#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/67/2226785.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_2226785_Fobs loop_ _publ_author_name 'Affan, Md. Abu' 'Sam, Norrihan B.' 'Ahmad, Fasihuddin B.' 'Tiekink, Edward R. T.' _publ_section_title ; {4-Hydroxy-N'-[(2-oxido-1-naphthyl-\kO)methylidene]benzohydrazidato-\k^2^N',O}dimethyltin(IV) ; _journal_coeditor_code BT5292 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m924 _journal_volume 66 _journal_year 2010 _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 94.923 _cell_angle_gamma 90.000 _cell_length_a 12.9422 _cell_length_b 16.5264 _cell_length_c 16.9949 _exptl_crystal_F_000 1808.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file bt5292Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title AFFAN-28 _shelx_refln_list_code 4 _shelx_f_calc_maximum 469.14 _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 2 0 0 442.96 486.51 45.18 o 3 0 0 59.05 47.11 27.77 o 4 0 0 50649.03 49239.49 999.30 o 5 0 0 1761.00 1761.20 134.90 o 6 0 0 79.00 66.51 37.30 o 9 0 0 2106.29 1968.54 171.16 o 10 0 0 9074.85 9360.82 410.33 o 11 0 0 551.18 534.65 105.04 o 12 0 0 18702.21 19349.23 693.85 o 13 0 0 3724.53 3638.57 292.05 o 14 0 0 14528.10 14380.53 636.91 o 15 0 0 572.72 692.97 145.28 o 2 1 0 26238.04 26713.50 532.71 o 3 1 0 9579.72 9249.15 267.95 o 4 1 0 68.01 41.92 30.46 o 5 1 0 30665.09 33044.80 540.86 o 6 1 0 2904.36 2976.01 134.48 o 7 1 0 5361.50 5609.12 288.42 o 8 1 0 2672.74 2595.86 205.27 o 9 1 0 14889.23 14938.45 362.06 o 10 1 0 1473.27 1646.36 117.63 o 11 1 0 656.04 788.03 99.70 o 12 1 0 26.61 115.80 91.40 o 13 1 0 14257.60 14611.15 433.76 o 14 1 0 149.90 233.40 64.15 o 15 1 0 49.05 -37.26 60.23 o 0 2 0 302.15 289.80 22.81 o 1 2 0 17478.40 17867.84 294.85 o 2 2 0 509.83 454.24 47.76 o 3 2 0 3475.67 3333.14 112.74 o 4 2 0 69.60 90.02 25.23 o 5 2 0 36848.59 38636.82 609.65 o 6 2 0 1773.81 1820.06 157.95 o 7 2 0 31775.95 31743.79 825.34 o 8 2 0 91.10 96.85 38.72 o 9 2 0 2032.75 2031.49 245.31 o 10 2 0 1947.68 2109.99 111.39 o 11 2 0 3989.03 4203.66 200.10 o 12 2 0 124.02 120.30 49.51 o 13 2 0 3033.84 3023.85 187.80 o 14 2 0 1373.08 1286.97 129.61 o 15 2 0 7459.06 7888.81 336.66 o 1 3 0 1053.99 1199.91 58.34 o 2 3 0 202970.02 199889.88 3367.16 o 3 3 0 14642.94 15673.09 283.04 o 4 3 0 2084.22 2322.84 100.73 o 5 3 0 2064.86 2040.33 102.37 o 6 3 0 44703.30 47479.67 749.82 o 7 3 0 4385.44 4427.72 180.24 o 8 3 0 2633.44 2677.47 147.02 o 9 3 0 245.85 163.09 51.21 o 10 3 0 7278.74 7467.56 215.31 o 11 3 0 1636.08 1744.32 109.74 o 12 3 0 4763.98 4556.12 218.61 o 13 3 0 31.83 52.90 52.26 o 14 3 0 13995.21 13766.08 437.73 o 15 3 0 3916.77 4170.44 367.62 o 0 4 0 37.84 60.22 14.53 o 1 4 0 1650.15 1707.95 76.07 o 2 4 0 189745.80 195568.92 1929.46 o 3 4 0 2358.81 2471.77 80.18 o 4 4 0 887.16 952.99 54.41 o 5 4 0 811.76 968.42 64.20 o 6 4 0 2407.63 2761.50 108.86 o 7 4 0 762.86 852.95 101.02 o 8 4 0 2864.31 3215.31 164.10 o 9 4 0 186.80 212.25 57.52 o 10 4 0 39.62 23.34 30.41 o 11 4 0 298.19 450.98 60.32 o 12 4 0 749.10 793.20 80.68 o 13 4 0 59.28 77.55 44.97 o 14 4 0 336.66 279.01 109.35 o 15 4 0 127.06 356.51 131.21 o 1 5 0 454.18 529.24 23.51 o 2 5 0 70304.01 71700.84 665.29 o 3 5 0 1287.12 1245.33 74.29 o 4 5 0 7.88 54.74 24.71 o 5 5 0 3701.33 3536.69 117.78 o 6 5 0 13393.43 13748.09 331.35 o 7 5 0 3937.67 3832.96 171.26 o 8 5 0 1428.05 1170.96 104.07 o 9 5 0 3377.32 3371.84 131.58 o 10 5 0 14974.46 14711.25 314.86 o 11 5 0 5591.00 5657.78 193.06 o 12 5 0 257.48 267.72 51.89 o 13 5 0 1499.10 1651.17 135.71 o 14 5 0 1095.98 1332.69 210.07 o 15 5 0 1292.09 1251.36 222.87 o 0 6 0 1867.57 2069.03 106.79 o 1 6 0 4205.35 3982.50 105.86 o 2 6 0 175.69 275.55 42.51 o 3 6 0 7068.16 6751.29 151.56 o 4 6 0 1699.81 1653.57 52.39 o 5 6 0 1164.78 1134.77 50.03 o 6 6 0 1081.84 1073.79 89.69 o 7 6 0 5632.31 5345.47 209.88 o 8 6 0 1720.45 1504.61 116.77 o 9 6 0 10107.10 10616.86 242.34 o 10 6 0 501.29 540.96 58.06 o 11 6 0 6498.66 6696.42 217.15 o 12 6 0 1208.41 1460.57 103.24 o 13 6 0 80.87 58.03 54.41 o 14 6 0 246.69 78.19 85.02 o 1 7 0 10135.84 10291.70 281.27 o 2 7 0 3157.68 3236.17 67.80 o 3 7 0 12388.70 13059.12 273.32 o 4 7 0 9427.31 9597.57 204.58 o 5 7 0 5672.91 5372.42 144.83 o 6 7 0 332.40 361.85 42.09 o 7 7 0 838.82 1026.51 155.28 o 8 7 0 91.77 88.98 24.18 o 9 7 0 16769.54 17139.17 321.20 o 10 7 0 858.73 757.13 72.05 o 11 7 0 763.79 763.73 73.43 o 12 7 0 3305.71 3394.29 218.16 o 13 7 0 3492.03 3292.09 224.01 o 14 7 0 114.61 59.05 167.49 o 0 8 0 47450.00 46245.89 928.00 o 1 8 0 201.45 211.02 42.56 o 2 8 0 1027.59 1076.31 52.19 o 3 8 0 1.94 27.17 13.83 o 4 8 0 220092.06 233757.56 2372.79 o 5 8 0 926.15 966.34 81.92 o 6 8 0 3196.33 3103.01 103.81 o 7 8 0 9.01 15.38 14.64 o 8 8 0 20384.76 21214.89 286.38 o 9 8 0 2460.96 2270.81 99.16 o 10 8 0 4643.08 4683.14 179.33 o 11 8 0 191.74 73.08 47.51 o 12 8 0 8293.82 7706.17 333.04 o 13 8 0 1626.39 1889.43 337.95 o 14 8 0 3483.31 3621.20 247.52 o 1 9 0 10362.30 10237.29 191.83 o 2 9 0 9824.34 9394.15 180.12 o 3 9 0 10520.73 10834.64 192.73 o 4 9 0 11613.33 12095.04 379.01 o 5 9 0 15932.90 16496.88 390.72 o 6 9 0 4859.90 5108.00 209.37 o 7 9 0 2419.91 2125.67 158.18 o 8 9 0 244.28 240.49 41.28 o 9 9 0 13533.98 13621.06 522.55 o 10 9 0 404.92 503.30 214.96 o 11 9 0 8.59 -18.49 54.24 o 12 9 0 2046.15 2034.04 171.57 o 13 9 0 5342.08 5438.94 502.91 o 0 10 0 163.70 205.18 50.48 o 1 10 0 24320.03 24633.41 357.63 o 2 10 0 8.00 14.05 18.65 o 3 10 0 20221.82 20568.42 368.91 o 4 10 0 147.56 179.57 53.23 o 5 10 0 11763.72 12384.79 336.61 o 6 10 0 1104.34 1091.46 97.53 o 7 10 0 4675.03 4728.29 214.91 o 8 10 0 66.80 186.20 60.42 o 9 10 0 4439.50 4109.78 218.24 o 10 10 0 2608.95 2506.66 181.27 o 11 10 0 13320.44 13379.48 444.17 o 12 10 0 2.11 -75.80 50.54 o 13 10 0 156.06 131.01 124.20 o 1 11 0 640.59 586.93 47.23 o 2 11 0 47749.45 48279.80 659.95 o 3 11 0 522.81 513.37 47.99 o 4 11 0 3205.15 3506.30 174.50 o 5 11 0 5.47 19.85 34.86 o 6 11 0 31535.17 32252.60 1225.56 o 7 11 0 613.48 634.21 83.02 o 8 11 0 2710.75 2819.25 178.31 o 9 11 0 53.49 -49.79 49.15 o 10 11 0 17813.71 18128.95 513.42 o 11 11 0 3191.80 3002.80 567.02 o 12 11 0 3284.73 3085.29 219.67 o 13 11 0 92.87 165.90 102.64 o 0 12 0 6817.02 6744.05 286.50 o 1 12 0 2276.16 2428.22 99.64 o 2 12 0 1291.74 1348.43 72.57 o 3 12 0 3833.21 3866.69 118.65 o 4 12 0 7369.85 7343.24 299.28 o 5 12 0 187.94 321.21 62.22 o 6 12 0 8876.78 9058.56 308.74 o 7 12 0 2304.01 2361.66 163.55 o 8 12 0 1887.65 2070.68 156.41 o 9 12 0 105.36 21.79 55.37 o 10 12 0 119.60 130.60 74.83 o 11 12 0 1944.86 2095.66 176.97 o 12 12 0 1077.52 884.08 125.44 o 1 13 0 4311.83 4793.38 148.08 o 2 13 0 514.51 550.29 49.25 o 3 13 0 5136.93 5215.59 219.91 o 4 13 0 45.55 25.31 33.78 o 5 13 0 5637.15 6228.18 252.02 o 6 13 0 9825.75 9779.25 332.17 o 7 13 0 3999.44 4137.65 217.08 o 8 13 0 87.19 112.51 103.49 o 9 13 0 5259.70 5375.48 456.37 o 10 13 0 772.39 876.41 115.82 o 11 13 0 1554.19 1693.42 248.34 o 0 14 0 3709.86 3779.81 252.21 o 1 14 0 21.19 57.25 26.90 o 2 14 0 4.77 41.47 24.59 o 3 14 0 1409.44 1310.91 112.32 o 4 14 0 4215.70 4197.07 205.80 o 5 14 0 62.92 95.39 52.11 o 6 14 0 19.32 11.05 58.46 o 7 14 0 873.36 864.43 105.95 o 8 14 0 2455.17 2352.97 173.49 o 9 14 0 113.47 83.09 110.55 o 10 14 0 1.59 -159.29 106.19 o 11 14 0 210.34 331.25 136.56 o 1 15 0 1343.91 1392.03 97.99 o 2 15 0 644.70 686.99 85.92 o 3 15 0 1009.41 1316.96 208.72 o 4 15 0 30.83 -7.96 42.50 o 5 15 0 1349.87 1386.42 125.18 o 6 15 0 167.32 234.95 167.90 o 7 15 0 872.15 1031.60 118.96 o 8 15 0 155.65 188.24 103.20 o 9 15 0 496.62 455.61 118.92 o 10 15 0 804.58 1424.98 233.20 o 0 16 0 20716.85 22590.62 769.66 o 1 16 0 699.77 814.58 159.26 o 2 16 0 143.10 172.95 51.28 o 3 16 0 331.14 340.09 67.62 o 4 16 0 9329.06 9784.00 341.19 o 5 16 0 844.22 934.73 111.09 o 6 16 0 3.92 78.10 47.59 o 7 16 0 201.44 148.51 92.43 o 8 16 0 16362.19 15114.19 718.72 o 9 16 0 729.80 454.65 152.95 o 1 17 0 3513.99 3983.04 221.64 o 2 17 0 789.74 686.29 88.30 o 3 17 0 865.90 887.82 103.62 o 4 17 0 23.00 -1.72 54.56 o 5 17 0 2715.74 2983.09 283.70 o 6 17 0 833.95 616.23 149.21 o 7 17 0 232.31 392.57 128.56 o 8 17 0 3320.74 2747.19 306.49 o 0 18 0 31.05 -76.18 89.62 o 1 18 0 8183.09 8545.35 388.00 o 2 18 0 85.75 150.93 87.44 o 4 18 0 40.01 12.11 72.62 o 5 18 0 4571.02 4323.27 350.15 o 6 18 0 514.79 635.79 153.78 o 1 19 0 77.78 -141.64 107.50 o 2 19 0 10640.57 11626.65 594.94 o -15 1 1 1597.76 1270.41 134.45 o -14 1 1 1811.07 1860.78 253.63 o -13 1 1 9969.72 10571.26 361.81 o -12 1 1 1007.66 1093.29 135.44 o -11 1 1 1335.35 1500.72 117.64 o -10 1 1 1718.60 1581.82 115.76 o -9 1 1 13323.95 13448.06 469.55 o -8 1 1 1848.51 1891.13 110.96 o -7 1 1 2275.42 2263.92 113.09 o -6 1 1 7091.73 7073.18 162.64 o -5 1 1 20756.57 20588.71 260.13 o -4 1 1 701.92 740.50 35.52 o -3 1 1 426.52 478.65 25.31 o -2 1 1 3786.82 3675.90 70.36 o -1 1 1 61761.75 59182.42 1028.77 o 1 1 1 1854.48 1759.49 87.54 o 2 1 1 20094.57 20933.47 372.07 o 3 1 1 37195.21 36669.46 538.89 o 4 1 1 4598.71 4617.51 152.98 o 5 1 1 5010.99 5290.74 175.40 o 6 1 1 1348.76 1278.40 92.88 o 7 1 1 36919.03 38452.59 963.23 o 8 1 1 3145.96 3326.97 240.54 o 9 1 1 495.68 572.14 107.63 o 10 1 1 1600.51 1456.29 181.67 o 11 1 1 11845.47 11702.11 507.68 o 12 1 1 8493.76 8237.73 301.27 o 13 1 1 2695.18 2692.87 179.23 o 14 1 1 247.55 184.43 70.39 o 15 1 1 5122.72 5687.68 287.72 o -15 2 1 2143.21 2143.17 176.19 o -14 2 1 1020.36 1165.29 125.70 o -13 2 1 343.81 380.04 73.40 o -12 2 1 4373.85 4376.28 214.08 o -11 2 1 405.94 326.06 143.33 o -10 2 1 12340.31 12969.71 349.58 o -9 2 1 1340.08 1401.47 150.47 o -8 2 1 3678.23 3810.96 131.83 o -7 2 1 501.86 603.56 52.33 o -6 2 1 26610.16 27379.75 335.86 o -5 2 1 517.58 524.49 35.04 o -4 2 1 3946.82 3765.56 104.50 o -3 2 1 643.28 640.63 42.30 o -2 2 1 46499.65 48241.83 506.53 o -1 2 1 121.39 117.17 23.50 o 0 2 1 58522.95 57815.09 1004.91 o 1 2 1 362.41 395.33 27.42 o 2 2 1 18258.48 19546.85 449.23 o 3 2 1 578.15 575.48 65.51 o 4 2 1 32753.40 34386.06 773.49 o 5 2 1 696.29 776.55 66.25 o 6 2 1 16253.08 17884.25 545.54 o 7 2 1 420.43 310.89 78.15 o 8 2 1 6944.12 6793.90 352.05 o 9 2 1 125.57 227.76 77.76 o 10 2 1 6038.13 5906.59 362.05 o 11 2 1 1546.53 1481.17 155.27 o 12 2 1 4834.10 4921.84 500.64 o 13 2 1 544.56 515.33 103.46 o 14 2 1 156.45 165.88 59.95 o 15 2 1 722.54 942.80 261.15 o -15 3 1 49.11 150.06 93.82 o -14 3 1 440.54 510.45 90.94 o -13 3 1 89.06 65.14 47.11 o -12 3 1 7700.62 8215.77 297.73 o -11 3 1 1839.94 2048.82 137.63 o -10 3 1 424.40 537.23 146.69 o -9 3 1 1619.88 1633.22 143.60 o -8 3 1 25388.99 25646.45 405.23 o -7 3 1 2229.17 2041.74 88.34 o -6 3 1 6391.67 6544.37 217.41 o -5 3 1 515.33 479.67 31.59 o -4 3 1 29555.79 29225.97 315.17 o -3 3 1 14516.77 14857.68 174.31 o -2 3 1 85328.89 87105.01 882.08 o -1 3 1 94.89 94.14 24.32 o 0 3 1 76157.27 72448.09 1262.10 o 1 3 1 11920.96 12549.24 251.42 o 2 3 1 83934.19 84959.60 1064.84 o 3 3 1 685.28 786.52 56.67 o 4 3 1 12172.39 12083.23 376.32 o 5 3 1 7436.89 8505.21 233.51 o 6 3 1 12939.83 12351.75 438.64 o 7 3 1 2668.81 2951.67 211.20 o 8 3 1 7420.10 7785.15 379.09 o 9 3 1 140.46 203.53 75.50 o 10 3 1 7405.77 7429.98 284.47 o 11 3 1 94.53 165.65 88.05 o 12 3 1 60.90 59.15 38.86 o 13 3 1 1610.47 1612.18 137.21 o 14 3 1 12363.25 12714.52 419.66 o 15 3 1 508.63 416.26 142.18 o -15 4 1 8128.95 7928.52 515.59 o -14 4 1 220.18 233.58 108.16 o -13 4 1 4054.59 4118.11 215.11 o -12 4 1 4231.26 4624.33 217.17 o -11 4 1 34511.22 35780.13 687.64 o -10 4 1 433.60 404.48 52.16 o -9 4 1 15121.97 15548.04 306.37 o -8 4 1 3727.05 3750.17 129.20 o -7 4 1 68352.23 70303.05 822.96 o -6 4 1 458.15 459.04 34.59 o -5 4 1 13320.11 13345.28 190.25 o -4 4 1 993.78 966.04 42.37 o -3 4 1 93715.16 93996.60 981.17 o -2 4 1 1698.06 2516.33 81.99 o -1 4 1 11038.98 11239.21 173.30 o 0 4 1 1483.37 1413.05 85.33 o 1 4 1 78811.28 77552.70 1004.85 o 2 4 1 594.93 662.05 35.23 o 3 4 1 1723.89 2208.83 71.09 o 4 4 1 1235.75 1298.52 80.96 o 5 4 1 95912.70 105078.75 1417.49 o 6 4 1 748.97 695.14 101.48 o 7 4 1 6377.91 6857.72 333.49 o 8 4 1 71.19 106.70 54.99 o 9 4 1 33033.43 32463.17 1125.02 o 10 4 1 1110.35 1173.12 114.49 o 11 4 1 9532.53 9399.57 343.02 o 12 4 1 166.70 112.01 39.80 o 13 4 1 11720.54 12146.85 329.18 o 14 4 1 1608.33 1834.33 154.56 o 15 4 1 8973.49 8659.22 544.99 o -15 5 1 1639.51 1796.46 261.97 o -14 5 1 755.35 538.65 147.94 o -13 5 1 102.89 368.01 120.14 o -12 5 1 9067.95 9869.39 379.85 o -11 5 1 359.21 414.39 55.21 o -10 5 1 5470.49 5488.65 177.62 o -9 5 1 712.77 669.68 80.87 o -8 5 1 21033.46 21215.08 351.67 o -7 5 1 3831.35 3906.30 119.15 o -6 5 1 613.41 588.97 39.14 o -5 5 1 11583.66 11639.58 171.66 o -4 5 1 59528.88 61888.86 709.88 o -3 5 1 8269.76 8357.05 158.15 o -2 5 1 47168.80 48635.01 552.27 o -1 5 1 236.49 289.65 22.51 o 0 5 1 11159.30 10814.46 159.55 o 1 5 1 2268.42 2224.78 65.15 o 2 5 1 58872.67 58811.36 549.86 o 3 5 1 3374.82 3395.77 102.37 o 4 5 1 30172.63 31728.72 452.92 o 5 5 1 67.83 146.97 35.42 o 6 5 1 16615.65 17644.55 560.18 o 7 5 1 3146.38 2837.69 216.45 o 8 5 1 3611.51 3385.94 174.22 o 9 5 1 1732.32 1748.03 131.67 o 10 5 1 15535.88 16070.99 447.71 o 11 5 1 1681.70 1680.84 147.55 o 12 5 1 34.45 85.17 49.96 o 13 5 1 1368.12 1490.01 112.12 o 14 5 1 3156.87 3658.74 341.64 o 15 5 1 2.32 -89.37 85.95 o -14 6 1 7589.46 8731.43 544.17 o -13 6 1 1997.11 2165.17 256.74 o -12 6 1 468.78 460.74 61.82 o -11 6 1 280.35 352.67 51.46 o -10 6 1 6774.59 7054.90 200.55 o -9 6 1 936.35 928.99 67.52 o -8 6 1 2485.04 2706.58 104.12 o -7 6 1 98.35 139.45 25.89 o -6 6 1 55430.74 56211.03 580.34 o -5 6 1 4471.92 4311.40 114.81 o -4 6 1 22854.07 23764.12 346.58 o -3 6 1 936.98 994.24 57.77 o -2 6 1 107224.50 109354.82 1462.07 o -1 6 1 1.88 19.45 11.36 o 0 6 1 41509.45 42125.38 474.12 o 1 6 1 135.18 146.53 16.14 o 2 6 1 15757.58 15205.01 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