#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/95/2209571.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_2209571_Fobs loop_ _publ_author_name 'Hong, Min' 'Yin, Han-Dong' 'Wang, Da-Qi' _publ_section_title ; [2-Oxidobenzaldehyde (4-hydroxylbenzoyl)hydrazonato]diphenyltin(IV) ethanol solvate ; _journal_coeditor_code KJ2009 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1504 _journal_page_last m1505 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.031 _cell_angle_beta 71.855 _cell_angle_gamma 88.474 _cell_length_a 9.5649 _cell_length_b 10.2296 _cell_length_c 14.1099 _exptl_crystal_F_000 580.00 _reflns_d_resolution_high 0.8377 _[local]_cod_data_source_file kj2009Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 050629j in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 221.18 _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 1 0 0 5741.17 5915.74 93.74 o 2 0 0 10786.84 11940.53 102.19 o 3 0 0 3109.68 3113.90 55.98 o 4 0 0 941.94 756.86 57.81 o 5 0 0 380.50 403.45 24.48 o 6 0 0 3016.25 2972.16 71.73 o 7 0 0 576.09 649.92 69.34 o 8 0 0 58.25 46.06 30.95 o 9 0 0 254.15 272.24 55.58 o 10 0 0 57.23 6.66 40.80 o -10 1 0 0.55 -34.36 34.36 o -9 1 0 399.48 449.83 68.84 o -8 1 0 649.47 678.30 65.03 o -7 1 0 20.50 24.07 15.10 o -6 1 0 1125.84 1027.98 41.55 o -5 1 0 3263.08 3373.34 72.04 o -4 1 0 548.09 558.39 19.21 o -3 1 0 2378.00 2259.28 34.78 o -2 1 0 4264.47 4871.21 62.86 o -1 1 0 947.28 1029.93 21.56 o 0 1 0 5346.69 6624.54 100.23 o 1 1 0 4688.23 5426.06 133.25 o 2 1 0 12199.56 12926.66 236.06 o 3 1 0 6901.69 7510.05 118.39 o 4 1 0 895.90 753.56 48.49 o 5 1 0 216.73 271.51 71.59 o 6 1 0 698.42 694.58 43.51 o 7 1 0 1213.09 1182.54 77.51 o 8 1 0 328.16 432.53 60.56 o 9 1 0 80.38 57.59 37.50 o 10 1 0 130.38 168.13 50.88 o -10 2 0 259.14 320.76 65.76 o -9 2 0 2.22 -1.73 29.66 o -8 2 0 702.90 739.08 77.01 o -7 2 0 398.51 421.17 40.41 o -6 2 0 0.16 17.34 13.00 o -5 2 0 1444.62 1356.81 32.92 o -4 2 0 4809.76 4895.08 62.71 o -3 2 0 973.17 1100.48 49.16 o -2 2 0 11042.96 12401.67 218.68 o -1 2 0 8571.97 9136.76 149.32 o 0 2 0 70.01 63.92 11.47 o 1 2 0 454.78 478.43 26.64 o 2 2 0 895.75 862.54 43.96 o 3 2 0 2070.67 2092.31 61.00 o 4 2 0 35.57 7.95 9.84 o 5 2 0 2036.15 1911.94 55.39 o 6 2 0 116.96 87.05 28.66 o 7 2 0 500.82 622.84 68.73 o 8 2 0 758.91 706.39 67.77 o 9 2 0 20.68 41.92 37.39 o 10 2 0 141.56 171.54 56.87 o -10 3 0 204.70 186.04 54.85 o -9 3 0 423.55 520.91 71.25 o -8 3 0 146.78 174.01 44.33 o -7 3 0 800.17 862.74 74.41 o -6 3 0 3197.72 3313.23 81.84 o -5 3 0 243.18 207.10 24.45 o -4 3 0 2855.36 2919.74 63.72 o -3 3 0 5549.15 5938.93 68.04 o -2 3 0 0.79 10.91 10.35 o -1 3 0 959.98 1101.73 31.02 o 0 3 0 1236.58 1246.57 46.34 o 1 3 0 81.15 65.65 15.73 o 2 3 0 615.66 632.85 39.18 o 3 3 0 1700.44 1674.57 47.26 o 4 3 0 4.61 -5.31 10.14 o 5 3 0 1196.88 1235.75 46.86 o 6 3 0 1389.13 1318.85 52.35 o 7 3 0 2.19 -8.23 25.97 o 8 3 0 115.94 136.12 43.15 o 9 3 0 106.48 138.58 46.68 o 10 3 0 1.40 -26.75 32.57 o -10 4 0 36.64 31.12 37.28 o -9 4 0 439.02 473.45 69.74 o -8 4 0 240.20 322.78 58.71 o -7 4 0 26.07 -3.99 17.02 o -6 4 0 1022.53 1003.48 46.51 o -5 4 0 1474.36 1521.87 54.04 o -4 4 0 340.93 300.80 16.59 o -3 4 0 13736.60 15024.74 270.42 o -2 4 0 702.51 616.74 39.79 o -1 4 0 0.36 -0.94 7.76 o 0 4 0 1328.41 1419.78 57.87 o 1 4 0 92.41 55.80 17.74 o 2 4 0 16.44 10.75 16.01 o 3 4 0 1063.10 961.89 39.53 o 4 4 0 1420.68 1220.39 46.54 o 5 4 0 0.43 -14.71 14.71 o 6 4 0 1733.52 1582.40 59.69 o 7 4 0 562.53 587.52 70.12 o 8 4 0 5.84 -7.61 34.25 o 9 4 0 289.18 276.15 63.41 o 10 4 0 48.67 2.01 48.02 o -10 5 0 37.65 75.50 46.79 o -9 5 0 150.09 114.96 43.83 o -8 5 0 547.89 660.11 76.00 o -7 5 0 37.15 68.56 32.85 o -6 5 0 387.29 361.95 52.56 o -5 5 0 1234.97 1142.75 70.68 o -4 5 0 87.26 27.43 22.84 o -3 5 0 1152.00 986.89 59.38 o -2 5 0 1099.89 1115.02 53.47 o -1 5 0 1076.31 895.16 50.70 o 0 5 0 22.99 -0.78 14.33 o 1 5 0 2367.28 2300.45 84.23 o 2 5 0 3248.87 3092.69 103.54 o 3 5 0 526.49 527.22 33.10 o 4 5 0 1503.30 1433.20 54.75 o 5 5 0 517.02 523.30 42.03 o 6 5 0 0.20 -17.02 17.02 o 7 5 0 297.40 278.90 56.75 o 8 5 0 244.80 205.02 51.05 o 9 5 0 7.26 19.53 43.77 o -9 6 0 52.89 34.70 39.68 o -8 6 0 73.43 72.65 40.52 o -7 6 0 425.10 539.38 68.79 o -6 6 0 40.56 13.54 25.86 o -5 6 0 833.68 859.96 65.65 o -4 6 0 890.98 855.65 62.51 o -3 6 0 485.32 469.05 36.38 o -2 6 0 198.14 249.24 36.21 o -1 6 0 2057.27 2203.40 89.49 o 0 6 0 43.86 20.48 17.80 o 1 6 0 3480.87 3502.41 115.46 o 2 6 0 1971.06 1875.73 87.31 o 3 6 0 556.80 546.21 59.78 o 4 6 0 917.30 928.23 48.57 o 5 6 0 2244.73 2125.26 73.85 o 6 6 0 8.76 14.68 20.11 o 7 6 0 377.32 429.73 66.66 o 8 6 0 215.91 187.61 57.37 o 9 6 0 49.55 98.50 55.08 o -9 7 0 157.84 80.09 49.65 o -8 7 0 0.91 -14.77 31.28 o -7 7 0 261.26 271.17 59.89 o -6 7 0 493.75 629.33 77.18 o -5 7 0 21.56 -19.03 24.46 o -4 7 0 439.14 413.39 59.05 o -3 7 0 1028.38 1028.81 68.61 o -2 7 0 501.99 415.91 50.54 o -1 7 0 146.16 166.73 34.47 o 0 7 0 1471.64 1379.65 77.12 o 1 7 0 70.86 99.96 29.27 o 2 7 0 1376.11 1156.02 73.59 o 3 7 0 1883.47 1653.83 91.56 o 4 7 0 31.49 24.24 20.39 o 5 7 0 3.10 7.78 20.28 o 6 7 0 15.08 0.22 32.69 o 7 7 0 4.92 -21.43 37.50 o 8 7 0 97.97 73.71 48.36 o -8 8 0 138.78 134.66 56.08 o -7 8 0 0.30 -16.68 32.91 o -6 8 0 380.76 241.90 54.80 o -5 8 0 496.78 565.09 50.36 o -4 8 0 17.45 -5.95 19.83 o -3 8 0 693.52 714.37 48.49 o -2 8 0 384.60 334.20 53.73 o -1 8 0 158.59 200.04 42.09 o 0 8 0 93.31 92.52 34.25 o 1 8 0 1011.24 1072.29 75.05 o 2 8 0 35.13 55.02 33.02 o 3 8 0 1098.50 874.90 73.93 o 4 8 0 869.13 828.21 56.93 o 5 8 0 151.93 120.52 47.15 o 6 8 0 230.44 177.82 53.12 o 7 8 0 79.41 167.29 55.91 o -6 9 0 37.72 35.37 26.47 o -5 9 0 478.91 449.50 49.81 o -4 9 0 579.87 608.65 58.32 o -3 9 0 2.69 -14.66 30.84 o -2 9 0 1641.22 1472.22 94.80 o -1 9 0 1307.73 1181.59 84.56 o 0 9 0 199.26 205.07 51.44 o 1 9 0 534.67 498.91 66.72 o 2 9 0 118.36 140.32 43.27 o 3 9 0 0.73 -16.23 34.14 o 4 9 0 162.67 214.63 40.11 o 5 9 0 231.10 209.58 87.54 o 6 9 0 6.85 27.54 41.03 o -6 10 0 144.60 207.49 42.15 o -5 10 0 16.78 16.93 29.38 o -4 10 0 426.96 539.27 78.69 o -3 10 0 160.14 176.19 55.75 o -2 10 0 273.07 310.80 61.12 o -1 10 0 604.86 782.28 86.47 o 0 10 0 305.27 363.07 62.91 o 1 10 0 186.47 205.02 55.36 o 2 10 0 409.61 403.43 70.97 o 3 10 0 12.22 15.62 40.86 o 4 10 0 23.59 -3.57 28.72 o 5 10 0 114.07 96.04 37.63 o -4 11 0 33.41 43.60 45.95 o -3 11 0 168.88 182.30 59.44 o -2 11 0 6.74 -32.12 42.09 o -1 11 0 88.30 50.26 43.99 o 0 11 0 268.75 332.96 67.39 o 1 11 0 13.02 94.75 45.79 o 2 11 0 1.98 -40.07 40.07 o 3 11 0 81.75 7.44 46.12 o -3 -11 1 0.14 -3.97 48.97 o -2 -11 1 120.80 80.43 49.42 o -1 -11 1 221.73 222.25 66.44 o 0 -11 1 20.93 40.63 47.63 o 1 -11 1 102.31 87.70 50.21 o 2 -11 1 327.11 302.85 70.75 o 3 -11 1 10.98 -5.49 45.06 o 4 -11 1 186.35 161.41 58.32 o -5 -10 1 0.46 -3.08 41.87 o -4 -10 1 71.63 52.32 35.48 o -3 -10 1 14.13 17.80 42.37 o -2 -10 1 2.21 12.93 39.35 o -1 -10 1 210.36 157.16 47.18 o 0 -10 1 468.15 695.81 85.91 o 1 -10 1 2.95 -9.01 30.84 o 2 -10 1 349.65 318.30 63.64 o 3 -10 1 31.77 13.49 37.05 o 4 -10 1 11.24 -4.20 41.81 o 5 -10 1 236.88 251.19 44.78 o 6 -10 1 188.16 247.90 74.39 o -6 -9 1 83.85 64.59 46.51 o -5 -9 1 119.00 123.69 49.14 o -4 -9 1 17.20 16.27 32.41 o -3 -9 1 195.75 235.80 54.07 o -2 -9 1 257.74 300.00 55.36 o -1 -9 1 29.88 52.05 37.39 o 0 -9 1 252.42 257.97 54.07 o 1 -9 1 1142.52 1205.49 88.26 o 2 -9 1 532.54 560.60 72.70 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407.73 403.88 56.36 o 6 -7 1 58.48 23.17 29.16 o 7 -7 1 201.68 123.30 44.11 o 8 -7 1 311.00 341.86 66.27 o 9 -7 1 48.53 75.11 44.67 o -8 -6 1 7.21 -37.17 37.17 o -7 -6 1 63.19 132.20 50.32 o -6 -6 1 135.35 165.16 45.56 o -5 -6 1 34.61 8.51 19.59 o -4 -6 1 530.12 544.10 40.80 o -3 -6 1 1839.38 1778.24 93.41 o -2 -6 1 23.53 23.90 25.02 o -1 -6 1 2202.38 2122.31 93.63 o 0 -6 1 575.69 519.12 44.83 o 1 -6 1 4.63 -6.66 14.38 o 2 -6 1 2035.55 1935.71 147.66 o 3 -6 1 1750.92 1813.36 77.90 o 4 -6 1 390.14 394.59 51.27 o 5 -6 1 1088.77 897.51 67.33 o 6 -6 1 591.39 568.33 67.83 o 7 -6 1 33.36 31.23 30.84 o 8 -6 1 132.07 196.68 48.36 o 9 -6 1 322.78 232.94 57.87 o -9 -5 1 44.92 22.61 42.76 o -8 -5 1 253.00 282.53 57.59 o -7 -5 1 6.92 -0.95 32.97 o -6 -5 1 610.26 661.79 77.40 o -5 -5 1 632.41 532.25 63.11 o -4 -5 1 68.01 44.26 18.31 o -3 -5 1 1613.28 1571.61 80.42 o -2 -5 1 3448.07 3454.56 116.24 o -1 -5 1 601.24 756.82 51.66 o 0 -5 1 1805.77 1653.83 73.20 o 1 -5 1 2059.17 1971.04 79.19 o 2 -5 1 35.20 20.68 13.12 o 3 -5 1 2205.33 2142.79 86.58 o 4 -5 1 3905.26 3857.96 127.99 o 5 -5 1 27.79 7.07 15.97 o 6 -5 1 547.09 605.48 45.83 o 7 -5 1 798.43 780.75 47.28 o 8 -5 1 12.72 -17.96 20.93 o 9 -5 1 141.16 134.66 47.35 o 10 -5 1 168.96 204.29 58.55 o -9 -4 1 0.39 -25.46 35.82 o -8 -4 1 188.12 204.85 52.61 o -7 -4 1 273.81 258.86 55.08 o -6 -4 1 62.70 38.79 32.18 o -5 -4 1 2622.36 2593.31 101.72 o -4 -4 1 977.31 905.31 40.68 o -3 -4 1 1539.70 1520.41 76.50 o -2 -4 1 3974.74 3450.87 107.29 o -1 -4 1 1660.46 1517.05 65.59 o 0 -4 1 31.30 29.83 15.22 o 1 -4 1 2316.02 2290.99 77.34 o 2 -4 1 3508.63 3582.00 71.87 o 3 -4 1 185.78 232.80 24.71 o 4 -4 1 1651.81 1477.71 30.07 o 5 -4 1 1495.69 1532.93 57.08 o 6 -4 1 0.23 6.10 15.86 o 7 -4 1 589.23 598.74 42.62 o 8 -4 1 87.24 110.46 27.07 o 9 -4 1 33.83 28.49 38.73 o 10 -4 1 92.32 203.51 57.20 o -10 -3 1 173.41 135.39 51.33 o -9 -3 1 90.32 101.97 48.02 o -8 -3 1 36.40 24.91 33.58 o -7 -3 1 725.81 690.39 65.93 o -6 -3 1 324.63 281.97 49.53 o -5 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61.65 o 7 -2 1 30.34 5.84 16.50 o 8 -2 1 870.38 865.61 71.69 o 9 -2 1 878.31 799.74 72.70 o 10 -2 1 277.25 234.73 61.01 o -10 -1 1 3.00 -37.10 37.10 o -9 -1 1 160.09 117.15 48.02 o -8 -1 1 423.24 532.94 70.19 o -7 -1 1 49.43 75.22 31.96 o -6 -1 1 1126.07 955.61 107.51 o -5 -1 1 2547.62 2510.58 138.21 o -4 -1 1 895.32 855.55 45.81 o -3 -1 1 58.42 49.33 10.14 o -2 -1 1 4405.64 4705.58 64.71 o -1 -1 1 5087.66 5602.73 104.88 o 0 -1 1 6314.28 6975.84 78.41 o 1 -1 1 9694.96 10736.41 164.29 o 2 -1 1 6414.50 7008.18 89.70 o 3 -1 1 115.83 153.88 21.97 o 4 -1 1 4028.90 4206.77 77.25 o 5 -1 1 943.86 945.50 37.62 o 6 -1 1 61.82 34.40 15.72 o 7 -1 1 621.50 647.14 37.55 o 8 -1 1 134.34 101.02 38.01 o 9 -1 1 198.17 125.26 44.83 o 10 -1 1 294.70 226.56 55.41 o 11 -1 1 22.14 64.09 47.97 o -10 0 1 106.15 92.74 47.97 o -9 0 1 7.51 -21.21 30.89 o -8 0 1 413.48 490.41 65.93 o -7 0 1 674.40 610.36 58.76 o -6 0 1 13.54 9.14 13.17 o -5 0 1 393.85 429.62 46.57 o -4 0 1 2996.60 2953.04 83.31 o -3 0 1 1954.97 2134.79 47.21 o -2 0 1 6.35 5.66 9.51 o -1 0 1 7763.67 8722.80 94.12 o 1 0 1 1377.14 1598.64 40.69 o 2 0 1 4798.97 5520.64 72.61 o 3 0 1 2236.47 2431.57 49.40 o 4 0 1 4869.28 5220.79 87.16 o 5 0 1 288.90 241.20 26.28 o 6 0 1 173.49 139.75 22.28 o 7 0 1 324.89 330.85 32.91 o 8 0 1 667.96 711.71 63.80 o 9 0 1 20.26 20.32 30.45 o 10 0 1 110.83 123.97 45.28 o 11 0 1 118.23 102.03 54.24 o -10 1 1 234.19 182.13 49.09 o -9 1 1 167.21 141.77 49.25 o -8 1 1 14.77 2.13 24.63 o -7 1 1 575.64 606.72 65.76 o -6 1 1 575.91 563.45 24.06 o -5 1 1 460.52 475.62 22.72 o -4 1 1 833.00 818.65 23.53 o -3 1 1 1456.47 1530.83 28.99 o -2 1 1 63.82 84.06 10.30 o -1 1 1 14032.01 15465.61 148.68 o 1 1 1 769.87 770.36 37.16 o 2 1 1 6292.95 6950.01 118.23 o 3 1 1 10436.71 11361.67 279.88 o 4 1 1 298.63 303.69 23.71 o 5 1 1 7581.57 7828.10 123.05 o 6 1 1 2776.44 2641.66 70.75 o 7 1 1 16.46 -4.99 15.80 o 8 1 1 450.47 576.55 69.23 o 9 1 1 207.66 174.90 48.42 o 10 1 1 2.88 -31.73 31.73 o -10 2 1 24.00 22.22 40.63 o -9 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