#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/64/2216426.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_2216426_Fobs loop_ _publ_author_name 'Cui, Jichun' 'Yin, Handong' 'Qiao, Yanling' _publ_section_title ; [4-Chloro-N'-(3-methoxy-2-oxidobenzylidene)benzohydrazidato]diphenyltin(IV) ; _journal_coeditor_code DN2284 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m3189 _journal_volume 63 _journal_year 2007 _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 103.238 _cell_angle_gamma 90.000 _cell_length_a 19.1785 _cell_length_b 27.9682 _cell_length_c 9.4230 _exptl_crystal_F_000 2304.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file dn2284Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070328d in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 698.68 _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 40918.89 42909.89 509.15 o 3 0 0 129809.91 130832.25 1436.19 o 4 0 0 26618.37 28221.63 385.78 o 5 0 0 56714.19 58709.57 2074.72 o 6 0 0 106486.51 106046.25 1864.64 o 7 0 0 743.62 716.77 85.22 o 8 0 0 63324.60 63010.75 832.27 o 9 0 0 40590.15 40774.99 871.66 o 10 0 0 21.64 166.46 81.66 o 11 0 0 66415.03 63910.18 906.35 o 12 0 0 4999.16 5131.30 380.26 o 13 0 0 4.06 -78.83 84.39 o 14 0 0 17380.70 16625.41 415.36 o 15 0 0 331.69 390.91 132.61 o 16 0 0 368.09 349.26 214.67 o 17 0 0 8809.10 8708.40 526.28 o 18 0 0 1562.59 1274.98 345.87 o 19 0 0 2450.75 2055.03 352.14 o 21 0 0 93.93 278.83 298.61 o 22 0 0 1527.76 1829.76 416.29 o 1 1 0 204.63 244.06 20.53 o 2 1 0 1146.33 1219.87 45.29 o 3 1 0 2909.64 3178.86 60.78 o 4 1 0 10337.42 11542.02 144.91 o 5 1 0 94.26 164.21 46.16 o 6 1 0 263.34 232.91 53.66 o 7 1 0 765.29 958.47 75.20 o 8 1 0 1098.09 1196.49 98.08 o 9 1 0 2153.00 2191.44 91.78 o 10 1 0 834.33 790.52 81.24 o 11 1 0 2378.07 2261.57 190.78 o 12 1 0 304.40 214.78 73.04 o 13 1 0 1141.81 1483.65 116.25 o 14 1 0 194.06 380.87 89.98 o 15 1 0 1326.88 1609.52 165.50 o 16 1 0 1204.99 1116.55 220.98 o 17 1 0 179.79 183.43 160.38 o 18 1 0 56.21 -138.71 159.80 o 19 1 0 207.82 119.59 189.66 o 20 1 0 104.96 22.15 171.30 o 21 1 0 17.11 -31.20 195.05 o 22 1 0 23.65 75.06 202.00 o 0 2 0 3672.85 3789.29 106.12 o 1 2 0 89447.36 88736.23 845.64 o 2 2 0 94.22 86.40 19.68 o 3 2 0 1940.26 1980.65 90.72 o 4 2 0 5385.42 5593.16 104.87 o 5 2 0 3233.76 3379.14 83.86 o 6 2 0 5277.32 5628.74 110.79 o 7 2 0 7249.57 7334.58 136.75 o 8 2 0 428.36 672.27 70.26 o 9 2 0 33.95 8.75 43.51 o 10 2 0 17874.69 17719.93 262.97 o 11 2 0 908.50 1048.79 92.76 o 12 2 0 14.15 -68.62 54.37 o 13 2 0 6933.15 6904.10 182.11 o 14 2 0 1377.90 1637.82 127.25 o 15 2 0 46.58 75.82 95.15 o 16 2 0 2503.61 2664.55 278.67 o 17 2 0 988.93 986.87 224.26 o 18 2 0 2266.29 2773.89 299.61 o 19 2 0 537.98 577.54 226.98 o 20 2 0 1150.04 1158.20 252.53 o 21 2 0 1768.95 2029.51 299.30 o 22 2 0 19.67 -63.75 195.74 o 1 3 0 4432.39 4400.46 101.87 o 2 3 0 1456.20 1459.61 40.43 o 3 3 0 1797.81 1913.35 53.10 o 4 3 0 7964.69 7693.79 118.89 o 5 3 0 7702.06 7714.65 126.23 o 6 3 0 1274.58 1268.12 61.28 o 7 3 0 286.59 384.59 54.51 o 8 3 0 3282.07 3261.81 99.22 o 9 3 0 283.44 305.05 59.34 o 10 3 0 345.92 619.24 78.65 o 11 3 0 774.79 829.39 88.24 o 12 3 0 1667.52 1617.21 102.32 o 13 3 0 27.57 165.28 76.53 o 14 3 0 260.83 213.10 83.07 o 15 3 0 347.01 451.56 123.91 o 16 3 0 818.38 1103.16 156.66 o 17 3 0 753.47 682.59 198.93 o 18 3 0 38.46 320.53 183.69 o 19 3 0 925.78 665.91 204.60 o 20 3 0 46.90 -122.92 179.19 o 21 3 0 59.25 212.43 184.16 o 22 3 0 195.22 -17.88 200.63 o 0 4 0 11946.24 12156.45 287.98 o 1 4 0 51122.03 52367.83 605.41 o 2 4 0 78121.27 80339.35 664.99 o 3 4 0 3733.79 3587.21 99.85 o 4 4 0 64168.76 64306.16 1314.25 o 5 4 0 732.87 741.11 54.04 o 6 4 0 4.04 26.79 33.59 o 7 4 0 89039.38 88986.87 1600.56 o 8 4 0 137.01 157.93 61.47 o 9 4 0 15989.75 15849.48 237.79 o 10 4 0 39667.54 37957.35 431.19 o 11 4 0 1065.13 1123.99 97.55 o 12 4 0 4473.31 4216.23 142.27 o 13 4 0 15643.03 15407.33 357.25 o 14 4 0 376.18 479.87 125.57 o 15 4 0 7428.00 7626.55 368.75 o 16 4 0 6164.70 5884.78 233.49 o 17 4 0 589.20 681.23 199.73 o 18 4 0 6402.65 6518.30 337.32 o 19 4 0 831.67 1187.28 242.81 o 20 4 0 38.95 -245.64 163.76 o 21 4 0 3640.44 4251.57 952.15 o 22 4 0 83.23 27.39 284.37 o 1 5 0 512.60 614.69 44.51 o 2 5 0 27128.25 28312.05 263.08 o 3 5 0 19817.12 21268.98 221.54 o 4 5 0 10850.65 10752.28 270.77 o 5 5 0 2676.63 2692.91 78.95 o 6 5 0 2078.42 2188.15 78.56 o 7 5 0 210.45 256.91 69.77 o 8 5 0 2199.66 2246.85 88.72 o 9 5 0 681.63 670.55 106.68 o 10 5 0 110.19 150.10 71.68 o 11 5 0 1795.81 2354.89 257.70 o 12 5 0 2506.64 2801.56 275.10 o 13 5 0 77.56 209.03 101.26 o 14 5 0 490.10 664.50 134.19 o 15 5 0 2110.66 2146.19 204.20 o 16 5 0 1118.61 1067.89 158.68 o 17 5 0 1133.19 853.52 212.45 o 18 5 0 631.27 601.87 220.46 o 19 5 0 381.60 252.49 195.35 o 20 5 0 856.30 979.48 241.03 o 21 5 0 160.80 281.57 200.90 o 0 6 0 41881.71 42322.32 708.13 o 1 6 0 2637.11 3024.63 118.14 o 2 6 0 137.08 133.13 35.44 o 3 6 0 5419.98 5744.78 121.81 o 4 6 0 10438.09 10699.37 194.48 o 5 6 0 101.46 131.12 41.83 o 6 6 0 9973.43 9999.90 161.47 o 7 6 0 465.64 452.64 59.10 o 8 6 0 9955.55 9869.34 177.44 o 9 6 0 23903.41 24283.49 315.09 o 10 6 0 286.19 250.23 67.27 o 11 6 0 22685.49 22415.69 321.85 o 12 6 0 5094.48 4903.48 154.06 o 13 6 0 307.97 326.19 89.43 o 14 6 0 10161.05 10211.26 286.27 o 15 6 0 531.32 816.27 149.07 o 16 6 0 20.46 -83.19 103.08 o 17 6 0 1685.34 1925.10 196.59 o 18 6 0 9.63 -140.05 162.86 o 19 6 0 1608.61 1388.92 254.08 o 20 6 0 1779.28 1840.56 288.09 o 21 6 0 3.01 -56.79 185.27 o 1 7 0 876.70 1106.73 68.47 o 2 7 0 40304.54 43490.32 384.51 o 3 7 0 10.55 37.33 33.65 o 4 7 0 8077.48 8435.65 145.24 o 5 7 0 4500.61 4428.58 119.62 o 6 7 0 8965.40 9053.39 155.62 o 7 7 0 1380.62 1467.76 129.88 o 8 7 0 5325.24 4998.29 129.29 o 9 7 0 2733.79 2652.92 148.66 o 10 7 0 3977.87 4058.46 128.24 o 11 7 0 40.38 101.00 93.51 o 12 7 0 3590.21 3707.03 138.05 o 13 7 0 1852.99 2146.09 181.03 o 14 7 0 78.46 352.51 115.84 o 15 7 0 900.09 1084.23 205.18 o 16 7 0 585.49 482.77 138.69 o 17 7 0 137.30 51.38 124.66 o 18 7 0 139.88 -30.10 149.00 o 19 7 0 1457.30 815.18 228.97 o 20 7 0 93.85 -74.01 178.70 o 21 7 0 13.94 -182.16 226.24 o 0 8 0 55983.86 58406.25 695.25 o 1 8 0 7355.29 7887.68 141.24 o 2 8 0 8782.17 9091.21 251.84 o 3 8 0 50518.34 51090.61 467.24 o 4 8 0 9.89 28.58 36.42 o 5 8 0 10554.73 10990.30 166.60 o 6 8 0 19934.48 20102.29 296.74 o 7 8 0 6136.90 6048.12 151.66 o 8 8 0 13400.65 13232.84 214.79 o 9 8 0 3038.66 2928.59 111.51 o 10 8 0 2080.08 1900.72 105.58 o 11 8 0 8043.69 7888.29 191.61 o 12 8 0 346.59 452.72 94.06 o 13 8 0 94.41 103.14 98.58 o 14 8 0 8811.04 8888.87 271.35 o 15 8 0 38.43 32.88 110.87 o 16 8 0 1273.62 1545.05 179.17 o 17 8 0 897.74 902.25 164.33 o 18 8 0 42.76 -67.25 225.76 o 19 8 0 212.06 170.07 177.24 o 20 8 0 641.86 406.50 194.12 o 21 8 0 3.10 -231.53 154.35 o 1 9 0 13266.14 13615.50 237.67 o 2 9 0 3273.14 3100.10 69.93 o 3 9 0 2588.44 2686.86 107.17 o 4 9 0 1253.44 1402.40 96.22 o 5 9 0 11400.49 11939.03 177.22 o 6 9 0 5849.82 5935.40 130.13 o 7 9 0 1288.56 1527.20 106.68 o 8 9 0 8058.25 7917.52 165.14 o 9 9 0 5553.73 5593.94 147.15 o 10 9 0 682.89 982.86 137.66 o 11 9 0 3973.25 3892.57 140.31 o 12 9 0 5398.76 5377.20 168.54 o 13 9 0 5712.01 6135.21 226.69 o 14 9 0 684.56 1006.79 186.92 o 15 9 0 6.93 -0.81 108.16 o 16 9 0 3372.95 3432.98 206.99 o 17 9 0 77.56 -106.49 102.44 o 18 9 0 370.30 174.56 135.48 o 19 9 0 769.95 533.37 209.05 o 20 9 0 185.83 106.50 193.01 o 21 9 0 27.88 -148.20 162.77 o 0 10 0 32354.28 34793.57 782.90 o 1 10 0 12523.29 12729.72 259.17 o 2 10 0 12146.69 12039.76 183.39 o 3 10 0 23815.76 24857.35 265.50 o 4 10 0 19956.86 20360.76 240.97 o 5 10 0 31186.81 31530.08 338.12 o 6 10 0 5969.12 5569.01 128.24 o 7 10 0 6840.32 6450.35 143.30 o 8 10 0 2591.28 2398.32 101.38 o 9 10 0 15465.24 15904.09 251.79 o 10 10 0 10849.55 10195.20 207.86 o 11 10 0 3627.67 3584.95 140.24 o 12 10 0 6745.75 6659.84 224.88 o 13 10 0 11347.49 11771.67 304.02 o 14 10 0 1171.89 1552.55 171.19 o 15 10 0 4876.46 4500.45 217.38 o 16 10 0 1471.46 1939.51 197.93 o 17 10 0 437.30 415.56 138.43 o 18 10 0 1007.59 1128.15 183.39 o 19 10 0 551.73 386.77 197.35 o 20 10 0 325.20 138.96 192.45 o 21 10 0 1271.74 1359.26 273.04 o 1 11 0 11853.34 12135.33 199.24 o 2 11 0 9030.37 8948.15 165.71 o 3 11 0 2552.72 2611.10 83.25 o 4 11 0 9319.64 9609.99 162.92 o 5 11 0 11411.47 11426.56 191.82 o 6 11 0 16822.44 16782.66 233.03 o 7 11 0 253.43 289.02 62.53 o 8 11 0 3509.55 3154.33 114.06 o 9 11 0 10828.53 10174.21 200.14 o 10 11 0 1866.33 2143.79 146.49 o 11 11 0 89.46 100.61 76.52 o 12 11 0 10638.90 10268.17 276.59 o 13 11 0 2575.57 3071.84 185.60 o 14 11 0 117.75 148.97 117.52 o 15 11 0 1707.62 2072.77 192.33 o 16 11 0 528.76 590.33 147.95 o 17 11 0 963.69 1037.29 202.41 o 18 11 0 155.52 50.41 132.84 o 19 11 0 1213.16 1377.94 253.62 o 20 11 0 270.93 151.19 190.12 o 0 12 0 899.92 912.23 172.69 o 1 12 0 791.07 893.68 72.79 o 2 12 0 1169.14 1100.66 51.46 o 3 12 0 338.91 346.97 50.62 o 4 12 0 485.09 663.22 65.36 o 5 12 0 430.47 583.59 69.10 o 6 12 0 4298.64 4807.06 126.20 o 7 12 0 7036.00 7000.76 153.95 o 8 12 0 6.92 -14.71 54.32 o 9 12 0 3.65 20.18 63.11 o 10 12 0 532.01 550.69 89.37 o 11 12 0 437.98 484.45 93.45 o 12 12 0 579.37 600.66 120.80 o 13 12 0 645.23 595.16 127.69 o 14 12 0 23.25 -29.27 103.84 o 15 12 0 4.84 -71.33 103.56 o 16 12 0 176.78 111.15 119.22 o 17 12 0 245.79 -38.48 124.65 o 18 12 0 312.85 313.29 181.07 o 19 12 0 5.19 -273.99 237.33 o 20 12 0 45.27 -97.92 259.04 o 1 13 0 1239.37 1096.72 75.84 o 2 13 0 4935.84 4937.58 95.62 o 3 13 0 3730.46 4071.22 95.44 o 4 13 0 399.44 373.64 55.59 o 5 13 0 15507.35 15867.49 222.28 o 6 13 0 3269.12 3262.96 108.90 o 7 13 0 7.09 32.40 68.24 o 8 13 0 4242.06 4102.14 130.48 o 9 13 0 7082.55 6972.79 170.72 o 10 13 0 614.95 711.51 96.74 o 11 13 0 1410.52 1701.75 132.03 o 12 13 0 3479.70 3763.63 183.97 o 13 13 0 447.01 420.79 129.00 o 14 13 0 71.32 20.04 108.47 o 15 13 0 1616.27 2307.69 203.09 o 16 13 0 1653.46 2219.84 211.39 o 17 13 0 182.99 246.62 169.69 o 18 13 0 1599.82 1998.77 265.64 o 19 13 0 140.46 185.42 186.47 o 20 13 0 472.35 372.89 286.07 o 0 14 0 5410.99 5582.10 314.51 o 1 14 0 14544.29 13918.26 313.31 o 2 14 0 22696.65 23057.93 256.99 o 3 14 0 16916.91 17524.29 219.97 o 4 14 0 8964.17 9048.99 153.14 o 5 14 0 6740.71 6696.15 142.00 o 6 14 0 7249.30 7525.53 158.02 o 7 14 0 21842.97 21774.61 303.50 o 8 14 0 5060.41 5173.14 145.79 o 9 14 0 7880.24 7737.28 183.87 o 10 14 0 7910.59 7804.25 221.34 o 11 14 0 4955.65 4779.63 190.90 o 12 14 0 4427.39 4587.79 196.46 o 13 14 0 2570.31 2894.95 192.84 o 14 14 0 1660.56 1807.43 301.03 o 15 14 0 4173.67 4165.49 266.64 o 16 14 0 2362.20 2701.90 333.11 o 17 14 0 2776.11 2988.46 305.93 o 18 14 0 2081.11 2069.76 276.20 o 19 14 0 533.30 635.96 212.04 o 20 14 0 654.59 533.03 312.10 o 1 15 0 16054.72 15575.10 313.92 o 2 15 0 30682.11 30651.43 396.87 o 3 15 0 595.95 635.52 71.72 o 4 15 0 7141.66 7606.97 142.12 o 5 15 0 18422.99 18247.41 248.40 o 6 15 0 16135.77 16781.09 245.48 o 7 15 0 371.83 493.33 79.40 o 8 15 0 10512.50 10499.92 205.67 o 9 15 0 3950.52 4046.27 202.54 o 10 15 0 3144.41 3012.39 133.18 o 11 15 0 2642.07 2919.31 230.80 o 12 15 0 4897.53 4892.44 263.60 o 13 15 0 2601.99 2902.01 243.74 o 14 15 0 26.54 -122.50 205.50 o 15 15 0 2511.13 2601.68 273.21 o 16 15 0 824.58 1518.44 379.17 o 17 15 0 122.30 137.04 169.67 o 18 15 0 50.01 76.57 155.17 o 19 15 0 1617.54 1936.26 679.70 o 0 16 0 3018.24 2651.74 250.84 o 1 16 0 3227.21 3661.40 199.07 o 2 16 0 1113.98 1583.70 73.26 o 3 16 0 4325.08 4217.70 98.96 o 4 16 0 2668.48 2707.61 89.44 o 5 16 0 99.73 141.80 55.80 o 6 16 0 6606.95 6905.70 296.54 o 7 16 0 66.82 101.07 84.99 o 8 16 0 2031.36 2279.59 179.58 o 9 16 0 3412.55 3207.10 163.06 o 10 16 0 6.83 -48.88 89.01 o 11 16 0 2302.28 2724.68 247.29 o 12 16 0 1225.85 1730.08 444.30 o 13 16 0 3.34 -110.78 130.74 o 14 16 0 3700.71 3840.54 284.56 o 15 16 0 1.48 -122.47 122.78 o 16 16 0 368.03 275.06 172.08 o 17 16 0 1103.01 1240.03 251.80 o 18 16 0 23.35 76.10 167.96 o 19 16 0 296.56 247.34 179.60 o 1 17 0 4720.47 4290.47 219.91 o 2 17 0 1886.29 1737.55 253.88 o 3 17 0 76.06 97.70 65.72 o 4 17 0 281.89 211.09 77.21 o 5 17 0 7186.44 6908.02 200.09 o 6 17 0 492.40 755.79 112.13 o 7 17 0 1126.77 1245.15 133.92 o 8 17 0 4384.34 4262.36 175.90 o 9 17 0 1579.81 2090.45 170.09 o 10 17 0 40.67 -81.23 115.95 o 11 17 0 3952.62 4036.36 243.51 o 12 17 0 2125.97 2718.12 258.87 o 13 17 0 134.13 53.63 136.37 o 14 17 0 416.23 595.22 182.53 o 15 17 0 799.48 711.39 196.28 o 16 17 0 1386.70 1448.99 237.13 o 17 17 0 24.03 250.28 170.95 o 18 17 0 460.88 419.47 295.00 o 19 17 0 597.34 589.47 205.14 o 0 18 0 13988.53 13661.96 556.67 o 1 18 0 665.15 811.75 153.88 o 2 18 0 5946.67 5569.55 163.01 o 3 18 0 4991.51 4608.62 209.33 o 4 18 0 12.55 -71.11 71.38 o 5 18 0 4845.00 4842.81 175.64 o 6 18 0 4584.53 4394.95 176.74 o 7 18 0 233.03 249.14 96.05 o 8 18 0 3444.47 3456.75 172.57 o 9 18 0 3368.34 3455.03 174.40 o 10 18 0 147.47 90.53 135.56 o 11 18 0 2791.49 2913.27 302.69 o 12 18 0 737.72 688.27 176.54 o 13 18 0 204.37 -1.45 135.21 o 14 18 0 2201.88 2757.54 284.62 o 15 18 0 83.28 200.39 160.66 o 16 18 0 393.21 520.15 188.63 o 17 18 0 1141.59 1169.20 241.80 o 18 18 0 0.47 -84.13 170.87 o 1 19 0 7308.35 6882.80 292.31 o 2 19 0 9256.74 9074.05 463.57 o 3 19 0 1911.29 2186.47 222.00 o 4 19 0 1896.71 1983.40 136.58 o 5 19 0 4232.45 4310.45 216.98 o 6 19 0 6512.81 6348.00 210.52 o 7 19 0 489.67 587.15 122.13 o 8 19 0 549.80 877.64 133.99 o 9 19 0 7570.82 7245.90 236.72 o 10 19 0 123.89 303.38 147.13 o 11 19 0 438.84 660.04 172.30 o 12 19 0 2079.39 2514.14 256.40 o 13 19 0 1639.67 1995.40 245.65 o 14 19 0 174.49 190.20 159.95 o 15 19 0 2431.88 2748.15 617.95 o 16 19 0 659.60 556.80 202.36 o 17 19 0 367.50 390.61 198.76 o 18 19 0 401.70 763.26 219.78 o 0 20 0 1.92 -5.79 167.40 o 1 20 0 14613.70 14303.35 430.28 o 2 20 0 5200.38 5250.90 265.55 o 3 20 0 0.64 -32.33 118.15 o 4 20 0 8565.89 8691.93 440.65 o 5 20 0 2268.73 2570.89 252.25 o 6 20 0 514.80 728.06 142.61 o 7 20 0 10541.60 11005.36 284.18 o 8 20 0 579.74 561.20 120.02 o 9 20 0 913.13 1468.97 278.36 o 10 20 0 9385.10 9186.00 345.00 o 11 20 0 200.17 438.26 162.61 o 12 20 0 2923.63 3425.14 786.57 o 13 20 0 4399.39 4354.16 270.24 o 14 20 0 27.04 -1.28 145.91 o 15 20 0 298.41 448.26 192.58 o 16 20 0 1162.40 1869.66 270.05 o 17 20 0 136.30 -67.12 162.96 o 1 21 0 432.18 641.70 164.48 o 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