#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/29/2212907.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_2212907_Fobs loop_ _publ_author_name 'Shuja, Shaukat' 'Ali, Saqib' 'Meetsma, Auke' 'Broker, Grant A.' 'Tiekink, Edward R. T.' _publ_section_title ; [N-Formyl-N'-(2-oxidobenzylidene)hydrazine-\k^3^O,N,O']diphenyltin(IV) ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1130 _journal_page_last m1132 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 77.277 _cell_angle_beta 74.324 _cell_angle_gamma 68.869 _cell_length_a 8.9903 _cell_length_b 9.0639 _cell_length_c 11.8622 _exptl_crystal_F_000 432.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file hb2334Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' DATNAM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 205.96 _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 14114.29 8579.98 109.19 o 2 0 0 26.81 40.08 2.25 o 3 0 0 654.87 645.08 6.97 o 4 0 0 1389.91 1423.00 19.70 o 5 0 0 4100.91 4326.26 93.97 o 6 0 0 3499.63 3502.80 45.79 o 7 0 0 1578.16 1611.06 42.30 o 8 0 0 600.75 635.67 35.19 o 9 0 0 413.94 423.94 18.78 o 10 0 0 102.44 103.24 6.89 o -9 1 0 664.73 703.49 16.21 o -8 1 0 733.26 753.02 37.08 o -7 1 0 153.43 150.25 6.27 o -6 1 0 6.15 9.73 2.15 o -5 1 0 136.40 115.98 3.63 o -4 1 0 3846.48 3790.56 55.55 o -3 1 0 10904.82 10629.63 196.60 o -2 1 0 3644.54 3537.15 61.64 o -1 1 0 6489.35 6142.62 145.98 o 0 1 0 1905.33 1338.67 18.12 o 1 1 0 87.73 67.65 14.59 o 2 1 0 264.62 244.12 11.06 o 3 1 0 2219.51 2110.84 63.39 o 4 1 0 2044.79 1918.51 40.31 o 5 1 0 3750.60 3769.23 83.03 o 6 1 0 2965.57 3104.67 71.23 o 7 1 0 901.93 936.69 12.29 o 8 1 0 25.11 19.46 2.34 o 9 1 0 199.69 209.35 6.58 o 10 1 0 344.53 346.55 17.44 o -9 2 0 217.29 195.19 16.39 o -8 2 0 152.84 130.28 6.78 o -7 2 0 1122.63 1030.16 17.80 o -6 2 0 1382.27 1341.57 19.55 o -5 2 0 1152.81 1071.98 15.92 o -4 2 0 3203.23 3139.01 26.67 o -3 2 0 7164.84 7466.18 86.16 o -2 2 0 1921.45 1985.81 41.75 o -1 2 0 405.52 464.33 10.70 o 0 2 0 51.66 89.62 33.94 o 1 2 0 3099.65 3060.67 62.67 o 2 2 0 42420.33 35290.04 332.33 o 3 2 0 11442.89 11059.24 190.96 o 4 2 0 824.58 788.21 14.64 o 5 2 0 38.81 38.83 3.83 o 6 2 0 250.65 249.48 7.32 o 7 2 0 1946.37 2015.03 24.85 o 8 2 0 2132.10 2183.04 33.22 o 9 2 0 562.96 588.40 14.20 o 10 2 0 290.15 300.90 10.87 o -8 3 0 1127.98 1074.12 20.25 o -7 3 0 1317.18 1314.74 21.37 o -6 3 0 607.82 613.49 13.25 o -5 3 0 210.99 192.67 6.80 o -4 3 0 153.54 136.85 5.36 o -3 3 0 669.36 666.60 13.31 o -2 3 0 4622.69 4851.64 191.45 o -1 3 0 9693.59 9635.62 489.96 o 0 3 0 5321.66 5245.77 172.68 o 1 3 0 1387.93 1326.66 12.33 o 2 3 0 197.71 172.92 5.10 o 3 3 0 139.08 150.38 4.40 o 4 3 0 1530.46 1481.50 25.57 o 5 3 0 3141.33 3106.09 23.03 o 6 3 0 2560.75 2157.11 388.30 o 7 3 0 760.10 745.34 47.71 o 8 3 0 141.98 135.83 10.11 o 9 3 0 502.98 511.98 21.78 o 10 3 0 13.74 17.28 3.80 o -8 4 0 315.43 282.18 10.73 o -7 4 0 257.60 219.74 8.85 o -6 4 0 17.32 14.46 3.44 o -5 4 0 180.28 155.42 6.69 o -4 4 0 2152.46 2144.83 101.23 o -3 4 0 2336.44 2317.24 130.08 o -2 4 0 2345.43 2426.67 117.02 o -1 4 0 4961.34 5226.43 263.86 o 0 4 0 1237.35 1262.51 45.69 o 1 4 0 99.56 91.28 2.28 o 2 4 0 904.58 832.18 18.07 o 3 4 0 5277.44 5446.32 47.15 o 4 4 0 14100.69 14379.73 203.22 o 5 4 0 5900.48 5861.77 149.69 o 6 4 0 710.76 702.45 13.06 o 7 4 0 88.77 83.05 7.60 o 8 4 0 139.74 127.56 6.38 o 9 4 0 888.40 896.90 18.41 o 10 4 0 2078.99 2173.97 32.37 o -7 5 0 469.94 407.35 21.51 o -6 5 0 1224.82 1187.93 51.85 o -5 5 0 1383.48 1382.75 61.35 o -4 5 0 475.11 475.77 26.59 o -3 5 0 114.40 104.33 7.28 o -2 5 0 28.36 26.21 2.71 o -1 5 0 800.91 781.33 21.31 o 0 5 0 2075.45 2046.23 55.50 o 1 5 0 5578.48 5375.87 149.61 o 2 5 0 3937.00 4028.68 68.04 o 3 5 0 2190.80 2270.30 24.50 o 4 5 0 169.04 149.67 5.31 o 5 5 0 112.69 106.46 4.00 o 6 5 0 534.06 510.62 9.27 o 7 5 0 1751.55 1770.28 46.64 o 8 5 0 1630.05 1621.48 68.67 o 9 5 0 916.62 937.99 19.09 o 10 5 0 511.42 526.32 14.90 o -6 6 0 230.13 188.08 15.27 o -5 6 0 6.45 10.70 4.74 o -4 6 0 478.51 447.99 12.98 o -3 6 0 430.24 376.23 36.96 o -2 6 0 1248.14 1177.32 116.07 o -1 6 0 1334.16 1317.88 99.58 o 0 6 0 1084.70 1015.21 60.57 o 1 6 0 2289.77 2313.94 82.42 o 2 6 0 1035.28 1093.45 15.70 o 3 6 0 172.75 167.45 5.75 o 4 6 0 1354.76 1307.20 18.36 o 5 6 0 1369.49 1387.49 19.92 o 6 6 0 4896.66 4890.30 114.88 o 7 6 0 3678.98 3727.51 57.64 o 8 6 0 374.35 379.67 11.55 o 9 6 0 0.83 3.45 2.49 o 10 6 0 11.45 11.70 3.38 o -5 7 0 696.32 641.92 64.03 o -4 7 0 2181.56 2150.57 156.76 o -3 7 0 967.31 972.98 26.50 o -2 7 0 444.92 462.28 45.78 o -1 7 0 378.20 337.15 36.44 o 0 7 0 21.05 27.40 2.86 o 1 7 0 643.86 652.75 19.73 o 2 7 0 2950.97 3045.80 31.99 o 3 7 0 6382.48 6644.61 59.91 o 4 7 0 1317.31 1342.21 21.65 o 5 7 0 628.07 630.15 14.45 o 6 7 0 255.09 230.30 8.20 o 7 7 0 98.10 78.07 4.34 o 8 7 0 322.19 303.96 10.61 o 9 7 0 877.82 857.09 19.19 o -4 8 0 256.38 209.57 25.43 o -3 8 0 32.17 22.19 4.53 o -2 8 0 40.12 47.47 4.53 o -1 8 0 918.03 860.08 39.06 o 0 8 0 2189.33 2203.95 44.45 o 1 8 0 1011.74 1048.49 27.82 o 2 8 0 954.67 982.71 26.25 o 3 8 0 1061.05 1069.10 27.36 o 4 8 0 596.45 588.79 12.79 o 5 8 0 0.49 2.53 2.05 o 6 8 0 662.98 655.67 25.58 o 7 8 0 610.28 566.33 22.98 o 8 8 0 2236.47 2129.35 45.54 o 9 8 0 1987.67 1590.60 378.70 o -2 9 0 1161.35 1127.68 33.57 o -1 9 0 1015.92 1075.92 31.85 o 0 9 0 425.09 477.96 19.98 o 1 9 0 179.76 185.21 12.20 o 2 9 0 10.92 14.20 4.82 o 3 9 0 5.71 11.52 4.35 o 4 9 0 705.99 696.95 22.90 o 5 9 0 3184.98 3252.60 100.59 o 6 9 0 1173.21 1172.99 21.32 o 7 9 0 447.36 451.69 37.02 o 8 9 0 73.03 58.71 8.42 o 0 10 0 21.63 25.11 6.71 o 1 10 0 449.68 432.12 19.80 o 2 10 0 1117.09 1199.59 33.14 o 3 10 0 331.30 380.11 16.23 o 4 10 0 224.32 303.56 13.66 o 5 10 0 419.12 447.67 18.34 o 6 10 0 122.70 241.60 9.60 o -6 -10 1 759.25 886.54 25.75 o -5 -10 1 688.91 768.54 24.01 o -4 -10 1 420.03 498.15 18.19 o -2 -10 1 160.97 225.83 11.17 o -1 -10 1 764.48 807.81 27.07 o 0 -10 1 1221.65 1333.75 36.17 o -8 -9 1 511.48 560.62 55.06 o -7 -9 1 801.34 787.59 34.41 o -6 -9 1 85.35 94.54 7.49 o -5 -9 1 49.51 48.83 4.43 o -4 -9 1 360.28 348.15 15.70 o -3 -9 1 958.36 953.42 27.57 o -2 -9 1 1753.11 1797.65 40.31 o -1 -9 1 1192.13 1179.68 31.89 o 0 -9 1 723.84 719.85 24.90 o 1 -9 1 237.56 267.68 14.09 o 2 -9 1 40.85 47.16 8.31 o -9 -8 1 2.59 5.70 3.34 o -8 -8 1 1.72 3.33 2.96 o -7 -8 1 11.16 13.47 3.15 o -6 -8 1 356.02 343.74 10.69 o -5 -8 1 2139.74 2151.49 83.27 o -4 -8 1 1114.01 1105.42 18.64 o -3 -8 1 463.92 455.56 17.23 o -2 -8 1 751.67 738.82 22.47 o -1 -8 1 34.59 33.85 5.71 o 0 -8 1 14.61 18.48 4.96 o 1 -8 1 914.95 909.23 27.22 o 2 -8 1 1776.23 1620.39 174.16 o 3 -8 1 544.62 511.80 47.98 o 4 -8 1 355.73 340.95 11.57 o -9 -7 1 224.50 233.48 10.10 o -8 -7 1 1451.23 1422.12 47.59 o -7 -7 1 1485.42 1418.10 26.36 o -6 -7 1 951.06 957.27 27.02 o -5 -7 1 655.47 644.57 13.50 o -4 -7 1 20.48 20.59 2.87 o -3 -7 1 38.63 37.42 3.38 o -2 -7 1 1183.56 1270.88 28.43 o -1 -7 1 1444.86 1487.81 32.21 o 0 -7 1 1252.88 1289.52 30.18 o 1 -7 1 1700.67 1566.75 95.21 o 2 -7 1 644.56 574.84 59.23 o 3 -7 1 1.00 1.26 2.15 o 4 -7 1 120.69 103.26 6.34 o 5 -7 1 169.63 157.24 11.06 o -10 -6 1 540.93 565.29 15.84 o -9 -6 1 897.56 938.30 19.68 o -8 -6 1 1006.34 1003.38 19.57 o -7 -6 1 54.49 57.81 6.51 o -6 -6 1 185.48 155.59 5.31 o -5 -6 1 74.12 67.31 4.23 o -4 -6 1 125.57 119.44 5.20 o -3 -6 1 3229.92 3308.67 33.96 o -2 -6 1 3938.66 3922.39 53.52 o -1 -6 1 1566.96 1533.10 54.55 o 0 -6 1 290.49 240.33 14.09 o 1 -6 1 4.30 5.55 1.78 o 2 -6 1 217.65 195.27 14.87 o 3 -6 1 2380.81 2401.33 168.03 o 4 -6 1 2126.54 2046.48 178.14 o 5 -6 1 801.97 737.41 52.22 o 6 -6 1 472.54 455.55 35.06 o -10 -5 1 438.58 464.92 14.22 o -9 -5 1 115.08 119.64 6.98 o -8 -5 1 9.04 12.08 2.88 o -7 -5 1 105.27 97.74 5.47 o -6 -5 1 2162.55 2178.95 22.89 o -5 -5 1 4319.29 4302.73 71.26 o -4 -5 1 1233.48 1197.79 20.92 o -3 -5 1 1293.88 1285.32 16.80 o -2 -5 1 576.83 570.42 30.51 o -1 -5 1 551.62 544.19 29.60 o 0 -5 1 5676.99 6034.37 177.31 o 1 -5 1 2779.57 2700.02 147.52 o 2 -5 1 1659.19 1601.74 105.78 o 3 -5 1 1801.76 1797.54 142.92 o 4 -5 1 1425.99 1319.02 92.83 o 5 -5 1 301.51 246.21 16.68 o 6 -5 1 212.41 190.12 13.11 o 7 -5 1 428.17 411.88 12.81 o -10 -4 1 25.68 27.25 4.45 o -9 -4 1 1459.35 1454.97 40.99 o -8 -4 1 1735.60 1763.79 25.74 o -7 -4 1 260.13 260.34 8.36 o -6 -4 1 1757.24 1762.95 23.09 o -5 -4 1 42.02 40.14 2.48 o -4 -4 1 1784.47 1944.11 22.05 o -3 -4 1 339.59 335.27 7.19 o -2 -4 1 548.66 521.64 8.69 o -1 -4 1 4050.75 4032.04 131.03 o 0 -4 1 3043.05 2910.69 99.99 o 1 -4 1 2659.03 2727.72 132.56 o 2 -4 1 736.80 706.98 42.31 o 3 -4 1 149.58 137.98 17.85 o 4 -4 1 17.56 18.20 3.30 o 5 -4 1 2708.02 2709.89 166.17 o 6 -4 1 1908.24 1919.31 26.68 o 7 -4 1 961.29 936.73 33.60 o 8 -4 1 604.35 579.60 15.44 o -10 -3 1 827.60 877.72 19.25 o -9 -3 1 1378.43 1418.76 30.55 o -8 -3 1 259.26 251.42 8.74 o -7 -3 1 17.31 19.85 4.96 o -6 -3 1 95.78 65.10 14.57 o -5 -3 1 534.44 500.41 6.69 o -4 -3 1 4198.23 4152.14 53.42 o -3 -3 1 14018.91 14287.92 110.67 o -2 -3 1 4190.34 4336.85 37.35 o -1 -3 1 993.64 974.81 27.85 o 0 -3 1 1239.77 1328.86 35.96 o 1 -3 1 189.53 187.56 12.91 o 2 -3 1 7301.56 7899.37 404.36 o 3 -3 1 4875.71 5158.74 160.98 o 4 -3 1 2936.87 2843.22 74.20 o 5 -3 1 1016.21 1013.21 36.47 o 6 -3 1 322.82 298.46 9.11 o 7 -3 1 245.68 210.09 8.23 o 8 -3 1 19.70 26.42 4.15 o -10 -2 1 155.24 162.37 8.22 o -9 -2 1 0.74 1.52 2.33 o -8 -2 1 15.30 15.33 2.92 o -7 -2 1 2408.56 2483.24 55.27 o -6 -2 1 4753.40 4842.31 86.83 o -5 -2 1 1832.16 1804.01 27.37 o -4 -2 1 6030.35 6132.31 115.88 o -3 -2 1 364.81 305.59 7.85 o -2 -2 1 6588.32 7055.84 56.30 o -1 -2 1 1274.51 1386.64 13.75 o 0 -2 1 1801.70 1778.25 64.69 o 1 -2 1 7997.30 8089.55 243.94 o 2 -2 1 3669.19 3723.54 105.87 o 3 -2 1 2290.54 2206.20 30.74 o 4 -2 1 706.40 679.04 12.30 o 5 -2 1 0.04 2.07 1.09 o 6 -2 1 157.16 138.34 5.88 o 7 -2 1 1070.33 1050.33 18.13 o 8 -2 1 1068.81 1093.02 34.76 o 9 -2 1 954.79 1006.36 37.74 o -10 -1 1 124.54 124.85 10.77 o -9 -1 1 921.16 1002.75 42.65 o -8 -1 1 1376.13 1424.51 31.28 o -7 -1 1 2693.39 2773.39 53.40 o -6 -1 1 1522.88 1500.06 16.55 o -5 -1 1 396.29 415.27 6.55 o -4 -1 1 21.32 15.66 1.37 o -3 -1 1 964.83 887.69 19.73 o -2 -1 1 4779.31 4370.48 412.14 o -1 -1 1 6658.79 6866.40 66.62 o 0 -1 1 10101.22 9583.71 77.57 o 1 -1 1 9833.56 9369.14 136.79 o 2 -1 1 750.43 765.48 11.47 o 3 -1 1 30.19 39.41 2.40 o 4 -1 1 4364.56 4256.54 30.02 o 5 -1 1 5845.61 5800.71 113.49 o 6 -1 1 1737.99 1692.96 17.08 o 7 -1 1 1173.65 1159.55 25.26 o 8 -1 1 525.63 508.62 28.39 o 9 -1 1 29.57 30.75 4.22 o -9 0 1 587.90 613.44 29.38 o -8 0 1 278.35 278.87 12.82 o -7 0 1 58.67 63.16 3.93 o -6 0 1 342.25 330.95 9.12 o -5 0 1 4964.78 5161.40 108.14 o -4 0 1 3111.82 2931.08 53.04 o -3 0 1 1120.28 1002.01 9.28 o -2 0 1 6061.54 5807.67 230.47 o -1 0 1 33.63 51.37 13.87 o 1 0 1 4607.49 4335.40 65.04 o 2 0 1 2421.00 2246.33 30.21 o 3 0 1 2502.14 2339.02 20.30 o 4 0 1 3428.97 3278.96 27.68 o 5 0 1 506.57 433.76 6.89 o 6 0 1 179.26 170.25 4.75 o 7 0 1 27.95 31.28 3.49 o 8 0 1 226.07 223.58 8.48 o 9 0 1 956.40 1005.98 34.32 o 10 0 1 634.98 696.82 23.17 o -9 1 1 67.98 52.94 5.01 o -8 1 1 43.59 42.79 4.21 o -7 1 1 1583.07 1549.91 47.71 o -6 1 1 2887.52 2872.49 62.58 o -5 1 1 2071.66 1987.49 48.52 o -4 1 1 773.44 655.13 8.09 o -3 1 1 928.96 972.44 9.37 o -2 1 1 52.38 38.82 4.75 o -1 1 1 1509.87 1561.64 13.99 o 1 1 1 9907.84 9719.60 77.66 o 2 1 1 3846.02 3785.34 81.92 o 3 1 1 913.83 866.53 15.98 o 4 1 1 25.68 18.80 1.53 o 5 1 1 3.77 13.83 1.95 o 6 1 1 3564.79 3591.51 64.51 o 7 1 1 4109.03 4263.72 58.68 o 8 1 1 1066.58 1112.05 21.27 o 9 1 1 640.80 671.94 11.77 o 10 1 1 289.86 281.80 15.62 o -9 2 1 831.71 879.97 36.47 o -8 2 1 1241.44 1255.06 21.29 o -7 2 1 1180.80 1133.47 21.30 o -6 2 1 409.49 376.98 9.67 o -5 2 1 62.77 64.58 3.91 o -4 2 1 344.55 331.48 5.59 o -3 2 1 7762.06 8039.10 50.73 o -2 2 1 9381.25 9680.08 59.71 o -1 2 1 1831.06 1877.33 88.91 o 0 2 1 3303.71 3457.87 65.28 o 1 2 1 317.37 302.81 4.62 o 2 2 1 3753.37 4007.23 49.63 o 3 2 1 12114.67 12755.84 207.82 o 4 2 1 1793.80 1755.44 36.29 o 5 2 1 2172.89 2129.60 59.71 o 6 2 1 4275.77 4180.53 71.58 o 7 2 1 1231.58 1238.57 14.14 o 8 2 1 0.72 4.26 1.76 o 9 2 1 82.44 76.87 7.22 o 10 2 1 118.29 124.33 8.10 o -8 3 1 54.51 46.74 4.94 o -7 3 1 50.46 37.20 4.13 o -6 3 1 220.88 212.59 7.72 o -5 3 1 1475.38 1455.78 20.29 o -4 3 1 1668.27 1728.29 22.78 o -3 3 1 3194.42 3153.87 162.61 o -2 3 1 1413.09 1376.81 62.26 o -1 3 1 173.49 188.01 19.19 o 0 3 1 48.22 33.45 1.94 o 1 3 1 1523.83 1563.44 11.77 o 2 3 1 2013.98 2008.08 20.56 o 3 3 1 8532.00 8553.13 143.42 o 4 3 1 11554.85 11830.74 89.17 o 5 3 1 1449.27 1429.35 13.04 o 6 3 1 273.48 234.28 9.81 o 7 3 1 3.50 6.75 1.46 o 8 3 1 3136.56 3192.93 36.96 o 9 3 1 1891.74 1930.68 37.65 o 10 3 1 627.99 692.01 16.62 o -8 4 1 486.89 483.23 13.92 o -7 4 1 902.32 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