#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/95/2209583.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_2209583_Fobs loop_ _publ_author_name 'Chen, Shao-Wen' 'Yin, Han-Dong' 'Wang, Da-Qi' _publ_section_title ; (3-Methoxy-2-oxidobenzaldehyde benzoylhydrazonato)dimethyltin(IV) ; _journal_coeditor_code KP2027 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1654 _journal_page_last m1655 _journal_volume 62 _journal_year 2006 _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 103.475 _cell_angle_gamma 90.000 _cell_length_a 26.4774 _cell_length_b 9.5444 _cell_length_c 13.5942 _exptl_crystal_F_000 1664.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file kp2027Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 060509f in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 547.79 _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 2 0 0 216975.66 159718.83 4684.33 o 4 0 0 1031.19 1010.23 46.94 o 6 0 0 11333.20 10541.67 406.33 o 8 0 0 21018.61 21188.54 547.77 o 10 0 0 44205.01 42543.55 962.61 o 12 0 0 93743.46 92494.88 3861.64 o 14 0 0 82579.58 84462.82 3461.36 o 16 0 0 28133.50 28378.58 1428.34 o 18 0 0 9502.37 9552.44 319.92 o 20 0 0 5239.43 5250.49 651.01 o 22 0 0 19793.04 19789.87 605.65 o 24 0 0 27111.29 30852.17 1178.85 o 26 0 0 5862.95 6800.11 437.67 o 28 0 0 7600.00 7817.58 497.33 o 30 0 0 3758.95 4321.17 383.51 o 1 1 0 1039.03 785.69 52.88 o 3 1 0 2073.75 2516.61 81.11 o 5 1 0 1850.67 1843.29 51.27 o 7 1 0 163.08 141.92 46.64 o 9 1 0 18877.80 19586.03 337.99 o 11 1 0 13235.93 13616.53 344.43 o 13 1 0 6429.39 5970.96 315.98 o 15 1 0 1000.15 1048.17 72.75 o 17 1 0 436.98 475.08 72.10 o 19 1 0 758.38 656.52 69.01 o 21 1 0 397.73 266.99 55.66 o 23 1 0 26.17 -3.44 95.26 o 25 1 0 694.72 735.95 125.38 o 27 1 0 291.48 352.97 214.57 o 29 1 0 977.29 1077.70 167.13 o 0 2 0 70818.00 77866.52 2295.84 o 2 2 0 33488.27 33997.29 609.24 o 4 2 0 31245.11 32042.87 937.39 o 6 2 0 1422.98 1586.98 69.82 o 8 2 0 8917.71 8931.80 375.74 o 10 2 0 9483.43 9032.86 188.09 o 12 2 0 11657.63 11138.32 260.35 o 14 2 0 28671.68 27819.70 489.85 o 16 2 0 35126.71 36364.21 627.36 o 18 2 0 2616.03 2245.32 101.03 o 20 2 0 361.64 233.04 52.96 o 22 2 0 3.09 -26.28 49.91 o 24 2 0 4596.86 4093.08 234.83 o 26 2 0 5164.36 5640.44 283.34 o 28 2 0 4510.94 5074.48 279.98 o 30 2 0 1336.00 1457.15 196.91 o 1 3 0 86159.73 89741.73 1434.73 o 3 3 0 64293.07 66261.55 1168.73 o 5 3 0 32277.00 36660.45 852.60 o 7 3 0 3878.61 3112.27 203.32 o 9 3 0 73609.82 78282.33 2140.87 o 11 3 0 30805.94 32616.77 606.30 o 13 3 0 41237.48 43561.38 723.25 o 15 3 0 39003.59 42795.72 723.39 o 17 3 0 12821.62 12470.99 345.50 o 19 3 0 1434.33 1560.50 102.62 o 21 3 0 1388.93 1462.53 106.82 o 23 3 0 4486.56 4365.72 307.15 o 25 3 0 7544.99 7143.38 325.69 o 27 3 0 6149.84 6481.80 536.64 o 29 3 0 3046.32 3280.37 347.77 o 0 4 0 8.30 24.47 45.36 o 2 4 0 226.28 195.77 34.37 o 4 4 0 777.40 637.73 63.85 o 6 4 0 681.79 649.84 61.53 o 8 4 0 2262.53 2729.36 109.26 o 10 4 0 2342.11 2166.62 86.68 o 12 4 0 2929.59 2409.56 96.63 o 14 4 0 2618.43 2498.61 104.25 o 16 4 0 2225.51 2002.63 98.43 o 18 4 0 1892.98 1941.43 108.34 o 20 4 0 257.49 210.73 69.72 o 22 4 0 168.28 154.04 71.10 o 24 4 0 328.52 406.42 109.76 o 26 4 0 388.58 523.39 126.78 o 28 4 0 196.22 153.91 123.58 o 1 5 0 48904.37 50598.61 1743.26 o 3 5 0 37807.93 41028.64 722.05 o 5 5 0 11131.59 11874.14 267.96 o 7 5 0 1476.60 1569.25 88.09 o 9 5 0 2353.35 1996.97 118.06 o 11 5 0 27043.76 26643.55 564.72 o 13 5 0 18701.73 19266.71 404.55 o 15 5 0 17374.00 17282.58 670.69 o 17 5 0 11834.43 12291.00 395.02 o 19 5 0 1214.82 1299.59 152.02 o 21 5 0 222.84 60.02 58.52 o 23 5 0 2722.81 2657.60 175.23 o 25 5 0 5600.03 6083.22 864.89 o 27 5 0 4444.60 4213.86 313.54 o 0 6 0 10589.78 10772.68 483.58 o 2 6 0 7472.82 7579.01 272.58 o 4 6 0 11.66 1.79 41.12 o 6 6 0 700.65 580.38 146.45 o 8 6 0 806.05 761.19 85.07 o 10 6 0 1672.65 1463.80 133.00 o 12 6 0 2717.75 2649.23 135.70 o 14 6 0 5751.29 5469.66 177.79 o 16 6 0 2125.20 2059.88 165.89 o 18 6 0 788.40 619.39 91.50 o 20 6 0 48.73 45.04 61.70 o 22 6 0 1264.31 1240.36 225.55 o 24 6 0 1320.04 1326.36 176.00 o 26 6 0 867.55 1003.34 193.13 o 1 7 0 18003.14 18098.61 519.91 o 3 7 0 11513.59 11506.02 378.44 o 5 7 0 2400.27 2616.66 123.52 o 7 7 0 932.41 901.36 140.59 o 9 7 0 2568.45 2585.31 165.89 o 11 7 0 3051.61 3101.64 413.90 o 13 7 0 5943.57 5831.84 221.05 o 15 7 0 9716.71 9398.07 261.41 o 17 7 0 4485.06 4258.88 172.29 o 19 7 0 150.81 168.07 85.12 o 21 7 0 59.87 86.34 80.36 o 23 7 0 160.32 40.26 85.91 o 0 8 0 8721.93 9247.71 484.41 o 2 8 0 8827.55 8755.15 333.55 o 4 8 0 1451.60 1823.46 184.73 o 6 8 0 14.37 -23.52 50.30 o 8 8 0 2227.58 2179.64 169.48 o 10 8 0 3489.64 3413.83 406.65 o 12 8 0 2846.50 3026.78 165.55 o 14 8 0 7690.92 7694.85 427.19 o 16 8 0 2943.81 3256.31 181.43 o 18 8 0 1916.68 2079.02 145.70 o 20 8 0 238.34 205.98 99.78 o 1 9 0 812.14 731.49 134.30 o 3 9 0 88.84 43.64 78.11 o 5 9 0 273.49 155.91 91.64 o 7 9 0 187.01 188.53 133.20 o 9 9 0 22.37 -63.22 63.22 o 11 9 0 217.92 211.88 82.64 o 13 9 0 416.98 404.19 89.48 o 15 9 0 178.05 216.10 73.85 o 17 9 0 618.66 624.91 99.14 o 0 10 0 11221.63 11158.94 609.22 o 2 10 0 8807.96 8857.17 372.28 o 4 10 0 3163.86 3207.51 222.19 o 6 10 0 525.38 635.91 132.53 o 8 10 0 334.76 289.84 112.88 o 10 10 0 3973.87 4070.49 258.14 o 12 10 0 4790.52 4548.85 209.29 o 14 10 0 3986.34 4024.28 203.91 o 1 11 0 561.02 430.06 129.13 o 3 11 0 17.85 -102.17 102.17 o 5 11 0 0.80 30.57 149.97 o 7 11 0 104.64 57.81 115.70 o -29 1 1 57.23 9.34 99.64 o -27 1 1 1292.83 1324.17 163.86 o -25 1 1 8592.97 8694.46 351.43 o -23 1 1 9749.95 9407.35 254.43 o -21 1 1 11979.65 11514.60 401.15 o -19 1 1 13661.10 13252.13 304.00 o -17 1 1 10444.19 10192.56 234.79 o -15 1 1 54.89 46.44 30.24 o -13 1 1 15694.82 15743.80 312.92 o -11 1 1 23466.93 21979.98 399.94 o -9 1 1 97352.06 101437.61 1723.55 o -7 1 1 80625.68 81072.79 1226.23 o -5 1 1 122120.54 123139.23 2553.72 o -3 1 1 151.86 141.92 13.93 o -1 1 1 31237.66 32239.08 463.48 o 1 1 1 10220.36 11490.45 192.28 o 3 1 1 95805.00 99768.82 2342.77 o 5 1 1 80883.70 81635.77 1467.39 o 7 1 1 61517.88 62259.83 860.38 o 9 1 1 21925.02 23228.85 351.63 o 11 1 1 29681.64 30518.31 602.56 o 13 1 1 8.08 -2.35 26.38 o 15 1 1 9365.21 10474.30 229.67 o 17 1 1 23670.70 25168.70 462.55 o 19 1 1 26729.15 27628.53 509.71 o 21 1 1 1896.99 2061.11 174.93 o 23 1 1 2462.24 2642.46 207.40 o 25 1 1 1925.07 2201.33 290.73 o 27 1 1 67.60 2.79 91.19 o 29 1 1 2051.45 2207.68 226.37 o -30 2 1 191.03 202.61 116.80 o -28 2 1 45.89 197.77 99.10 o -26 2 1 1281.94 1378.28 167.95 o -24 2 1 3239.27 3147.46 182.77 o -22 2 1 8979.43 8738.59 235.05 o -20 2 1 2652.76 2356.71 165.63 o -18 2 1 2902.26 2935.81 115.40 o -16 2 1 3461.52 3384.03 117.88 o -14 2 1 584.85 738.80 59.74 o -12 2 1 8969.65 8531.11 188.36 o -10 2 1 27429.79 27035.65 456.30 o -8 2 1 49572.56 49769.88 780.12 o -6 2 1 45819.79 47845.39 744.27 o -4 2 1 3677.47 3418.90 140.75 o -2 2 1 16677.15 15987.69 251.46 o 0 2 1 3941.09 4191.82 180.07 o 2 2 1 2975.17 3095.39 104.67 o 4 2 1 10602.71 10711.61 270.66 o 6 2 1 26455.24 27727.43 580.81 o 8 2 1 20779.81 22383.91 441.91 o 10 2 1 2730.76 2630.10 71.20 o 12 2 1 2502.51 2702.49 127.90 o 14 2 1 3513.10 3725.26 117.69 o 16 2 1 3505.38 3710.29 124.22 o 18 2 1 2643.16 2760.83 110.91 o 20 2 1 12312.89 12080.47 328.07 o 22 2 1 6117.23 6850.80 361.52 o 24 2 1 2183.03 2348.93 382.41 o 26 2 1 232.30 274.24 129.35 o 28 2 1 456.34 531.65 137.06 o -29 3 1 4.63 29.67 130.45 o -27 3 1 480.90 590.60 197.25 o -25 3 1 1264.83 1505.54 158.77 o -23 3 1 5353.37 5297.48 182.78 o -21 3 1 8727.77 8687.12 234.77 o -19 3 1 4368.23 4241.68 147.55 o -17 3 1 3065.80 2842.35 113.17 o -15 3 1 428.67 467.48 53.98 o -13 3 1 124.86 146.73 37.01 o -11 3 1 18620.44 20081.59 409.24 o -9 3 1 56406.15 59958.90 2004.05 o -7 3 1 23299.92 24324.63 475.33 o -5 3 1 21924.84 23746.69 803.46 o -3 3 1 9166.04 10123.52 459.23 o -1 3 1 9606.95 10586.87 254.80 o 1 3 1 1617.79 1631.12 91.74 o 3 3 1 14451.68 13505.15 344.35 o 5 3 1 30519.24 29722.77 677.93 o 7 3 1 31771.76 33026.52 1352.16 o 9 3 1 40498.38 43721.43 632.49 o 11 3 1 5917.60 6237.94 131.28 o 13 3 1 4726.66 5107.27 142.41 o 15 3 1 6261.46 6371.37 172.26 o 17 3 1 7282.85 7178.86 192.80 o 19 3 1 15319.86 15490.53 336.07 o 21 3 1 6481.54 6665.73 264.04 o 23 3 1 3187.70 3158.55 210.68 o 25 3 1 1100.62 1478.47 259.37 o 27 3 1 100.94 -8.27 93.27 o 29 3 1 128.65 -73.47 108.31 o -28 4 1 5.59 -11.18 103.32 o -26 4 1 1967.71 2165.82 212.18 o -24 4 1 9072.85 8971.94 443.67 o -22 4 1 11085.90 11312.55 359.19 o -20 4 1 14171.60 14166.98 441.85 o -18 4 1 10643.02 10654.88 579.15 o -16 4 1 342.14 331.40 53.60 o -14 4 1 1691.90 1600.23 87.93 o -12 4 1 16901.51 16452.97 604.20 o -10 4 1 32413.77 33733.04 1372.33 o -8 4 1 35661.03 37557.25 798.93 o -6 4 1 55771.74 59038.51 1214.71 o -4 4 1 19665.31 20652.28 677.75 o -2 4 1 560.78 567.52 119.51 o 0 4 1 402.17 297.03 37.81 o 2 4 1 26953.39 26221.55 793.14 o 4 4 1 72047.80 71618.28 3823.84 o 6 4 1 49648.45 47776.62 889.61 o 8 4 1 43331.24 41538.46 680.48 o 10 4 1 17314.71 17519.44 325.92 o 12 4 1 118.40 357.79 231.10 o 14 4 1 2420.24 2220.43 98.17 o 16 4 1 11236.15 11380.26 357.96 o 18 4 1 19314.79 20002.39 410.66 o 20 4 1 10742.84 10790.40 322.59 o 22 4 1 5994.61 5606.35 282.45 o 24 4 1 1238.75 1174.16 163.68 o 26 4 1 392.33 521.44 143.64 o 28 4 1 913.27 895.78 168.39 o -27 5 1 9.29 16.38 103.86 o -25 5 1 50.01 -58.69 71.26 o -23 5 1 3.49 -57.21 57.21 o -21 5 1 504.68 360.52 71.94 o -19 5 1 49.68 -26.44 48.26 o -17 5 1 329.46 272.72 58.89 o -15 5 1 89.53 98.24 44.82 o -13 5 1 342.16 275.22 51.17 o -11 5 1 3.04 13.62 47.50 o -9 5 1 85.23 67.86 39.10 o -7 5 1 737.94 750.81 68.13 o -5 5 1 135.98 43.61 29.26 o -3 5 1 365.04 204.52 94.43 o -1 5 1 3233.65 3999.44 170.26 o 1 5 1 2.92 -26.55 26.55 o 3 5 1 2915.03 3083.44 113.71 o 5 5 1 53.34 -20.27 36.23 o 7 5 1 21.68 57.57 46.85 o 9 5 1 1.19 -34.64 34.64 o 11 5 1 261.23 373.05 76.98 o 13 5 1 22.18 52.71 38.12 o 15 5 1 3.39 5.80 41.52 o 17 5 1 239.28 168.50 54.94 o 19 5 1 13.24 -28.61 55.28 o 21 5 1 558.21 266.57 81.87 o 23 5 1 511.45 444.30 119.36 o 25 5 1 57.32 81.81 110.67 o -26 6 1 909.64 1080.91 174.86 o -24 6 1 2605.95 2893.80 259.85 o -22 6 1 7726.99 8016.18 304.08 o -20 6 1 7953.10 7848.53 256.42 o -18 6 1 3255.69 3385.61 144.43 o -16 6 1 5027.50 4973.06 172.19 o -14 6 1 137.79 163.78 56.98 o -12 6 1 13770.50 13895.39 312.10 o -10 6 1 19515.25 20080.88 1097.83 o -8 6 1 25423.91 26568.04 483.50 o -6 6 1 20269.72 19711.76 366.19 o -4 6 1 16334.18 15797.57 925.24 o -2 6 1 3964.88 3959.03 447.02 o 0 6 1 2839.53 3020.24 212.65 o 2 6 1 30961.90 33189.46 619.68 o 4 6 1 23298.62 21677.41 439.25 o 6 6 1 33497.39 32609.20 926.05 o 8 6 1 39773.89 43936.41 2187.25 o 10 6 1 14277.17 15108.73 808.40 o 12 6 1 235.13 171.15 62.84 o 14 6 1 3062.47 2768.58 124.04 o 16 6 1 4003.37 3908.79 258.64 o 18 6 1 9106.02 9667.19 339.03 o 20 6 1 9193.91 9150.22 310.68 o 22 6 1 3937.35 3839.25 245.04 o 24 6 1 615.32 751.41 148.19 o -23 7 1 2415.35 2636.90 241.47 o -21 7 1 2836.67 2986.88 172.29 o -19 7 1 5775.03 5521.78 379.51 o -17 7 1 753.08 797.09 96.68 o -15 7 1 54.97 36.44 55.32 o -13 7 1 640.56 432.24 72.03 o -11 7 1 5752.28 5791.04 177.81 o -9 7 1 13598.99 13547.99 296.36 o -7 7 1 12669.44 13536.03 328.16 o -5 7 1 7950.55 7947.77 566.88 o -3 7 1 4681.65 4480.27 212.07 o -1 7 1 60.67 -26.85 53.66 o 1 7 1 1325.63 1371.14 135.09 o 3 7 1 7120.56 7015.82 211.46 o 5 7 1 9750.37 9582.85 370.91 o 7 7 1 1675.99 1482.74 111.78 o 9 7 1 10878.29 11211.69 642.76 o 11 7 1 2460.90 2271.26 169.63 o 13 7 1 848.11 832.82 229.42 o 15 7 1 4660.64 4581.93 197.78 o 17 7 1 8138.11 7616.97 348.56 o 19 7 1 4195.04 4464.45 213.88 o 21 7 1 2442.51 2500.29 190.25 o 23 7 1 502.76 480.28 144.32 o -22 8 1 1362.85 1606.98 163.80 o -20 8 1 1313.27 1320.89 127.10 o -18 8 1 1065.49 1169.92 191.78 o -16 8 1 621.97 628.35 153.29 o -14 8 1 297.63 312.45 67.31 o -12 8 1 2912.89 2794.45 146.37 o -10 8 1 947.91 963.92 107.02 o -8 8 1 3542.58 3694.75 202.07 o -6 8 1 12974.50 13921.29 679.32 o -4 8 1 4335.67 4571.00 231.31 o -2 8 1 465.55 443.99 101.76 o 0 8 1 425.69 391.57 89.57 o 2 8 1 4951.00 5215.85 244.64 o 4 8 1 4229.80 4390.30 225.06 o 6 8 1 2287.83 2283.85 133.28 o 8 8 1 3895.73 3921.60 173.69 o 10 8 1 756.29 696.55 101.01 o 12 8 1 310.02 394.78 145.71 o 14 8 1 105.35 24.01 102.54 o 16 8 1 2538.04 2642.15 284.91 o 18 8 1 3085.01 3207.84 236.66 o 20 8 1 1645.67 2184.46 243.85 o -19 9 1 2277.40 2374.63 164.22 o -17 9 1 1540.61 1635.09 198.75 o -15 9 1 336.34 262.85 77.67 o -13 9 1 214.35 200.88 81.87 o -11 9 1 3090.92 3251.63 173.05 o -9 9 1 12677.69 13090.81 462.48 o -7 9 1 19213.13 19349.84 597.02 o -5 9 1 3021.88 2731.17 202.76 o -3 9 1 448.35 332.78 204.13 o -1 9 1 50.57 -17.98 71.53 o 1 9 1 1511.06 1503.43 168.62 o 3 9 1 4043.48 3943.01 248.39 o 5 9 1 14749.35 15903.09 520.01 o 7 9 1 8964.46 9534.22 289.78 o 9 9 1 3619.48 3331.09 170.57 o 11 9 1 848.96 796.15 107.28 o 13 9 1 198.91 46.24 74.42 o 15 9 1 2978.83 3117.48 163.85 o 17 9 1 3608.61 3978.76 611.42 o -14 10 1 56.05 102.15 75.76 o -12 10 1 28.87 -10.15 96.29 o -10 10 1 76.42 91.75 104.01 o -8 10 1 16.73 68.69 93.66 o -6 10 1 136.48 159.53 101.91 o -4 10 1 1494.89 1789.88 217.58 o -2 10 1 12.17 3.80 88.58 o 0 10 1 254.66 260.96 118.57 o 2 10 1 405.83 318.52 186.67 o 4 10 1 114.34 -58.65 87.66 o 6 10 1 380.48 385.59 114.76 o 8 10 1 143.01 54.66 104.82 o 10 10 1 7.30 -38.40 72.49 o 12 10 1 1.54 -49.67 75.74 o -7 11 1 2842.65 3021.33 238.52 o -5 11 1 2135.18 2303.53 335.81 o -3 11 1 411.61 382.87 234.51 o -1 11 1 77.55 -34.27 98.07 o 1 11 1 855.28 1315.78 229.14 o 3 11 1 2753.23 3172.09 229.87 o 5 11 1 3483.14 3735.57 269.30 o -30 0 2 5291.46 5460.70 406.33 o -28 0 2 7211.87 7931.40 484.41 o -26 0 2 2651.25 2460.36 174.37 o -24 0 2 7080.56 7145.81 298.87 o -22 0 2 3279.11 2964.71 178.97 o -20 0 2 8455.32 8122.41 300.00 o -18 0 2 40238.50 39766.54 967.61 o -16 0 2 38595.57 38462.40 924.78 o -14 0 2 69741.37 74309.77 1652.29 o -12 0 2 13640.83 12739.74 926.47 o -10 0 2 707.32 636.19 130.59 o -8 0 2 13.51 9.88 24.17 o -6 0 2 57948.75 55290.34 2213.37 o -4 0 2 48125.88 46065.33 1460.92 o -2 0 2 300072.38 200364.39 6073.50 o 0 0 2 165464.98 154451.11 5273.08 o 2 0 2 46037.73 45191.89 993.23 o 4 0 2 2343.73 2405.07 94.55 o 6 0 2 4105.08 4036.00 119.44 o 8 0 2 22772.96 23357.40 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