#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:09:52 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181148 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/27/2222788.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_2222788_Fobs loop_ _publ_author_name 'Wang, Qibao' _publ_section_title ; Benzylchloridobis(quinolin-8-olato)tin(IV) ; _journal_coeditor_code LH2848 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m905 _journal_volume 65 _journal_year 2009 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.296 _cell_angle_gamma 90.000 _cell_length_a 11.6283 _cell_length_b 10.6290 _cell_length_c 17.9481 _exptl_crystal_F_000 1064.00 _reflns_d_resolution_high 0.7463 _cod_data_source_file lh2848Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 430.81 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 2 0 0 12401.40 13000.29 352.78 o 4 0 0 2051.75 1997.06 125.54 o 6 0 0 20475.76 20533.85 643.88 o 8 0 0 12921.94 13051.17 269.64 o 10 0 0 2141.70 2351.51 95.02 o 12 0 0 380.03 515.20 73.82 o 14 0 0 0.46 -0.85 37.93 o 1 1 0 7978.31 8544.91 132.79 o 2 1 0 8264.75 8656.86 114.42 o 3 1 0 789.35 659.21 23.00 o 4 1 0 13950.99 14363.25 191.58 o 5 1 0 12769.55 13112.58 179.92 o 6 1 0 4581.82 4428.38 75.08 o 7 1 0 1443.12 1468.50 37.80 o 8 1 0 1061.31 1076.31 47.61 o 9 1 0 452.93 504.84 31.18 o 10 1 0 773.27 793.60 41.45 o 11 1 0 642.49 674.86 41.98 o 12 1 0 1044.07 1093.19 67.65 o 13 1 0 222.97 235.14 41.55 o 14 1 0 746.48 806.78 143.39 o 15 1 0 209.39 255.86 49.06 o 0 2 0 21712.43 18232.54 502.04 o 1 2 0 13322.71 13653.65 211.43 o 2 2 0 3718.17 3963.07 53.69 o 3 2 0 1875.69 1802.46 28.54 o 4 2 0 1052.14 1126.84 27.19 o 5 2 0 5.08 0.98 5.29 o 6 2 0 380.85 392.08 18.70 o 7 2 0 5398.34 5323.49 90.64 o 8 2 0 83.31 77.77 15.96 o 9 2 0 5593.01 5426.20 115.11 o 10 2 0 3.62 17.44 13.68 o 11 2 0 2066.38 2064.52 60.60 o 12 2 0 10.55 0.49 62.08 o 13 2 0 177.06 140.38 35.99 o 14 2 0 2.94 1.06 31.12 o 15 2 0 366.90 306.75 54.07 o 1 3 0 12579.92 12747.29 225.43 o 2 3 0 484.95 462.02 29.22 o 3 3 0 12352.96 12466.57 171.60 o 4 3 0 731.17 680.88 19.39 o 5 3 0 19288.37 19738.09 235.88 o 6 3 0 8426.45 8369.35 113.76 o 7 3 0 975.23 1020.15 35.89 o 8 3 0 460.00 434.27 21.68 o 9 3 0 40.10 18.16 12.77 o 10 3 0 35.04 24.20 15.44 o 11 3 0 567.93 580.37 47.36 o 12 3 0 592.65 615.68 39.85 o 13 3 0 448.25 504.38 66.76 o 14 3 0 355.98 392.15 54.31 o 15 3 0 374.69 424.85 59.29 o 0 4 0 36038.83 31730.55 876.61 o 1 4 0 1173.05 1098.63 35.05 o 2 4 0 21453.74 21772.92 342.00 o 3 4 0 45.33 29.21 10.39 o 4 4 0 454.22 622.72 40.04 o 5 4 0 1217.18 1212.54 37.28 o 6 4 0 5296.53 5218.73 91.10 o 7 4 0 201.09 191.46 15.05 o 8 4 0 7326.19 7291.05 124.49 o 9 4 0 226.41 217.98 24.40 o 10 4 0 4220.49 3895.94 99.27 o 11 4 0 208.59 192.24 26.09 o 12 4 0 105.56 103.27 29.12 o 13 4 0 5.67 14.49 20.79 o 14 4 0 39.14 -20.76 28.45 o 1 5 0 2254.15 2117.88 74.16 o 2 5 0 7027.22 6933.56 131.04 o 3 5 0 5656.07 5485.48 118.59 o 4 5 0 16438.33 17079.47 281.07 o 5 5 0 2026.66 1938.66 54.93 o 6 5 0 5174.04 5263.18 95.29 o 7 5 0 530.76 520.65 29.16 o 8 5 0 1.19 -0.17 12.03 o 9 5 0 455.99 441.07 36.96 o 10 5 0 492.20 411.54 33.30 o 11 5 0 182.83 143.04 25.62 o 12 5 0 1129.66 1063.23 53.11 o 13 5 0 148.56 160.01 33.89 o 14 5 0 402.98 460.59 67.35 o 0 6 0 154.46 167.70 39.46 o 1 6 0 7296.92 7445.97 143.18 o 2 6 0 663.89 699.67 55.05 o 3 6 0 3502.41 3545.27 103.46 o 4 6 0 957.87 950.12 58.35 o 5 6 0 128.84 135.76 20.34 o 6 6 0 77.44 45.91 62.93 o 7 6 0 2012.86 1905.56 80.86 o 8 6 0 115.30 87.05 46.35 o 9 6 0 840.14 782.30 61.75 o 10 6 0 726.03 735.40 49.71 o 11 6 0 2486.70 2451.21 87.32 o 12 6 0 17.23 -0.64 25.23 o 13 6 0 76.59 62.29 31.81 o 14 6 0 8.22 -5.39 31.22 o 1 7 0 529.56 476.17 32.49 o 2 7 0 4.58 -10.92 10.92 o 3 7 0 3178.02 3205.57 85.22 o 4 7 0 83.65 93.41 27.01 o 5 7 0 6470.63 6817.03 205.27 o 6 7 0 1302.64 1238.61 67.43 o 7 7 0 2918.94 2906.48 195.85 o 8 7 0 484.52 411.97 49.16 o 9 7 0 117.60 117.35 35.68 o 10 7 0 79.19 77.75 34.85 o 11 7 0 591.87 688.62 104.44 o 12 7 0 177.08 137.07 45.49 o 13 7 0 743.93 698.18 98.48 o 0 8 0 7164.52 7483.94 287.65 o 1 8 0 934.45 977.05 47.76 o 2 8 0 2495.25 2617.53 79.22 o 3 8 0 91.03 48.39 25.76 o 4 8 0 122.42 99.93 26.52 o 5 8 0 159.95 122.44 30.20 o 6 8 0 881.03 892.32 62.18 o 7 8 0 194.06 153.78 38.11 o 8 8 0 1059.87 1104.79 73.51 o 9 8 0 28.08 23.31 31.07 o 10 8 0 890.73 955.12 77.05 o 11 8 0 68.98 22.46 35.71 o 12 8 0 180.19 191.82 60.29 o 1 9 0 86.64 74.26 27.04 o 2 9 0 5815.89 5544.24 132.97 o 3 9 0 1665.61 1630.39 66.50 o 4 9 0 5545.79 5985.62 170.84 o 5 9 0 1421.27 1349.81 75.66 o 6 9 0 1170.69 1195.10 73.43 o 7 9 0 282.79 263.77 46.25 o 8 9 0 56.23 32.86 31.71 o 9 9 0 57.42 50.76 64.46 o 10 9 0 71.36 61.86 43.80 o 11 9 0 109.44 94.04 44.99 o 12 9 0 194.67 150.52 67.01 o 0 10 0 168.95 264.29 44.05 o 1 10 0 2620.98 2787.83 92.45 o 2 10 0 497.01 490.89 45.47 o 3 10 0 1045.70 958.72 67.62 o 4 10 0 232.22 232.42 40.78 o 5 10 0 8.87 -23.51 23.51 o 6 10 0 59.41 8.62 29.25 o 7 10 0 924.97 945.57 73.36 o 8 10 0 284.89 218.96 57.66 o 9 10 0 888.71 841.96 76.45 o 10 10 0 405.03 476.59 86.40 o 11 10 0 302.66 329.97 77.90 o 1 11 0 95.42 70.06 24.70 o 2 11 0 0.24 19.14 31.21 o 3 11 0 810.93 925.93 72.56 o 4 11 0 241.74 247.05 45.07 o 5 11 0 940.26 926.57 73.62 o 6 11 0 39.54 66.98 36.50 o 7 11 0 687.74 710.61 70.16 o 8 11 0 24.98 -12.02 31.72 o 9 11 0 58.29 110.55 59.53 o 0 12 0 939.87 1034.65 80.30 o 1 12 0 689.95 681.60 61.36 o 2 12 0 328.97 291.74 53.45 o 3 12 0 18.98 -8.05 33.63 o 4 12 0 125.55 30.85 38.27 o 5 12 0 4.24 -28.16 28.16 o 6 12 0 6.50 2.82 60.80 o 7 12 0 255.82 214.99 65.99 o 8 12 0 545.16 573.88 90.49 o 1 13 0 37.93 34.65 33.24 o 2 13 0 683.36 686.24 117.21 o 3 13 0 89.01 38.49 60.72 o 4 13 0 1134.15 1223.35 93.96 o 5 13 0 119.52 64.80 52.73 o 6 13 0 421.32 334.22 79.43 o 0 14 0 436.24 297.48 78.24 o 1 14 0 903.15 909.28 77.47 o 2 14 0 96.86 79.42 48.35 o -15 0 1 18.01 8.16 46.09 o -13 0 1 381.66 466.55 73.99 o -11 0 1 3856.48 3776.30 169.67 o -9 0 1 4602.69 4710.61 124.88 o -7 0 1 7265.03 7726.46 195.22 o -5 0 1 11355.33 11836.26 319.21 o -3 0 1 185594.88 186006.33 4904.09 o -1 0 1 81320.45 72694.01 1964.34 o 1 0 1 1179.18 1239.90 42.41 o 3 0 1 54015.46 54212.08 1370.97 o 5 0 1 32759.68 32418.25 986.94 o 7 0 1 13633.33 12763.62 359.57 o 9 0 1 2868.43 2885.34 144.81 o 11 0 1 84.91 78.41 37.42 o 13 0 1 112.86 76.88 43.88 o 15 0 1 751.26 1164.81 119.58 o -15 1 1 536.20 777.97 195.94 o -14 1 1 70.72 44.34 30.51 o -13 1 1 110.51 177.62 38.98 o -12 1 1 115.97 66.01 28.31 o -11 1 1 19.16 17.14 36.14 o -10 1 1 83.64 79.38 13.86 o -9 1 1 1002.06 1005.00 46.55 o -8 1 1 1056.65 1061.53 33.73 o -7 1 1 7963.13 7887.79 105.54 o -6 1 1 2616.74 2504.57 46.37 o -5 1 1 20041.90 20836.05 274.93 o -4 1 1 4008.17 3812.68 70.45 o -3 1 1 8018.16 8417.46 115.21 o -2 1 1 85.53 88.92 4.60 o -1 1 1 3191.57 3049.75 97.60 o 0 1 1 2204.54 2524.77 55.99 o 1 1 1 35946.02 36958.54 694.82 o 2 1 1 11588.43 12072.14 157.07 o 3 1 1 13343.40 13233.58 174.56 o 4 1 1 10108.39 10488.60 175.33 o 5 1 1 3913.50 3907.38 93.10 o 6 1 1 415.76 387.34 19.08 o 7 1 1 86.92 87.18 16.28 o 8 1 1 1248.69 1241.61 44.91 o 9 1 1 1217.39 1246.40 39.49 o 10 1 1 2017.08 1971.21 69.54 o 11 1 1 2653.89 2730.94 80.54 o 12 1 1 506.57 527.56 52.25 o 13 1 1 313.58 256.85 73.99 o 14 1 1 74.03 66.64 34.02 o 15 1 1 86.18 56.88 41.33 o -15 2 1 14.05 12.80 33.38 o -14 2 1 446.65 451.80 55.70 o -13 2 1 1.71 9.94 26.51 o -12 2 1 2621.72 2635.38 101.48 o -11 2 1 17.00 32.13 16.30 o -10 2 1 4649.04 4582.90 107.34 o -9 2 1 6.34 7.17 9.34 o -8 2 1 534.78 519.67 22.28 o -7 2 1 256.36 288.17 16.25 o -6 2 1 1154.55 1030.29 26.30 o -5 2 1 1234.44 1375.73 28.65 o -4 2 1 17697.04 17719.38 207.97 o -3 2 1 634.39 628.32 21.01 o -2 2 1 4856.17 4936.55 85.53 o -1 2 1 3986.36 4014.20 74.79 o 0 2 1 19706.03 18028.40 666.26 o 1 2 1 1.66 -5.00 6.25 o 2 2 1 14291.10 15103.97 197.53 o 3 2 1 2783.00 3008.75 49.93 o 4 2 1 8741.70 8814.46 124.68 o 5 2 1 2383.84 2504.91 55.89 o 6 2 1 7473.63 7256.51 112.22 o 7 2 1 660.36 682.76 25.84 o 8 2 1 4756.41 4614.29 84.83 o 9 2 1 307.27 335.23 22.93 o 10 2 1 2648.67 2609.83 75.64 o 11 2 1 6.27 6.23 15.96 o 12 2 1 121.22 121.02 20.60 o 13 2 1 9.90 14.51 27.29 o 14 2 1 561.64 659.05 82.83 o 15 2 1 74.55 135.74 45.23 o -15 3 1 363.88 425.69 60.18 o -14 3 1 73.00 87.36 35.41 o -13 3 1 240.60 290.84 45.26 o -12 3 1 79.19 93.18 22.68 o -11 3 1 155.10 134.87 22.71 o -10 3 1 75.16 62.89 25.67 o -9 3 1 2909.77 2801.67 66.92 o -8 3 1 2666.29 2623.84 102.30 o -7 3 1 2270.32 2258.38 57.34 o -6 3 1 8094.25 7839.31 107.55 o -5 3 1 4496.37 4468.00 67.07 o -4 3 1 5009.34 4954.32 70.78 o -3 3 1 4065.54 4215.62 67.93 o -2 3 1 0.47 19.18 15.79 o -1 3 1 4833.64 4998.17 90.03 o 0 3 1 32778.98 29091.29 1544.17 o 1 3 1 2087.76 2188.26 42.29 o 2 3 1 19173.03 19599.73 259.35 o 3 3 1 4591.07 4639.05 68.37 o 4 3 1 5890.65 6004.80 108.28 o 5 3 1 2329.77 2184.94 45.21 o 6 3 1 317.77 293.67 17.62 o 7 3 1 1237.45 1251.91 35.74 o 8 3 1 602.92 659.20 28.46 o 9 3 1 107.70 197.16 35.79 o 10 3 1 2825.51 2766.66 62.61 o 11 3 1 2004.45 1832.23 58.30 o 12 3 1 1186.08 1214.18 51.55 o 13 3 1 672.94 593.06 57.91 o 14 3 1 332.00 349.20 59.02 o 15 3 1 57.43 75.60 47.03 o -14 4 1 7.27 -1.54 31.37 o -13 4 1 473.07 436.01 53.60 o -12 4 1 4.23 -12.88 19.85 o -11 4 1 3808.80 3539.48 88.94 o -10 4 1 0.64 6.71 15.43 o -9 4 1 2609.27 2594.89 66.79 o -8 4 1 330.56 331.52 25.27 o -7 4 1 13.77 36.29 10.85 o -6 4 1 682.73 760.04 24.19 o -5 4 1 2345.92 2260.54 53.08 o -4 4 1 133.88 160.42 16.00 o -3 4 1 24416.77 24998.75 388.82 o -2 4 1 2276.38 2147.29 53.29 o -1 4 1 42817.16 42017.83 965.26 o 0 4 1 5847.35 6209.50 221.57 o 1 4 1 2958.21 3041.17 67.49 o 2 4 1 5.48 7.02 6.55 o 3 4 1 1253.15 1226.25 33.40 o 4 4 1 2.64 -1.22 10.92 o 5 4 1 34264.12 35197.81 407.85 o 6 4 1 365.15 397.22 22.00 o 7 4 1 7694.74 7607.04 111.00 o 8 4 1 34.76 24.89 11.41 o 9 4 1 512.59 529.30 32.53 o 10 4 1 9.19 12.28 16.04 o 11 4 1 117.35 115.29 21.97 o 12 4 1 0.72 -10.32 17.20 o 13 4 1 206.22 201.31 35.18 o 14 4 1 14.84 2.89 31.63 o -14 5 1 38.36 -24.32 31.51 o -13 5 1 406.51 372.67 45.08 o -12 5 1 4.66 -29.91 29.91 o -11 5 1 23.50 19.53 22.96 o -10 5 1 229.99 197.37 30.52 o -9 5 1 1947.79 1914.24 66.42 o -8 5 1 334.15 396.28 33.42 o -7 5 1 6432.92 6488.44 131.83 o -6 5 1 3316.53 3301.01 103.22 o -5 5 1 10530.41 10989.30 192.30 o -4 5 1 5823.61 6058.95 118.40 o -3 5 1 466.82 447.44 44.20 o -2 5 1 1075.09 1049.00 46.84 o -1 5 1 1233.65 1269.18 41.49 o 0 5 1 5072.51 5152.46 203.04 o 1 5 1 18398.49 18027.98 292.96 o 2 5 1 5353.50 5284.22 107.64 o 3 5 1 11621.20 12091.13 208.01 o 4 5 1 944.75 862.76 31.19 o 5 5 1 2697.33 2905.15 62.24 o 6 5 1 164.34 155.20 17.30 o 7 5 1 294.44 289.39 19.39 o 8 5 1 314.73 320.78 26.37 o 9 5 1 1860.15 1712.56 54.91 o 10 5 1 375.12 364.16 31.67 o 11 5 1 1604.53 1597.36 61.66 o 12 5 1 107.42 74.03 23.66 o 13 5 1 286.37 310.11 36.83 o 14 5 1 50.36 44.54 33.56 o -14 6 1 246.61 226.91 49.50 o -13 6 1 37.82 35.13 30.65 o -12 6 1 890.65 950.73 67.95 o -11 6 1 250.06 335.34 40.45 o -10 6 1 2066.05 2158.40 124.62 o -9 6 1 39.29 6.46 26.67 o -8 6 1 453.06 442.61 47.56 o -7 6 1 23.19 22.05 27.47 o -6 6 1 969.43 978.91 77.49 o -5 6 1 463.15 525.47 31.67 o -4 6 1 6517.07 6490.02 129.79 o -3 6 1 13.77 8.74 12.85 o -2 6 1 7216.43 6916.03 135.67 o -1 6 1 303.76 346.31 25.58 o 0 6 1 5134.14 5188.21 141.73 o 1 6 1 220.44 220.86 22.66 o 2 6 1 7.18 18.40 17.37 o 3 6 1 265.74 259.17 25.36 o 4 6 1 1874.65 2011.68 60.49 o 5 6 1 613.50 664.07 56.41 o 6 6 1 3712.64 3750.51 79.04 o 7 6 1 399.79 401.14 34.32 o 8 6 1 2684.84 2594.25 81.06 o 9 6 1 473.14 488.78 67.49 o 10 6 1 1291.13 1336.92 64.56 o 11 6 1 17.35 23.27 20.10 o 12 6 1 0.72 -15.66 22.69 o 13 6 1 119.92 95.00 32.15 o 14 6 1 350.33 178.08 68.20 o -13 7 1 17.40 -8.75 41.05 o -12 7 1 35.92 72.80 41.78 o -11 7 1 102.22 121.32 41.02 o -10 7 1 2015.01 2076.29 115.35 o -9 7 1 248.74 232.69 42.39 o -8 7 1 2706.57 2760.54 107.87 o -7 7 1 706.73 762.71 58.43 o -6 7 1 4012.55 4213.46 130.43 o -5 7 1 99.57 77.30 24.39 o -4 7 1 271.85 295.73 28.88 o -3 7 1 112.41 100.33 20.80 o -2 7 1 255.92 250.55 26.35 o -1 7 1 986.91 999.28 62.64 o 0 7 1 3567.14 3598.31 118.06 o 1 7 1 33.79 27.20 14.45 o 2 7 1 5688.56 5674.57 123.85 o 3 7 1 309.24 361.96 31.34 o 4 7 1 4332.88 4413.94 103.43 o 5 7 1 339.08 372.45 31.42 o 6 7 1 743.10 758.64 54.55 o 7 7 1 455.61 392.05 45.65 o 8 7 1 315.34 240.87 40.13 o 9 7 1 78.90 117.00 35.55 o 10 7 1 1195.22 1285.50 83.16 o 11 7 1 575.49 525.77 62.69 o 12 7 1 763.79 706.27 73.41 o 13 7 1 185.89 226.50 54.18 o -12 8 1 2.76 5.63 37.10 o -11 8 1 919.66 944.43 79.46 o -10 8 1 36.85 82.64 39.08 o -9 8 1 691.46 812.11 68.59 o -8 8 1 45.73 90.51 39.54 o -7 8 1 50.13 27.84 26.61 o -6 8 1 301.71 246.59 40.56 o -5 8 1 1470.90 1640.32 101.65 o -4 8 1 338.25 387.54 98.06 o -3 8 1 5776.18 5560.38 127.65 o -2 8 1 1707.12 1659.16 61.50 o -1 8 1 4997.94 4902.65 116.69 o 0 8 1 950.81 986.65 48.10 o 1 8 1 18.14 9.24 14.33 o 2 8 1 25.44 24.02 14.81 o 3 8 1 1216.11 1277.06 58.62 o 4 8 1 18.91 26.04 18.97 o 5 8 1 652.78 724.34 55.16 o 6 8 1 999.66 962.37 96.37 o 7 8 1 1592.02 1617.10 193.85 o 8 8 1 82.66 82.95 32.52 o 9 8 1 350.22 254.07 47.11 o 10 8 1 23.57 14.89 34.17 o 11 8 1 5.05 21.20 35.19 o 12 8 1 15.78 10.44 39.88 o -12 9 1 2.73 5.95 52.04 o -11 9 1 44.28 33.77 40.99 o -10 9 1 2.33 4.15 34.04 o -9 9 1 102.43 89.76 38.10 o -8 9 1 1147.10 1215.90 80.80 o -7 9 1 2436.58 2867.53 211.65 o -6 9 1 830.37 772.02 63.14 o -5 9 1 5425.36 5576.96 166.20 o -4 9 1 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