#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/38/2223851.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_2223851_Fobs loop_ _publ_author_name 'Li, Jing' 'Yin, Handong' 'Wen, Liyuan' 'Cui, Jichun' _publ_section_title ; [2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]diphenyltin(IV) ; _journal_coeditor_code HY2239 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1441 _journal_volume 65 _journal_year 2009 _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 109.547 _cell_angle_gamma 90.000 _cell_length_a 9.4180 _cell_length_b 11.0861 _cell_length_c 25.6679 _exptl_crystal_F_000 1160.00 _reflns_d_resolution_high 0.8404 _[local]_cod_data_source_file hy2239Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 090929e in P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 408.88 _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 1 0 0 29301.11 32443.19 417.89 o 2 0 0 2323.52 2602.21 65.62 o 3 0 0 20303.66 20849.29 304.55 o 4 0 0 26689.34 27955.10 407.75 o 5 0 0 8911.18 9121.15 195.23 o 6 0 0 2161.79 2149.72 98.28 o 7 0 0 179.22 201.79 53.54 o 8 0 0 240.38 227.44 56.52 o 9 0 0 961.00 892.91 82.62 o 10 0 0 718.91 727.36 92.02 o 1 1 0 14993.90 15719.83 107.59 o 2 1 0 9696.19 9942.80 220.36 o 3 1 0 6393.48 6188.93 88.07 o 4 1 0 9208.79 9760.07 180.61 o 5 1 0 12.01 11.70 30.87 o 6 1 0 3076.84 3133.96 81.42 o 7 1 0 3529.02 3567.81 95.01 o 8 1 0 1320.56 1330.96 64.11 o 9 1 0 420.20 459.11 80.76 o 10 1 0 4.89 -33.11 52.50 o 0 2 0 62751.54 61175.71 551.51 o 1 2 0 46540.11 45556.75 638.63 o 2 2 0 2016.15 1990.23 31.56 o 3 2 0 4295.32 4443.44 67.59 o 4 2 0 9434.14 9809.65 223.86 o 5 2 0 7808.04 7777.63 316.40 o 6 2 0 2831.88 2801.59 172.63 o 7 2 0 376.12 405.13 55.70 o 8 2 0 499.12 576.93 74.57 o 9 2 0 528.46 596.41 88.74 o 10 2 0 598.80 610.88 91.27 o 1 3 0 939.81 932.63 16.46 o 2 3 0 5607.23 5623.86 53.24 o 3 3 0 25860.21 26255.62 348.02 o 4 3 0 4147.74 4252.01 62.08 o 5 3 0 2.16 -7.41 20.28 o 6 3 0 2222.70 2220.76 78.24 o 7 3 0 3164.68 3247.62 219.55 o 8 3 0 1260.76 1207.33 161.74 o 9 3 0 90.01 136.36 47.87 o 10 3 0 0.41 -6.04 39.72 o 0 4 0 26128.55 25695.07 518.71 o 1 4 0 13623.99 13565.62 104.30 o 2 4 0 582.89 588.67 22.90 o 3 4 0 6349.93 6495.31 92.42 o 4 4 0 10255.48 10297.27 149.35 o 5 4 0 4541.89 4417.43 63.37 o 6 4 0 1622.71 1657.01 67.64 o 7 4 0 13.86 -16.93 27.79 o 8 4 0 313.83 242.48 56.97 o 9 4 0 554.64 526.62 78.22 o 10 4 0 249.44 299.83 56.37 o 1 5 0 3076.16 2822.90 38.17 o 2 5 0 6056.12 6090.64 70.67 o 3 5 0 10637.03 11000.20 109.39 o 4 5 0 2046.72 1935.96 60.03 o 5 5 0 394.74 433.56 35.75 o 6 5 0 836.88 790.45 53.67 o 7 5 0 1340.16 1246.66 67.20 o 8 5 0 980.73 866.40 60.52 o 9 5 0 220.91 200.39 64.35 o 0 6 0 3847.00 3806.56 70.07 o 1 6 0 13372.55 13811.66 115.25 o 2 6 0 1110.56 1062.30 23.28 o 3 6 0 1636.85 1636.11 47.06 o 4 6 0 3470.07 3381.96 71.81 o 5 6 0 3887.14 3789.21 81.16 o 6 6 0 1424.72 1448.00 55.65 o 7 6 0 64.80 14.93 57.42 o 8 6 0 37.72 15.80 35.91 o 9 6 0 248.30 214.74 52.49 o 1 7 0 2625.01 2462.48 65.70 o 2 7 0 7214.11 7202.95 100.17 o 3 7 0 6955.11 6886.40 102.98 o 4 7 0 570.72 579.63 41.79 o 5 7 0 231.34 209.29 45.71 o 6 7 0 733.72 768.65 50.48 o 7 7 0 714.22 800.99 56.35 o 8 7 0 413.15 571.49 64.93 o 0 8 0 3155.46 3214.88 115.43 o 1 8 0 2163.72 2120.15 52.56 o 2 8 0 779.35 722.65 36.79 o 3 8 0 312.19 300.04 58.13 o 4 8 0 2210.64 2119.06 62.65 o 5 8 0 1817.76 1958.91 183.22 o 6 8 0 1013.95 1100.24 54.08 o 7 8 0 34.53 35.87 32.32 o 8 8 0 155.24 110.37 46.66 o 1 9 0 656.22 642.14 60.92 o 2 9 0 3931.19 3827.30 78.42 o 3 9 0 1536.03 1509.77 60.15 o 4 9 0 334.20 483.74 52.61 o 5 9 0 56.58 94.49 30.10 o 6 9 0 336.86 442.83 48.28 o 7 9 0 625.14 755.86 73.04 o 0 10 0 1695.77 1697.52 94.85 o 1 10 0 311.61 351.67 43.53 o 2 10 0 6.86 24.02 28.90 o 3 10 0 155.97 155.97 37.27 o 4 10 0 269.35 336.49 51.44 o 5 10 0 128.31 179.93 47.17 o 6 10 0 174.19 155.92 39.27 o 1 11 0 1054.43 1023.01 67.41 o 2 11 0 1947.71 1827.55 76.82 o 3 11 0 756.47 784.12 57.11 o 4 11 0 10.90 -45.22 30.15 o 5 11 0 213.96 161.99 38.78 o 0 12 0 808.54 781.65 77.40 o 1 12 0 412.14 443.41 54.04 o 2 12 0 6.35 48.77 36.07 o 3 12 0 48.23 30.31 39.18 o 4 12 0 256.26 269.60 53.67 o 1 13 0 85.89 64.15 38.23 o -10 1 1 1.76 40.27 52.65 o -9 1 1 12.94 12.80 37.81 o -8 1 1 10.75 50.48 30.62 o -7 1 1 15.26 19.13 26.07 o -6 1 1 21.46 -17.62 45.26 o -5 1 1 5.30 -17.36 18.31 o -4 1 1 166.12 177.10 27.29 o -3 1 1 29.36 50.71 21.03 o -2 1 1 13584.82 14304.01 119.66 o -1 1 1 4044.86 4171.22 41.57 o 0 1 1 6302.76 6599.08 49.72 o 1 1 1 2436.40 2483.96 33.51 o 2 1 1 16932.33 18385.79 183.77 o 3 1 1 1329.95 1441.86 39.51 o 4 1 1 652.45 649.20 34.68 o 5 1 1 2.38 -2.37 18.88 o 6 1 1 21.88 21.25 25.62 o 7 1 1 0.58 10.69 27.80 o 8 1 1 47.18 16.26 30.43 o 9 1 1 15.50 -10.18 31.69 o 10 1 1 6.86 21.77 51.75 o -10 2 1 18.42 -38.48 46.98 o -9 2 1 51.79 -4.03 46.68 o -8 2 1 89.53 50.73 33.70 o -7 2 1 3.78 11.23 25.78 o -6 2 1 710.70 629.40 42.49 o -5 2 1 20.71 8.85 18.90 o -4 2 1 176.39 171.48 23.21 o -3 2 1 3023.61 3105.53 40.55 o -2 2 1 79.09 96.08 8.12 o -1 2 1 1534.39 1564.11 26.72 o 0 2 1 10229.48 10410.19 75.46 o 1 2 1 16465.34 17508.30 181.96 o 2 2 1 1387.13 1316.67 25.72 o 3 2 1 230.88 220.04 17.02 o 4 2 1 163.14 216.18 26.09 o 5 2 1 123.84 169.54 27.26 o 6 2 1 34.01 8.23 22.46 o 7 2 1 57.35 22.16 28.30 o 8 2 1 131.20 85.73 35.57 o 9 2 1 10.46 -38.33 42.80 o 10 2 1 0.00 -10.89 51.75 o -10 3 1 31.42 19.39 36.21 o -9 3 1 9.48 -22.28 32.05 o -8 3 1 136.06 170.70 40.50 o -7 3 1 68.45 59.33 24.40 o -6 3 1 126.31 129.22 23.85 o -5 3 1 398.11 365.64 27.10 o -4 3 1 391.49 492.46 37.48 o -3 3 1 3925.10 4130.86 62.25 o -2 3 1 1590.37 1581.29 40.56 o -1 3 1 358.63 307.75 14.65 o 0 3 1 18364.12 19108.77 240.47 o 1 3 1 35.25 38.01 5.46 o 2 3 1 1390.08 1390.10 53.87 o 3 3 1 557.32 552.31 25.90 o 4 3 1 1065.24 1129.62 32.05 o 5 3 1 1850.06 2029.91 73.95 o 6 3 1 517.77 636.66 79.44 o 7 3 1 26.97 50.37 25.05 o 8 3 1 1.76 -36.75 28.11 o 9 3 1 47.82 12.21 37.41 o 10 3 1 1.86 -29.98 88.44 o -10 4 1 1.13 24.36 40.71 o -9 4 1 118.33 106.64 41.08 o -8 4 1 149.75 124.51 39.12 o -7 4 1 7.68 -40.04 26.69 o -6 4 1 150.90 155.28 46.98 o -5 4 1 75.34 57.55 15.55 o -4 4 1 857.48 966.22 58.94 o -3 4 1 2230.63 2379.49 33.74 o -2 4 1 595.03 634.65 25.00 o -1 4 1 49.27 31.01 25.00 o 0 4 1 48.39 73.40 26.83 o 1 4 1 3193.78 3329.64 43.80 o 2 4 1 2.81 -5.99 5.57 o 3 4 1 394.13 459.42 33.60 o 4 4 1 565.89 571.78 25.27 o 5 4 1 384.07 392.77 52.72 o 6 4 1 137.50 108.88 33.16 o 7 4 1 147.66 137.43 38.86 o 8 4 1 200.83 114.36 42.17 o 9 4 1 0.08 2.41 71.89 o -9 5 1 0.20 23.94 40.55 o -8 5 1 26.59 45.99 35.08 o -7 5 1 104.14 104.87 36.22 o -6 5 1 118.56 115.66 27.50 o -5 5 1 270.70 363.38 42.52 o -4 5 1 326.39 414.68 33.90 o -3 5 1 36.08 47.06 16.61 o -2 5 1 2842.17 2898.26 43.29 o -1 5 1 222.05 275.80 15.77 o 0 5 1 1194.42 1367.68 27.15 o 1 5 1 174.37 164.84 12.20 o 2 5 1 69.83 87.73 11.93 o 3 5 1 1385.30 1473.90 61.31 o 4 5 1 66.64 64.28 20.70 o 5 5 1 60.67 31.83 48.21 o 6 5 1 47.98 105.03 34.62 o 7 5 1 19.48 23.04 67.41 o 8 5 1 2.84 -39.15 59.06 o 9 5 1 10.75 -36.60 36.94 o -9 6 1 149.19 118.73 45.14 o -8 6 1 247.01 200.41 53.09 o -7 6 1 1.94 -43.33 28.88 o -6 6 1 177.70 183.86 30.96 o -5 6 1 254.17 284.73 45.21 o -4 6 1 171.46 186.13 27.17 o -3 6 1 127.02 111.77 21.67 o -2 6 1 835.22 739.09 38.27 o -1 6 1 397.52 477.20 36.96 o 0 6 1 7.83 -1.24 9.81 o 1 6 1 86.53 43.91 14.86 o 2 6 1 2329.75 2251.70 30.92 o 3 6 1 351.58 383.63 30.71 o 4 6 1 34.39 63.01 25.90 o 5 6 1 4.69 4.82 20.71 o 6 6 1 296.42 316.98 41.78 o 7 6 1 101.26 91.93 40.39 o 8 6 1 145.56 116.62 46.48 o 9 6 1 25.33 -11.36 38.10 o -9 7 1 4.39 -91.27 60.85 o -8 7 1 262.67 208.32 47.71 o -7 7 1 115.92 49.54 31.39 o -6 7 1 146.20 151.62 43.57 o -5 7 1 8.03 -27.44 21.85 o -4 7 1 13.33 61.07 23.06 o -3 7 1 127.74 156.85 24.48 o -2 7 1 1023.14 944.99 37.19 o -1 7 1 461.69 478.31 28.67 o 0 7 1 936.25 870.02 26.24 o 1 7 1 4.31 4.97 24.33 o 2 7 1 5.99 36.49 29.40 o 3 7 1 69.07 88.69 23.32 o 4 7 1 142.66 155.93 34.37 o 5 7 1 292.47 289.95 36.10 o 6 7 1 118.03 169.63 33.55 o 7 7 1 16.78 -11.40 35.10 o 8 7 1 44.99 -15.74 35.99 o -8 8 1 7.70 41.62 55.70 o -7 8 1 3.57 -8.69 26.91 o -6 8 1 34.76 54.75 36.47 o -5 8 1 287.36 351.14 38.95 o -4 8 1 653.77 681.35 53.66 o -3 8 1 479.00 574.40 39.15 o -2 8 1 867.43 778.85 51.65 o -1 8 1 44.47 59.91 20.54 o 0 8 1 636.24 602.06 40.28 o 1 8 1 1049.72 1002.64 39.13 o 2 8 1 2334.67 2224.88 57.60 o 3 8 1 549.25 588.83 46.80 o 4 8 1 239.34 234.32 33.12 o 5 8 1 252.02 310.80 37.78 o 6 8 1 356.91 396.40 44.29 o 7 8 1 119.47 131.41 37.74 o 8 8 1 38.92 17.38 43.46 o -7 9 1 258.42 278.28 45.12 o -6 9 1 501.16 611.22 52.65 o -5 9 1 825.94 883.66 50.29 o -4 9 1 25.02 27.64 26.15 o -3 9 1 471.53 467.88 39.05 o -2 9 1 607.71 608.11 38.04 o -1 9 1 1393.74 1319.62 57.94 o 0 9 1 1505.16 1426.37 61.37 o 1 9 1 76.33 83.83 29.74 o 2 9 1 219.57 313.75 40.83 o 3 9 1 73.62 96.75 37.67 o 4 9 1 693.41 724.37 45.83 o 5 9 1 748.07 781.53 53.85 o 6 9 1 27.63 12.99 29.20 o 7 9 1 2.75 -38.15 29.15 o -7 10 1 119.42 191.25 42.33 o -6 10 1 0.75 18.40 34.22 o -5 10 1 682.23 659.80 64.07 o -4 10 1 800.52 787.76 56.14 o -3 10 1 269.68 237.29 35.25 o -2 10 1 51.14 55.21 29.88 o -1 10 1 32.42 42.50 29.00 o 0 10 1 235.24 265.88 38.77 o 1 10 1 240.29 258.65 46.61 o 2 10 1 738.21 713.79 54.74 o 3 10 1 798.98 789.07 45.11 o 4 10 1 238.26 258.73 43.86 o 5 10 1 0.11 -37.88 25.25 o 6 10 1 366.88 327.97 46.49 o -5 11 1 81.14 112.77 37.66 o -4 11 1 0.63 -46.90 32.53 o -3 11 1 30.28 72.89 35.83 o -2 11 1 105.43 124.74 38.22 o -1 11 1 595.93 624.43 72.78 o 0 11 1 500.61 543.32 68.83 o 1 11 1 218.12 251.28 41.97 o 2 11 1 25.58 12.64 33.46 o 3 11 1 226.53 253.83 47.49 o 4 11 1 54.93 4.44 37.76 o 5 11 1 115.07 74.23 36.46 o -4 12 1 158.91 146.10 46.98 o -3 12 1 485.51 519.82 60.94 o -2 12 1 245.10 216.42 45.02 o -1 12 1 4.92 17.98 41.98 o 0 12 1 65.04 49.83 34.97 o 1 12 1 578.61 639.80 123.19 o 2 12 1 390.23 450.52 89.63 o 3 12 1 194.08 176.99 46.52 o 4 12 1 0.54 22.63 41.13 o -1 13 1 555.02 669.63 65.16 o 0 13 1 308.97 334.19 50.70 o 1 13 1 132.25 110.11 64.06 o -10 0 2 219.75 166.89 66.37 o -9 0 2 104.77 103.95 49.66 o -8 0 2 671.25 700.07 69.20 o -7 0 2 4098.04 3897.50 135.27 o -6 0 2 7625.27 7488.96 180.76 o -5 0 2 1055.15 882.02 56.97 o -4 0 2 49.58 38.93 24.31 o -3 0 2 4693.73 4703.15 102.31 o -2 0 2 17391.70 18121.80 252.64 o -1 0 2 37357.74 37308.49 433.70 o 0 0 2 38973.68 34792.09 333.43 o 1 0 2 76.32 78.60 13.27 o 2 0 2 167184.72 149140.05 1867.09 o 3 0 2 43996.11 44998.61 592.98 o 4 0 2 19557.49 20009.62 319.91 o 5 0 2 36.93 47.58 32.07 o 6 0 2 705.18 683.51 62.34 o 7 0 2 1787.11 1757.03 99.48 o 8 0 2 1000.42 942.42 80.54 o 9 0 2 912.91 879.33 88.59 o 10 0 2 108.03 122.89 60.55 o -10 1 2 458.90 362.26 75.76 o -9 1 2 1316.89 1238.74 158.31 o -8 1 2 1362.18 1342.95 63.78 o -7 1 2 154.21 130.30 39.30 o -6 1 2 131.74 100.03 25.96 o -5 1 2 10760.24 10613.32 148.38 o -4 1 2 22094.85 22393.92 238.72 o -3 1 2 8920.64 8959.63 110.90 o -2 1 2 12109.27 12632.32 107.39 o -1 1 2 341.98 341.69 21.13 o 0 1 2 11375.26 11995.37 74.37 o 1 1 2 34576.00 35608.33 260.43 o 2 1 2 83366.16 82356.05 935.18 o 3 1 2 2263.73 2276.97 51.23 o 4 1 2 4073.60 4232.58 106.34 o 5 1 2 7705.54 7663.33 233.11 o 6 1 2 6354.19 6477.00 277.40 o 7 1 2 1056.77 1111.61 57.86 o 8 1 2 17.86 -2.67 29.65 o 9 1 2 121.79 109.35 41.21 o 10 1 2 338.61 309.32 80.09 o -10 2 2 166.06 123.34 59.06 o -9 2 2 113.03 67.71 49.22 o -8 2 2 653.91 722.47 92.99 o -7 2 2 3638.12 3610.79 180.01 o -6 2 2 4844.49 4845.37 129.60 o -5 2 2 2303.32 2217.28 60.49 o -4 2 2 33.16 53.80 13.99 o -3 2 2 4187.45 4217.71 58.28 o -2 2 2 10678.58 10800.87 110.05 o -1 2 2 13277.28 13768.25 181.53 o 0 2 2 10825.97 11311.02 127.27 o 1 2 2 787.99 949.79 17.34 o 2 2 2 1322.69 1276.16 26.28 o 3 2 2 21814.13 22217.32 605.96 o 4 2 2 6405.53 6810.46 299.55 o 5 2 2 3311.57 3428.20 79.65 o 6 2 2 52.92 52.67 24.97 o 7 2 2 1848.92 1789.46 142.65 o 8 2 2 1296.52 1307.05 84.12 o 9 2 2 736.08 836.68 102.31 o 10 2 2 200.51 197.16 72.63 o -10 3 2 412.08 458.52 89.11 o -9 3 2 1300.24 1081.73 92.32 o -8 3 2 1432.70 1319.94 102.68 o -7 3 2 697.29 662.85 44.65 o -6 3 2 351.97 415.42 54.33 o -5 3 2 3784.46 3736.88 65.21 o -4 3 2 15848.32 16405.85 178.09 o -3 3 2 13731.99 14293.84 205.20 o -2 3 2 259.50 261.52 16.52 o -1 3 2 4798.58 4793.93 56.06 o 0 3 2 8794.06 9244.14 135.89 o 1 3 2 17139.79 17310.91 206.99 o 2 3 2 16904.20 17322.17 194.82 o 3 3 2 3273.76 3318.97 76.31 o 4 3 2 2387.30 2369.78 46.56 o 5 3 2 6544.87 6568.52 94.29 o 6 3 2 5161.58 5151.05 172.43 o 7 3 2 1314.90 1250.25 62.47 o 8 3 2 14.85 6.02 32.93 o 9 3 2 144.08 97.58 44.16 o 10 3 2 300.91 411.46 60.53 o -10 4 2 348.42 383.55 90.38 o -9 4 2 1.95 31.35 37.22 o -8 4 2 268.09 356.79 50.27 o -7 4 2 2058.82 2171.46 107.08 o -6 4 2 2851.64 2736.59 83.55 o -5 4 2 4195.65 4192.38 81.29 o -4 4 2 471.60 443.74 20.03 o -3 4 2 1319.71 1230.94 58.16 o -2 4 2 15409.49 15588.83 144.58 o -1 4 2 44966.24 45250.48 337.49 o 0 4 2 2888.30 2847.76 49.90 o 1 4 2 184.85 177.30 11.42 o 2 4 2 4683.02 4573.84 46.97 o 3 4 2 8967.01 9022.12 86.63 o 4 4 2 4324.38 4280.38 59.04 o 5 4 2 1281.29 1200.60 50.06 o 6 4 2 211.29 212.53 58.46 o 7 4 2 855.50 798.24 56.37 o 8 4 2 1128.01 1079.81 74.57 o 9 4 2 352.46 332.16 60.09 o -9 5 2 964.93 871.86 91.27 o -8 5 2 1253.19 1158.78 117.67 o -7 5 2 26.42 -11.74 30.28 o -6 5 2 281.74 330.81 41.27 o -5 5 2 2788.71 2739.10 64.67 o -4 5 2 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