#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:33:24 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181175 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/54/2225421.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_2225421_Fobs loop_ _publ_author_name 'Reisi, Reza' 'Misran, Misni' 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; (2-{[1,1-Bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-4-chlorophenolato-\k^3^N,O,O')dibutyltin(IV) ; _journal_coeditor_code BT5229 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m482 _journal_volume 66 _journal_year 2010 _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 91.845 _cell_angle_gamma 90.000 _cell_length_a 18.6212 _cell_length_b 13.4657 _cell_length_c 16.6949 _exptl_crystal_F_000 2000.00 _reflns_d_resolution_high 0.7696 _cod_data_source_file bt5229Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 472.57 _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 4 0 0 100637.27 102678.28 1155.04 o 6 0 0 53972.58 55017.54 570.90 o 8 0 0 35023.03 32708.05 427.23 o 10 0 0 2.59 6.37 38.50 o 12 0 0 11876.22 11121.75 205.56 o 14 0 0 101562.94 102049.95 1597.90 o 16 0 0 2267.85 2047.32 105.14 o 18 0 0 43692.54 43484.91 812.67 o 20 0 0 23575.17 24047.19 469.76 o 22 0 0 7645.20 8194.96 1071.86 o 24 0 0 119.12 229.02 58.13 o 3 1 0 58387.31 58467.19 502.63 o 5 1 0 3096.52 3099.88 32.50 o 7 1 0 12301.02 12440.60 105.25 o 9 1 0 5095.74 4923.22 67.71 o 11 1 0 29106.90 28570.05 333.04 o 13 1 0 6153.22 6260.07 94.62 o 15 1 0 7336.30 7250.64 151.93 o 17 1 0 7006.65 6844.53 135.63 o 19 1 0 1454.86 1449.71 65.46 o 21 1 0 3369.75 3537.02 92.38 o 23 1 0 4419.92 4644.77 113.77 o 0 2 0 51.97 -21.55 14.37 o 2 2 0 8249.60 9416.64 90.75 o 4 2 0 1854.87 2081.14 53.74 o 6 2 0 1424.78 1373.61 22.52 o 8 2 0 8694.94 8903.90 98.10 o 10 2 0 8292.36 8505.29 106.69 o 12 2 0 61.79 60.36 14.39 o 14 2 0 1036.10 1048.40 53.80 o 16 2 0 358.48 391.12 40.39 o 18 2 0 1649.82 1508.76 58.09 o 20 2 0 0.11 -43.96 29.30 o 22 2 0 310.35 361.18 43.57 o 24 2 0 0.50 -45.71 35.36 o 1 3 0 70545.46 73786.43 820.34 o 3 3 0 31409.53 32677.88 311.95 o 5 3 0 14537.05 14733.83 145.80 o 7 3 0 1297.10 1406.23 32.52 o 9 3 0 18953.60 19539.08 235.45 o 11 3 0 37224.78 36969.55 427.45 o 13 3 0 2138.26 2077.48 57.33 o 15 3 0 2480.89 2334.55 78.86 o 17 3 0 2986.47 3032.11 70.95 o 19 3 0 5778.90 6048.29 164.71 o 21 3 0 669.06 696.72 48.96 o 23 3 0 3735.55 3858.83 104.50 o 0 4 0 84029.41 84116.82 1276.95 o 2 4 0 68650.88 71403.33 789.21 o 4 4 0 12036.06 11443.34 113.22 o 6 4 0 170089.02 173232.98 1588.81 o 8 4 0 101980.45 104056.85 1024.29 o 10 4 0 2902.29 3123.70 57.22 o 12 4 0 28386.62 27870.08 314.61 o 14 4 0 29313.66 27920.25 321.20 o 16 4 0 8578.97 8225.28 151.93 o 18 4 0 3520.89 3503.06 86.18 o 20 4 0 22121.26 22654.16 407.85 o 22 4 0 8967.20 9427.73 286.62 o 1 5 0 6904.28 6061.27 84.19 o 3 5 0 37519.80 39247.13 411.63 o 5 5 0 23109.21 24452.97 306.09 o 7 5 0 1096.84 1400.23 91.46 o 9 5 0 38647.45 38417.75 449.12 o 11 5 0 620.28 585.73 28.32 o 13 5 0 2113.90 2250.65 50.48 o 15 5 0 132.17 42.90 21.44 o 17 5 0 16885.52 17357.09 208.98 o 19 5 0 1714.96 1773.24 66.86 o 21 5 0 757.62 673.27 49.95 o 23 5 0 9908.33 10538.76 270.57 o 0 6 0 1303.07 1105.72 45.96 o 2 6 0 12793.43 13678.54 224.15 o 4 6 0 3.07 -7.96 10.50 o 6 6 0 2189.08 1986.20 43.27 o 8 6 0 4096.79 3972.19 69.57 o 10 6 0 605.52 714.39 29.92 o 12 6 0 20.15 11.57 18.76 o 14 6 0 1431.87 1368.42 41.21 o 16 6 0 388.76 348.74 28.04 o 18 6 0 385.94 432.66 34.63 o 20 6 0 68.82 74.85 36.64 o 22 6 0 69.93 55.22 37.58 o 1 7 0 1467.50 1774.75 44.97 o 3 7 0 1812.75 1676.88 43.53 o 5 7 0 6218.16 5616.10 81.41 o 7 7 0 115.98 161.73 19.01 o 9 7 0 8654.02 8449.98 123.94 o 11 7 0 16307.67 16312.12 178.49 o 13 7 0 551.29 500.24 27.44 o 15 7 0 2332.23 2531.75 55.22 o 17 7 0 7556.99 7469.98 126.81 o 19 7 0 823.99 828.60 43.84 o 21 7 0 325.08 341.04 44.54 o 0 8 0 32131.21 31780.12 693.69 o 2 8 0 29924.46 30430.40 416.48 o 4 8 0 1229.58 1010.14 40.76 o 6 8 0 48415.86 47828.21 699.88 o 8 8 0 17447.38 17263.30 222.58 o 10 8 0 5144.74 5295.34 91.39 o 12 8 0 31378.45 31240.87 317.86 o 14 8 0 24727.47 24354.48 259.20 o 16 8 0 287.11 358.77 35.20 o 18 8 0 1106.17 1048.34 51.73 o 20 8 0 15230.68 15571.07 263.65 o 1 9 0 15609.00 15694.32 226.98 o 3 9 0 17584.70 18209.90 236.10 o 5 9 0 3466.72 3388.86 81.30 o 7 9 0 7.65 50.61 23.99 o 9 9 0 2731.54 2937.67 63.10 o 11 9 0 10563.00 10208.04 150.93 o 13 9 0 1862.26 1766.86 49.36 o 15 9 0 6892.74 6610.76 99.32 o 17 9 0 10288.70 10056.50 167.20 o 19 9 0 1075.19 1004.94 53.62 o 0 10 0 578.24 501.45 46.21 o 2 10 0 6900.08 6798.42 114.20 o 4 10 0 710.73 656.22 34.77 o 6 10 0 678.28 752.85 41.24 o 8 10 0 0.13 -35.97 24.04 o 10 10 0 234.39 128.94 29.06 o 12 10 0 1161.16 980.02 48.03 o 14 10 0 259.52 260.57 30.76 o 16 10 0 686.54 618.31 41.34 o 18 10 0 6.44 -15.88 31.02 o 1 11 0 7040.54 7049.12 137.31 o 3 11 0 7076.92 7221.12 122.74 o 5 11 0 2841.11 2785.34 66.57 o 7 11 0 13.46 16.35 23.98 o 9 11 0 20551.05 20268.31 333.60 o 11 11 0 4689.63 4974.88 120.47 o 13 11 0 640.91 809.32 51.09 o 15 11 0 2945.11 2916.59 80.68 o 17 11 0 6282.79 6132.75 136.57 o 0 12 0 19497.02 19828.61 460.57 o 2 12 0 7627.03 7437.53 146.05 o 4 12 0 2060.97 2025.42 54.95 o 6 12 0 28308.69 28263.03 457.86 o 8 12 0 21831.06 22222.12 361.57 o 10 12 0 623.90 598.46 44.78 o 12 12 0 12190.25 12423.56 233.00 o 14 12 0 11683.53 12060.90 247.42 o 16 12 0 2163.75 2062.29 90.78 o 1 13 0 89.30 90.45 46.63 o 3 13 0 7774.22 7601.90 177.64 o 5 13 0 10472.34 10454.87 227.50 o 7 13 0 250.96 314.80 35.38 o 9 13 0 4602.32 4426.92 112.86 o 11 13 0 5058.05 4993.67 125.96 o 13 13 0 34.60 41.60 32.60 o 15 13 0 1151.32 1317.91 75.73 o 0 14 0 5408.39 6144.91 340.29 o 2 14 0 1942.10 1992.01 120.31 o 4 14 0 1872.10 2042.64 118.30 o 6 14 0 199.17 117.33 56.21 o 8 14 0 396.34 338.02 64.59 o 10 14 0 1180.28 1226.46 95.53 o 12 14 0 641.40 606.25 76.63 o 14 14 0 641.97 615.74 68.51 o 1 15 0 971.00 858.19 87.93 o 3 15 0 8672.31 8846.44 284.15 o 5 15 0 3026.17 3302.54 159.95 o 7 15 0 877.79 858.50 85.58 o 9 15 0 3324.24 3300.52 162.08 o 11 15 0 4651.69 4894.34 201.48 o 0 16 0 16451.61 17086.33 602.36 o 2 16 0 1809.38 1814.83 166.73 o 4 16 0 895.89 876.91 87.78 o 6 16 0 6599.32 7331.16 259.23 o 8 16 0 8863.21 9779.70 314.70 o 1 17 0 1452.97 1583.27 111.40 o 3 17 0 4931.76 5137.03 283.73 o 5 17 0 652.06 682.41 123.39 o -23 1 1 7918.00 8856.46 171.60 o -21 1 1 12.97 25.90 31.98 o -19 1 1 538.74 665.61 76.25 o -17 1 1 8065.20 7799.50 164.68 o -15 1 1 9092.53 8989.95 145.58 o -13 1 1 8144.04 8077.87 122.79 o -11 1 1 16520.24 16219.02 199.01 o -9 1 1 27977.44 27693.27 318.71 o -7 1 1 35.75 96.00 11.15 o -5 1 1 78198.00 80432.32 694.91 o -3 1 1 61396.61 62699.82 623.73 o 3 1 1 54498.33 55052.25 434.48 o 5 1 1 45.53 55.48 9.61 o 7 1 1 3317.64 3565.12 38.38 o 9 1 1 35275.82 35753.97 358.56 o 11 1 1 25418.49 25335.08 278.10 o 13 1 1 37.16 72.79 15.43 o 15 1 1 2308.19 2473.83 67.31 o 17 1 1 31417.66 32213.04 411.69 o 19 1 1 7592.98 7405.79 135.56 o 21 1 1 735.20 708.74 47.72 o 23 1 1 3430.38 3646.59 100.06 o -24 2 1 41.45 28.11 37.78 o -22 2 1 6157.44 6221.01 209.19 o -20 2 1 16464.33 16691.88 245.91 o -18 2 1 1668.21 1624.32 73.58 o -16 2 1 1170.79 1151.38 59.45 o -14 2 1 19538.75 18892.29 256.65 o -12 2 1 53116.09 52041.79 598.16 o -10 2 1 727.62 926.17 33.83 o -8 2 1 41713.70 40657.92 431.95 o -6 2 1 111168.34 111573.62 930.33 o -4 2 1 3486.05 3334.57 68.70 o -2 2 1 83361.79 86716.25 833.51 o 0 2 1 163932.59 167017.02 2415.61 o 2 2 1 60233.72 61277.07 484.08 o 4 2 1 6745.57 6792.72 64.12 o 6 2 1 58889.51 59886.22 471.31 o 8 2 1 67489.05 69645.55 596.83 o 10 2 1 715.79 742.13 36.90 o 12 2 1 24915.61 23910.86 294.77 o 14 2 1 65136.00 62732.64 676.10 o 16 2 1 59.48 50.65 25.68 o 18 2 1 12282.74 11893.38 182.32 o 20 2 1 21398.42 21518.73 366.52 o 22 2 1 9191.20 9555.08 312.76 o -23 3 1 8061.12 8343.09 175.26 o -21 3 1 3254.62 3317.95 91.60 o -19 3 1 5097.34 4854.91 114.76 o -17 3 1 7171.04 7199.66 134.78 o -15 3 1 13.03 18.86 25.98 o -13 3 1 266.72 229.72 21.50 o -11 3 1 18818.98 17483.84 206.97 o -9 3 1 73675.95 75840.30 752.42 o -7 3 1 30996.58 32142.23 293.02 o -5 3 1 80277.16 82373.89 798.07 o -3 3 1 142894.30 146401.05 1402.11 o -1 3 1 12984.41 14285.97 148.75 o 1 3 1 23828.33 24779.94 248.61 o 3 3 1 14383.95 14453.27 131.38 o 5 3 1 35708.30 34689.55 288.06 o 7 3 1 3143.09 4001.39 51.21 o 9 3 1 30308.90 30198.73 302.69 o 11 3 1 32298.80 31743.40 346.57 o 13 3 1 5940.03 5656.90 83.16 o 15 3 1 8860.96 8650.88 128.07 o 17 3 1 9226.57 9029.03 147.33 o 19 3 1 749.64 781.10 46.27 o 21 3 1 2635.92 2732.26 82.32 o 23 3 1 8813.73 9318.09 243.47 o -22 4 1 238.31 224.72 40.87 o -20 4 1 490.88 451.86 43.70 o -18 4 1 5.47 30.64 30.96 o -16 4 1 516.48 481.65 36.83 o -14 4 1 320.69 207.10 24.78 o -12 4 1 2085.77 2011.95 51.56 o -10 4 1 2321.76 2384.80 45.42 o -8 4 1 1781.72 2066.27 40.01 o -6 4 1 36331.72 39208.24 487.12 o -4 4 1 4126.69 4301.42 56.67 o -2 4 1 1.71 15.97 7.46 o 0 4 1 14570.21 15713.47 188.10 o 2 4 1 625.64 783.45 30.92 o 4 4 1 10096.39 10263.60 101.78 o 6 4 1 27642.96 28430.28 237.25 o 8 4 1 922.94 997.72 41.10 o 10 4 1 2037.46 2061.22 42.59 o 12 4 1 658.55 689.41 30.74 o 14 4 1 8.65 -0.46 19.02 o 16 4 1 2667.71 2557.70 59.54 o 18 4 1 1804.63 1800.58 58.84 o 20 4 1 52.59 45.68 32.62 o 22 4 1 180.23 175.53 38.16 o -23 5 1 4810.94 5101.08 192.33 o -21 5 1 1476.16 1405.47 62.80 o -19 5 1 2195.06 2169.25 72.68 o -17 5 1 19110.67 18685.75 359.41 o -15 5 1 6754.29 6702.14 112.00 o -13 5 1 6731.85 6561.85 131.67 o -11 5 1 22461.82 21802.16 252.58 o -9 5 1 9863.51 9489.97 123.04 o -7 5 1 1369.33 1320.58 80.31 o -5 5 1 7445.62 7618.76 102.91 o -3 5 1 30874.82 32338.72 313.23 o -1 5 1 7412.11 8290.60 112.22 o 1 5 1 17349.41 18254.07 202.72 o 3 5 1 66125.24 67084.04 638.63 o 5 5 1 7990.09 7904.98 92.18 o 7 5 1 14948.31 16034.44 184.07 o 9 5 1 11976.66 11375.12 140.81 o 11 5 1 23893.98 23059.46 236.38 o 13 5 1 641.57 640.40 30.02 o 15 5 1 1440.93 1513.70 43.79 o 17 5 1 10845.07 11125.73 161.53 o 19 5 1 1205.83 1207.86 55.69 o 21 5 1 1011.62 1058.30 56.61 o 23 5 1 601.34 517.23 55.21 o -22 6 1 3166.04 3326.68 123.86 o -20 6 1 10606.64 10793.79 224.42 o -18 6 1 5044.14 5155.24 97.28 o -16 6 1 5046.66 4823.79 101.87 o -14 6 1 48346.43 47546.48 564.92 o -12 6 1 12138.44 11896.19 155.71 o -10 6 1 123.89 174.81 20.72 o -8 6 1 50163.70 48942.50 618.28 o -6 6 1 65947.87 65824.93 816.48 o -4 6 1 22.17 21.82 15.58 o -2 6 1 7684.37 8240.50 208.55 o 0 6 1 59756.41 60364.58 775.87 o 2 6 1 14580.08 14837.32 212.12 o 4 6 1 24896.59 26138.33 316.96 o 6 6 1 87981.62 91043.64 957.07 o 8 6 1 39026.79 37650.07 413.25 o 10 6 1 271.90 257.42 20.85 o 12 6 1 29102.65 28450.81 288.85 o 14 6 1 11199.96 11607.65 139.72 o 16 6 1 3162.63 3315.07 96.55 o 18 6 1 7236.11 7130.12 118.96 o 20 6 1 12410.39 12554.27 288.86 o 22 6 1 1309.15 1364.73 65.68 o -21 7 1 376.46 390.87 45.48 o -19 7 1 4441.01 4303.95 103.30 o -17 7 1 8083.38 8009.13 128.63 o -15 7 1 2008.37 2269.33 58.24 o -13 7 1 220.97 242.30 25.42 o -11 7 1 22136.87 22007.29 260.11 o -9 7 1 7628.19 6973.83 118.75 o -7 7 1 4646.39 5116.53 102.28 o -5 7 1 7218.94 7010.94 107.78 o -3 7 1 56785.55 58225.43 981.22 o -1 7 1 1705.22 1363.18 43.69 o 1 7 1 2768.19 2498.17 50.91 o 3 7 1 7593.09 7738.79 135.59 o 5 7 1 34577.54 34830.88 461.34 o 7 7 1 6214.82 6322.71 96.18 o 9 7 1 1778.83 1714.63 63.22 o 11 7 1 14061.13 13505.48 161.94 o 13 7 1 539.25 591.39 32.87 o 15 7 1 11856.01 11713.95 144.34 o 17 7 1 5341.79 5220.86 86.39 o 19 7 1 3834.39 3609.21 107.15 o 21 7 1 114.95 140.86 37.89 o -20 8 1 18.97 42.39 36.92 o -18 8 1 477.41 482.33 38.04 o -16 8 1 283.98 273.79 27.89 o -14 8 1 526.08 452.10 31.40 o -12 8 1 391.92 340.43 25.53 o -10 8 1 399.92 422.56 33.76 o -8 8 1 25.33 -16.70 16.85 o -6 8 1 427.22 390.23 22.54 o -4 8 1 11.34 45.65 20.64 o -2 8 1 503.28 407.96 37.65 o 0 8 1 924.58 1279.32 76.47 o 2 8 1 36.61 -2.62 13.94 o 4 8 1 1608.95 1658.95 60.39 o 6 8 1 680.86 669.93 37.72 o 8 8 1 2464.53 2712.62 59.15 o 10 8 1 2136.70 1960.81 53.45 o 12 8 1 31.18 8.25 19.62 o 14 8 1 194.87 148.55 23.68 o 16 8 1 336.62 301.81 27.52 o 18 8 1 42.52 18.43 25.91 o 20 8 1 1.93 -36.90 32.82 o -19 9 1 2193.51 2322.89 151.23 o -17 9 1 12119.17 11892.21 252.71 o -15 9 1 3100.09 3091.68 73.66 o -13 9 1 89.90 86.15 21.14 o -11 9 1 21458.57 21255.10 335.99 o -9 9 1 3915.99 4025.15 70.83 o -7 9 1 125.92 99.46 27.27 o -5 9 1 3641.73 3797.59 77.69 o -3 9 1 55106.99 56624.30 682.87 o -1 9 1 1930.31 2236.48 54.02 o 1 9 1 5977.66 5947.65 101.16 o 3 9 1 19832.12 19808.91 248.19 o 5 9 1 8853.74 8731.76 158.71 o 7 9 1 3326.55 3617.79 126.13 o 9 9 1 10098.70 10375.12 164.79 o 11 9 1 10635.13 10225.62 151.90 o 13 9 1 2250.81 1971.87 51.90 o 15 9 1 12503.54 12339.99 162.44 o 17 9 1 3848.24 3545.21 82.76 o 19 9 1 2054.96 2084.69 72.74 o -18 10 1 4140.90 4168.35 110.71 o -16 10 1 1529.24 1735.60 77.19 o -14 10 1 24875.89 23688.37 396.41 o -12 10 1 7812.32 7715.01 140.96 o -10 10 1 503.58 519.53 29.11 o -8 10 1 10064.57 10152.88 184.38 o -6 10 1 17108.80 17164.55 278.54 o -4 10 1 2.97 34.56 17.49 o -2 10 1 9443.63 9259.33 127.56 o 0 10 1 49206.67 48568.71 738.75 o 2 10 1 14725.59 14587.58 232.83 o 4 10 1 12650.44 12451.38 185.75 o 6 10 1 15999.01 16547.08 319.16 o 8 10 1 34431.67 34705.43 530.81 o 10 10 1 294.65 348.82 28.72 o 12 10 1 11195.68 11527.02 189.85 o 14 10 1 10652.66 10421.96 154.89 o 16 10 1 1636.29 1629.81 57.46 o 18 10 1 3242.56 3298.90 129.19 o -17 11 1 6464.83 6563.49 143.40 o -15 11 1 2861.80 2820.60 80.16 o -13 11 1 1237.38 1165.37 52.07 o -11 11 1 9504.14 9330.25 182.20 o -9 11 1 2551.78 2356.37 74.87 o -7 11 1 830.57 940.17 48.06 o -5 11 1 1747.04 1817.21 63.50 o -3 11 1 1087.63 955.50 33.96 o -1 11 1 2057.24 2086.87 62.34 o 1 11 1 950.98 970.13 55.37 o 3 11 1 18046.29 17831.74 252.03 o 5 11 1 2966.08 2832.18 67.21 o 7 11 1 142.63 154.66 30.39 o 9 11 1 8606.49 8766.60 173.63 o 11 11 1 5901.34 5917.16 136.68 o 13 11 1 217.21 186.82 39.08 o 15 11 1 796.53 819.60 43.88 o 17 11 1 1990.25 2100.35 79.99 o -16 12 1 2137.08 2334.69 85.91 o -14 12 1 1403.36 1575.43 69.98 o -12 12 1 0.03 -9.24 34.04 o -10 12 1 1775.42 1826.67 69.91 o -8 12 1 28.18 -38.51 36.07 o -6 12 1 8.91 2.83 23.44 o -4 12 1 4049.70 4208.11 107.23 o -2 12 1 434.56 448.26 33.02 o 0 12 1 5765.92 5699.36 118.56 o 2 12 1 2209.99 2263.97 63.19 o 4 12 1 26.43 34.15 19.75 o 6 12 1 193.02 176.70 38.56 o 8 12 1 192.03 216.44 35.98 o 10 12 1 482.92 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