#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:23:13 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181228 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/06/2230678.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_2230678_Fobs loop_ _publ_author_name 'Affan, Md. Abu' 'Sam, Norrihan B.' 'Ahmad, Fasihuddin B.' 'White, Fraser' 'Tiekink, Edward R. T.' _publ_section_title ; {4-Hydroxy-N'-[(2E,3Z)-4-oxido-4-phenylbut-3-en-2-ylidene]benzohydrazidato}dimethyltin(IV) ; _journal_coeditor_code HB5915 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m965 _journal_volume 67 _journal_year 2011 _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 93.025 _cell_angle_gamma 90.000 _cell_length_a 8.0784 _cell_length_b 20.5410 _cell_length_c 11.1678 _exptl_crystal_F_000 888.00 _reflns_d_resolution_high 0.8506 _cod_data_source_file hb5915Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a57' _shelx_refln_list_code 4 _shelx_f_calc_maximum 269.64 _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 9493.45 8345.33 231.23 o 2 0 0 543.76 539.31 46.88 o 3 0 0 7652.50 7942.69 282.32 o 4 0 0 3008.87 3159.74 172.57 o 5 0 0 7236.92 7514.50 319.31 o 6 0 0 1028.85 902.57 58.91 o 7 0 0 1988.79 1473.54 332.41 o 8 0 0 6661.68 6910.10 342.78 o 9 0 0 286.03 361.41 62.21 o 1 1 0 46.60 27.66 6.41 o 2 1 0 3003.68 3186.16 92.37 o 3 1 0 215.03 219.24 27.18 o 4 1 0 429.17 483.65 44.60 o 5 1 0 0.30 11.75 22.64 o 6 1 0 33.22 52.88 12.64 o 7 1 0 14.16 45.75 27.42 o 8 1 0 2.90 -1.62 34.02 o 9 1 0 66.89 85.70 35.09 o 1 2 0 4341.90 4406.71 74.57 o 2 2 0 72708.37 64151.23 1713.81 o 3 2 0 6974.19 6718.54 206.55 o 4 2 0 496.26 539.40 46.94 o 5 2 0 11245.56 11931.39 310.46 o 6 2 0 10646.72 10538.39 251.36 o 7 2 0 1172.95 1048.06 86.97 o 8 2 0 2613.76 2776.17 142.33 o 9 2 0 537.69 543.47 75.01 o 1 3 0 1187.76 1139.54 33.90 o 2 3 0 18076.42 18190.45 352.23 o 3 3 0 3.30 15.63 11.28 o 4 3 0 680.25 676.36 52.23 o 5 3 0 598.34 614.36 56.38 o 6 3 0 176.69 177.46 23.55 o 7 3 0 787.52 762.68 75.29 o 8 3 0 0.50 10.55 24.27 o 9 3 0 177.67 121.28 40.79 o 1 4 0 2561.67 2717.41 66.01 o 2 4 0 17496.65 16555.54 465.88 o 3 4 0 17711.42 17544.60 364.03 o 4 4 0 356.52 340.50 37.87 o 5 4 0 10277.75 10361.37 295.42 o 6 4 0 3062.82 3085.53 120.25 o 7 4 0 73.42 64.50 28.33 o 8 4 0 3415.99 3656.63 237.94 o 9 4 0 337.31 396.86 66.77 o 1 5 0 2819.89 2811.34 70.72 o 2 5 0 6143.75 6238.39 170.78 o 3 5 0 39.78 56.68 14.94 o 4 5 0 2869.32 3006.98 208.45 o 5 5 0 7.05 27.30 17.73 o 6 5 0 1269.61 1246.05 74.99 o 7 5 0 601.93 560.12 69.46 o 8 5 0 11.80 42.02 35.75 o 9 5 0 488.08 413.85 64.11 o 1 6 0 3726.44 3699.03 90.50 o 2 6 0 8018.08 7412.91 163.01 o 3 6 0 24167.29 25209.22 735.55 o 4 6 0 2803.16 2982.38 182.63 o 5 6 0 5834.61 5831.25 323.00 o 6 6 0 2590.38 2599.38 111.04 o 7 6 0 80.90 37.73 40.95 o 8 6 0 3294.20 3316.79 224.25 o 9 6 0 164.61 182.24 42.96 o 1 7 0 3785.31 3798.53 96.18 o 2 7 0 970.35 977.61 40.84 o 3 7 0 861.03 892.46 85.68 o 4 7 0 7133.77 7195.39 314.92 o 5 7 0 1179.48 1208.67 88.26 o 6 7 0 2008.08 2204.95 146.94 o 7 7 0 947.33 959.79 128.43 o 8 7 0 6.57 20.18 38.31 o 9 7 0 20.86 -1.27 20.07 o 0 8 0 6338.71 6068.68 188.23 o 1 8 0 4240.04 4403.12 111.11 o 2 8 0 9127.27 8757.67 190.88 o 3 8 0 10567.75 10599.00 383.76 o 4 8 0 186.50 259.23 57.05 o 5 8 0 4992.85 5042.63 194.33 o 6 8 0 366.01 431.68 56.72 o 7 8 0 680.43 543.89 92.13 o 8 8 0 1073.23 1183.45 125.04 o 1 9 0 3540.66 3533.37 98.49 o 2 9 0 1082.10 969.87 82.53 o 3 9 0 795.67 761.61 83.25 o 4 9 0 5240.55 5119.98 263.41 o 5 9 0 365.63 352.15 49.42 o 6 9 0 3214.37 3347.90 235.41 o 7 9 0 1291.70 1382.68 147.32 o 8 9 0 0.06 19.46 38.21 o 0 10 0 10962.79 11266.28 480.94 o 1 10 0 1483.94 1603.31 72.18 o 2 10 0 3105.96 3172.76 165.47 o 3 10 0 9355.72 9365.82 364.68 o 4 10 0 0.55 -3.56 22.97 o 5 10 0 3792.91 4052.34 174.31 o 6 10 0 1141.64 1196.58 137.89 o 7 10 0 463.19 433.54 81.45 o 8 10 0 728.18 789.16 95.26 o 1 11 0 4697.51 4727.03 140.47 o 2 11 0 4512.50 4153.69 200.88 o 3 11 0 566.80 655.19 82.72 o 4 11 0 5772.77 5852.42 404.44 o 5 11 0 788.03 859.31 89.92 o 6 11 0 435.36 357.25 78.93 o 7 11 0 288.29 359.46 76.31 o 8 11 0 87.27 41.15 30.25 o 0 12 0 7547.70 7649.34 270.57 o 1 12 0 1263.76 1120.26 83.70 o 2 12 0 2706.70 2818.06 162.47 o 3 12 0 5914.41 5766.65 297.63 o 4 12 0 150.86 128.12 30.81 o 5 12 0 2277.37 2287.85 127.43 o 6 12 0 418.19 449.16 87.22 o 7 12 0 763.40 797.16 103.95 o 8 12 0 1037.44 1088.17 98.39 o 1 13 0 9231.02 9255.05 342.16 o 2 13 0 9674.84 9415.43 662.67 o 3 13 0 47.23 50.63 19.13 o 4 13 0 1592.86 1558.86 79.70 o 5 13 0 61.93 9.66 27.90 o 6 13 0 2083.49 2187.50 180.02 o 7 13 0 1416.00 1322.77 125.65 o 0 14 0 2848.30 2749.27 191.57 o 1 14 0 336.79 327.59 34.85 o 2 14 0 1612.95 1690.40 149.21 o 3 14 0 2648.57 2845.28 197.02 o 4 14 0 85.39 92.37 28.38 o 5 14 0 2981.81 2797.47 202.67 o 6 14 0 953.05 934.10 112.09 o 7 14 0 277.32 200.62 47.06 o 1 15 0 5260.69 5097.31 153.79 o 2 15 0 890.90 800.42 56.78 o 3 15 0 3344.65 3197.12 121.37 o 4 15 0 7526.26 7428.64 323.56 o 5 15 0 991.19 966.55 114.60 o 6 15 0 1335.57 1063.33 113.08 o 7 15 0 1246.00 1150.02 99.97 o 0 16 0 318.01 377.31 79.58 o 1 16 0 72.82 87.56 30.78 o 2 16 0 2331.19 2270.96 103.22 o 3 16 0 2098.73 2056.62 121.70 o 4 16 0 45.31 38.12 22.57 o 5 16 0 1121.71 1145.70 121.08 o 6 16 0 728.52 768.53 88.68 o 7 16 0 66.08 29.18 14.93 o 1 17 0 9286.69 9339.69 313.36 o 2 17 0 2265.79 2285.77 133.55 o 3 17 0 857.40 859.93 118.56 o 4 17 0 4602.20 4649.02 183.45 o 5 17 0 603.42 592.17 80.82 o 6 17 0 812.10 692.13 76.25 o 0 18 0 2482.03 2635.27 224.63 o 1 18 0 56.76 47.42 25.40 o 2 18 0 18.08 28.95 52.51 o 3 18 0 358.90 421.55 83.09 o 4 18 0 26.56 6.92 27.26 o 1 19 0 6257.25 6484.22 260.09 o 2 19 0 2229.42 2401.47 140.67 o 3 19 0 1943.48 2128.81 187.81 o 4 19 0 3014.36 3326.62 212.01 o 5 19 0 417.46 385.44 62.68 o 0 20 0 370.02 413.63 90.26 o 1 20 0 736.75 802.78 87.13 o 2 20 0 2.61 1.27 22.65 o 3 20 0 3.76 -3.06 27.82 o 4 20 0 33.37 3.69 20.87 o 5 20 0 5.43 10.20 23.99 o 1 21 0 4940.04 5448.84 228.45 o 2 21 0 2350.16 2584.75 136.55 o 3 21 0 1003.23 1030.27 119.68 o 4 21 0 2750.94 2895.98 173.99 o 0 22 0 66.39 92.90 47.79 o 1 22 0 8.54 -32.65 56.10 o 2 22 0 0.09 21.61 13.50 o 3 22 0 1.65 2.08 25.14 o 1 23 0 3127.02 3741.33 163.62 o 2 23 0 1718.59 2058.42 165.91 o 0 24 0 129.18 121.57 41.58 o 1 24 0 2.99 8.26 23.56 o -9 1 1 1977.71 1971.76 97.67 o -8 1 1 218.78 168.26 38.24 o -7 1 1 3387.54 3457.81 128.20 o -6 1 1 8469.68 8383.76 164.75 o -5 1 1 1372.73 1474.24 161.16 o -4 1 1 15495.49 15693.21 508.00 o -3 1 1 2844.28 2633.04 110.92 o -2 1 1 14649.88 13944.32 280.74 o 0 1 1 3449.22 3381.50 89.11 o 1 1 1 45390.20 44492.38 1092.06 o 2 1 1 1820.42 1760.81 62.69 o 3 1 1 485.39 469.59 39.40 o 4 1 1 16094.74 17050.07 382.75 o 5 1 1 5368.65 6127.51 200.15 o 6 1 1 3491.99 3494.91 109.03 o 7 1 1 3783.65 3960.08 180.61 o 8 1 1 17.30 9.04 28.04 o 9 1 1 1701.29 1741.18 88.80 o -9 2 1 58.21 17.48 20.77 o -8 2 1 652.59 661.37 91.41 o -7 2 1 322.78 350.00 40.15 o -6 2 1 2.16 9.55 11.40 o -5 2 1 7.39 20.31 16.76 o -4 2 1 424.79 474.60 44.63 o -3 2 1 49.49 59.44 16.39 o -2 2 1 10514.06 10152.91 256.39 o -1 2 1 9649.38 9993.15 277.86 o 0 2 1 844.35 876.81 24.63 o 1 2 1 8790.30 8551.57 271.44 o 2 2 1 13837.73 14086.07 283.93 o 3 2 1 3706.62 3881.57 289.40 o 4 2 1 40.92 26.24 15.37 o 5 2 1 1119.13 1244.08 81.69 o 6 2 1 54.34 85.36 19.23 o 7 2 1 26.80 24.10 23.31 o 8 2 1 372.62 352.72 51.93 o 9 2 1 11.33 -32.15 21.43 o -9 3 1 1734.74 1787.28 136.82 o -8 3 1 168.51 164.50 34.79 o -7 3 1 3490.28 3334.48 124.59 o -6 3 1 5482.30 5223.47 121.97 o -5 3 1 432.89 427.93 47.94 o -4 3 1 22127.71 21977.36 911.45 o -3 3 1 5981.48 6199.34 192.77 o -2 3 1 23217.60 23170.99 440.47 o -1 3 1 39095.34 36237.54 910.32 o 0 3 1 46.11 69.98 5.95 o 1 3 1 19301.82 18684.66 483.01 o 2 3 1 13270.31 13181.24 215.59 o 3 3 1 1555.91 1717.47 74.17 o 4 3 1 8438.62 8961.13 235.94 o 5 3 1 3478.85 3563.37 185.63 o 6 3 1 2167.06 2375.98 104.39 o 7 3 1 5293.96 5317.83 213.66 o 8 3 1 9.18 10.18 35.87 o 9 3 1 1092.87 1063.18 108.78 o -9 4 1 5.89 -18.47 29.41 o -8 4 1 727.65 689.39 102.03 o -7 4 1 53.98 64.41 18.91 o -6 4 1 271.57 206.85 24.91 o -5 4 1 250.82 184.27 32.89 o -4 4 1 1786.72 1679.70 85.94 o -3 4 1 7424.18 7620.88 218.66 o -2 4 1 3295.29 3356.09 146.99 o -1 4 1 2054.42 1868.71 84.01 o 0 4 1 1599.29 1666.44 42.10 o 1 4 1 2902.21 2920.93 102.70 o 2 4 1 3985.63 3886.12 81.40 o 3 4 1 2695.29 2438.83 90.25 o 4 4 1 1801.05 1869.30 89.00 o 5 4 1 170.81 177.08 30.34 o 6 4 1 23.85 -6.14 17.52 o 7 4 1 161.35 103.69 34.61 o 8 4 1 335.70 362.95 78.82 o 9 4 1 18.16 19.66 14.48 o -9 5 1 2085.91 2182.42 150.00 o -8 5 1 17.05 51.15 30.45 o -7 5 1 2527.93 2462.79 168.08 o -6 5 1 4355.42 4228.61 180.36 o -5 5 1 96.45 63.02 19.04 o -4 5 1 27805.37 29619.92 866.75 o -3 5 1 13836.40 15088.95 481.29 o -2 5 1 10613.77 11329.31 355.60 o -1 5 1 12635.09 11764.37 219.33 o 0 5 1 876.96 905.86 29.79 o 1 5 1 6813.82 7243.90 213.52 o 2 5 1 7808.57 7447.13 135.67 o 3 5 1 5192.74 5121.22 140.42 o 4 5 1 16001.99 16293.04 487.12 o 5 5 1 3260.67 3558.23 151.99 o 6 5 1 791.15 833.81 62.76 o 7 5 1 4958.86 5269.91 302.52 o 8 5 1 185.00 146.58 54.71 o 9 5 1 1686.78 1582.73 127.63 o -9 6 1 87.58 54.70 26.54 o -8 6 1 1169.60 1057.23 123.83 o -7 6 1 217.35 253.52 68.49 o -6 6 1 1392.23 1350.99 98.05 o -5 6 1 1161.69 1163.08 140.27 o -4 6 1 88.86 71.70 33.36 o -3 6 1 4085.22 4250.50 202.98 o -2 6 1 2357.92 2272.41 121.11 o -1 6 1 1776.59 1763.60 48.88 o 0 6 1 3885.65 3861.82 132.45 o 1 6 1 29.84 34.22 12.75 o 2 6 1 3793.75 4056.68 110.98 o 3 6 1 3831.80 4019.25 193.39 o 4 6 1 2012.25 1947.37 145.13 o 5 6 1 1648.53 1673.46 83.06 o 6 6 1 820.75 856.36 63.51 o 7 6 1 4.45 50.08 38.61 o 8 6 1 712.13 677.94 98.57 o 9 6 1 528.69 434.04 64.40 o -9 7 1 1308.83 1243.55 106.29 o -8 7 1 169.84 198.44 57.79 o -7 7 1 2591.02 2765.11 215.92 o -6 7 1 2605.91 2688.49 142.23 o -5 7 1 105.37 78.67 22.91 o -4 7 1 15517.80 15970.38 544.74 o -3 7 1 11298.30 12072.18 417.95 o -2 7 1 10625.34 11030.42 360.17 o -1 7 1 13193.00 12928.74 249.33 o 0 7 1 536.33 527.84 24.64 o 1 7 1 5443.38 5682.02 185.64 o 2 7 1 13721.72 14466.21 426.05 o 3 7 1 466.67 361.33 54.40 o 4 7 1 8694.25 8295.70 347.73 o 5 7 1 796.76 769.06 71.41 o 6 7 1 1481.90 1582.43 108.65 o 7 7 1 4256.39 4708.83 282.82 o 8 7 1 559.78 490.26 80.62 o 9 7 1 531.33 433.19 62.43 o -8 8 1 270.89 340.41 67.95 o -7 8 1 989.29 882.50 119.07 o -6 8 1 2819.71 2687.52 264.96 o -5 8 1 3878.57 4007.00 169.74 o -4 8 1 264.31 239.34 50.19 o -3 8 1 574.63 507.30 66.81 o -2 8 1 14285.32 15295.88 469.73 o -1 8 1 9.89 17.41 5.59 o 0 8 1 3560.60 3591.07 88.69 o 1 8 1 905.21 819.87 55.89 o 2 8 1 6238.11 6808.67 168.11 o 3 8 1 3053.48 2924.22 170.72 o 4 8 1 1264.39 1250.94 118.75 o 5 8 1 3030.87 3162.81 149.70 o 6 8 1 152.26 107.13 29.99 o 7 8 1 4.24 24.62 35.28 o 8 8 1 217.50 241.18 58.83 o -8 9 1 156.29 114.81 48.97 o -7 9 1 1679.75 1869.00 174.98 o -6 9 1 3521.33 3587.16 247.67 o -5 9 1 22.61 31.15 20.62 o -4 9 1 4909.45 5082.57 259.66 o -3 9 1 2346.57 2288.56 149.26 o -2 9 1 6607.70 7046.16 267.91 o -1 9 1 20710.75 21915.40 409.61 o 0 9 1 40.24 36.78 7.09 o 1 9 1 7903.06 8238.79 191.01 o 2 9 1 13609.10 13800.08 295.62 o 3 9 1 22.95 47.26 27.58 o 4 9 1 7358.33 7555.56 337.24 o 5 9 1 1467.07 1473.70 100.62 o 6 9 1 665.01 743.49 106.93 o 7 9 1 846.06 757.75 106.28 o 8 9 1 277.12 272.28 56.55 o -8 10 1 2541.35 2718.61 183.92 o -7 10 1 537.54 668.28 101.35 o -6 10 1 586.45 624.56 102.44 o -5 10 1 2579.91 2549.70 134.74 o -4 10 1 445.97 457.10 73.72 o -3 10 1 6578.85 7339.65 306.64 o -2 10 1 3281.00 2904.24 154.44 o -1 10 1 357.97 480.75 25.45 o 0 10 1 11851.70 12926.67 395.36 o 1 10 1 2530.59 2679.66 91.47 o 2 10 1 1800.14 1786.60 73.60 o 3 10 1 6831.01 7094.31 305.09 o 4 10 1 31.55 67.37 24.95 o 5 10 1 1077.65 1071.06 86.64 o 6 10 1 3044.65 2780.31 209.08 o 7 10 1 4.71 9.13 29.64 o 8 10 1 576.05 575.02 79.30 o -8 11 1 295.97 310.55 58.38 o -7 11 1 2863.37 3166.32 222.05 o -6 11 1 3445.85 3495.10 242.88 o -5 11 1 14.54 13.96 19.90 o -4 11 1 1281.56 1112.57 113.42 o -3 11 1 1135.28 1018.76 98.79 o -2 11 1 1854.55 1833.27 120.29 o -1 11 1 4510.85 4412.32 129.89 o 0 11 1 877.39 1025.05 52.93 o 1 11 1 14550.17 15939.97 336.61 o 2 11 1 9542.67 9711.11 358.97 o 3 11 1 5.89 92.93 33.04 o 4 11 1 4150.52 4207.17 182.28 o 5 11 1 311.33 366.14 67.53 o 6 11 1 738.12 673.36 99.59 o 7 11 1 1316.67 1287.99 130.40 o 8 11 1 280.19 289.37 52.99 o -8 12 1 912.19 943.50 95.13 o -7 12 1 1224.92 1132.10 126.09 o -6 12 1 255.02 272.15 71.62 o -5 12 1 4159.10 4246.12 179.14 o -4 12 1 6.96 4.40 14.10 o -3 12 1 3229.15 3084.61 130.72 o -2 12 1 5945.20 5698.03 237.78 o -1 12 1 402.96 404.89 56.78 o 0 12 1 11353.16 11026.68 203.72 o 1 12 1 3547.71 3692.86 120.02 o 2 12 1 1857.67 1981.00 136.68 o 3 12 1 4347.78 3946.09 155.95 o 4 12 1 276.26 278.68 46.15 o 5 12 1 2605.41 2416.73 131.32 o 6 12 1 1510.02 1407.74 143.51 o 7 12 1 3.77 -14.60 32.89 o 8 12 1 1291.13 1274.23 102.85 o -7 13 1 1509.25 1500.60 137.76 o -6 13 1 619.26 582.75 95.07 o -5 13 1 1443.19 1337.39 142.91 o -4 13 1 4857.72 4752.43 148.03 o -3 13 1 741.63 510.72 68.97 o -2 13 1 1391.74 1210.87 114.39 o -1 13 1 6814.36 7212.87 294.61 o 0 13 1 1897.57 2087.82 124.59 o 2 13 1 2029.66 1931.16 102.59 o 3 13 1 624.13 689.17 63.86 o 4 13 1 801.85 794.45 56.04 o 5 13 1 28.50 43.55 43.67 o 6 13 1 667.52 726.33 98.71 o 7 13 1 1122.84 1125.00 110.61 o -7 14 1 1024.22 1092.04 110.36 o -6 14 1 1057.21 1003.85 119.79 o -5 14 1 4518.50 4427.18 271.22 o -4 14 1 1089.80 1002.57 66.71 o -3 14 1 3230.84 3064.83 118.42 o -2 14 1 2812.21 2595.55 87.33 o -1 14 1 2515.68 2586.79 119.14 o 0 14 1 8009.81 7856.63 345.29 o 1 14 1 5161.92 4900.95 144.55 o 2 14 1 4879.05 4403.51 258.64 o 3 14 1 4588.49 4745.12 182.84 o 4 14 1 902.04 836.13 58.97 o 5 14 1 1075.82 928.99 111.50 o 6 14 1 1850.02 1569.92 138.21 o 7 14 1 196.64 177.82 43.42 o -7 15 1 644.58 646.50 76.81 o -6 15 1 713.47 730.72 96.82 o -5 15 1 672.06 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