11 0 373.17 352.45 22.23 o 5 11 0 201.95 207.93 18.59 o 6 11 0 85.15 85.29 14.57 o 7 11 0 1409.97 1435.12 61.74 o 8 11 0 1544.62 1670.13 70.80 o 9 11 0 131.31 143.39 21.20 o 0 12 0 16905.59 19277.38 570.63 o 1 12 0 2649.84 2762.44 92.38 o 2 12 0 4362.82 4673.84 149.55 o 3 12 0 880.70 895.18 39.51 o 4 12 0 2650.13 2790.18 97.70 o 5 12 0 1428.93 1508.91 59.87 o 6 12 0 658.03 726.10 37.64 o 7 12 0 552.71 638.48 36.80 o 8 12 0 8.26 12.42 12.52 o 1 13 0 1066.11 1079.14 43.90 o 2 13 0 2704.51 2592.44 92.38 o 3 13 0 5594.94 5853.95 184.11 o 4 13 0 2246.38 2375.45 86.31 o 5 13 0 444.39 459.13 28.86 o 6 13 0 577.09 618.21 35.59 o 7 13 0 175.01 162.17 20.27 o 8 13 0 237.80 272.12 26.81 o 1 14 0 2490.60 2579.64 89.11 o 2 14 0 817.45 832.50 38.20 o 3 14 0 843.51 847.44 39.23 o 4 14 0 335.81 302.57 22.23 o 5 14 0 80.04 92.48 15.04 o 6 14 0 686.32 733.30 40.45 o 7 14 0 522.53 547.12 36.15 o 8 14 0 144.19 192.52 23.26 o 1 15 0 504.64 517.69 28.12 o 2 15 0 581.35 558.42 30.26 o 3 15 0 4829.89 5122.85 165.89 o 4 15 0 461.36 487.71 29.52 o 5 15 0 277.25 261.09 22.32 o 6 15 0 574.64 672.76 38.95 o 7 15 0 209.19 216.53 23.35 o 8 15 0 131.19 138.25 21.30 o 1 16 0 1388.51 1401.68 56.32 o 2 16 0 1313.81 1274.83 53.06 o 3 16 0 146.19 183.37 18.96 o 4 16 0 1058.54 1111.74 50.25 o 5 16 0 1077.79 1178.15 53.80 o 6 16 0 195.27 211.02 23.07 o 7 16 0 54.09 66.88 17.09 o 1 17 0 2612.96 2498.00 89.86 o 2 17 0 2624.84 2705.09 96.58 o 3 17 0 326.45 322.46 23.91 o 4 17 0 41.02 41.20 12.52 o 5 17 0 159.79 176.64 20.74 o 6 17 0 299.04 299.30 26.25 o 7 17 0 108.77 127.14 20.92 o 1 18 0 227.22 229.14 20.46 o 2 18 0 786.29 831.75 41.38 o 3 18 0 14.29 27.65 10.65 o 4 18 0 1294.15 1276.60 57.35 o 5 18 0 893.52 996.10 49.97 o 6 18 0 74.36 99.02 17.93 o 7 18 0 166.16 169.36 23.26 o 1 19 0 1297.13 1311.16 56.89 o 2 19 0 698.44 670.80 36.43 o 3 19 0 934.80 893.50 44.65 o 4 19 0 186.88 178.79 20.36 o 5 19 0 119.93 95.19 18.03 o 6 19 0 181.96 175.99 22.51 o 2 20 0 506.12 499.11 31.67 o 3 20 0 250.16 257.08 22.98 o 4 20 0 178.69 195.51 22.60 o 5 20 0 162.35 125.55 19.62 o 6 20 0 116.59 101.17 19.43 o 2 21 0 215.95 229.89 22.98 o 3 21 0 1254.68 1298.18 59.59 o 4 21 0 286.65 293.88 26.15 o 5 21 0 62.37 68.56 17.09 o 2 22 0 433.14 402.14 29.89 o 3 22 0 141.00 130.59 19.15 o 4 22 0 144.19 128.63 19.43 o 2 23 0 334.24 357.30 28.77 o 3 23 0 318.66 318.35 27.56 o -2 -24 1 20.33 35.22 16.44 o -1 -24 1 83.07 81.09 13.70 o 0 -24 1 496.28 544.05 27.54 o 1 -24 1 588.03 601.01 29.05 o 2 -24 1 34.13 54.67 13.41 o -3 -23 1 428.73 407.10 33.07 o -2 -23 1 440.72 478.46 35.96 o -1 -23 1 77.56 109.02 14.33 o 0 -23 1 471.26 475.15 31.62 o 1 -23 1 355.62 359.80 39.79 o 2 -23 1 700.92 648.29 42.13 o 3 -23 1 122.76 146.94 22.98 o -4 -22 1 566.04 530.30 38.30 o -3 -22 1 118.99 115.18 20.83 o -2 -22 1 466.84 469.49 34.93 o -1 -22 1 1354.43 1361.10 45.44 o 0 -22 1 416.19 373.59 29.57 o 1 -22 1 310.97 313.30 20.69 o 2 -22 1 6.00 18.12 13.17 o 3 -22 1 145.42 141.52 21.30 o 4 -22 1 163.82 162.17 23.17 o -5 -21 1 548.57 637.08 42.22 o -4 -21 1 584.68 597.01 39.79 o -3 -21 1 17.50 11.21 12.33 o -2 -21 1 62.61 92.48 17.94 o -1 -21 1 386.53 388.17 38.35 o 0 -21 1 156.05 158.25 14.74 o 1 -21 1 639.45 635.45 27.57 o 2 -21 1 1890.17 1780.16 75.57 o 3 -21 1 154.14 180.38 23.07 o 4 -21 1 271.23 262.96 26.15 o 5 -21 1 69.69 81.08 19.24 o -6 -20 1 230.99 211.02 26.99 o -5 -20 1 105.33 94.26 18.77 o -4 -20 1 596.33 598.69 39.14 o -3 -20 1 171.03 134.52 19.62 o -2 -20 1 597.39 618.68 37.36 o -1 -20 1 1332.61 1258.29 57.63 o 0 -20 1 409.93 376.29 23.35 o 1 -20 1 202.02 196.12 15.13 o 2 -20 1 65.79 63.24 14.95 o 3 -20 1 616.77 548.24 35.49 o 4 -20 1 422.96 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