#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217105.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_2217105_Fobs loop_ _publ_author_name 'Li, Jin-Ping' 'Tian, Lai-Jin' _publ_section_title ; [N-(5-Chloro-2-oxidobenzylidene)valinato-\k^3^O,N,O']dicyclohexyltin(IV) ; _journal_coeditor_code HJ2007 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m98 _journal_volume 64 _journal_year 2008 _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 91.759 _cell_angle_gamma 90.000 _cell_length_a 9.9830 _cell_length_b 10.7284 _cell_length_c 22.7053 _exptl_crystal_F_000 1104.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file hj2007Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 060408m in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 299.32 _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 15677.76 16144.00 543.66 o 4 0 0 8800.74 8850.29 324.60 o 6 0 0 52.64 113.61 67.60 o 8 0 0 6279.91 5950.01 381.67 o 10 0 0 245.31 270.34 103.42 o 1 1 0 13.61 19.20 6.03 o 2 1 0 21615.95 21102.13 408.00 o 3 1 0 10.64 -5.51 13.96 o 4 1 0 287.52 323.72 34.57 o 5 1 0 2304.67 2386.97 97.55 o 6 1 0 6885.12 7053.89 225.27 o 7 1 0 0.92 -3.93 27.66 o 8 1 0 23.03 33.20 34.15 o 9 1 0 124.72 96.90 52.89 o 10 1 0 1546.21 1302.09 107.55 o 11 1 0 271.19 281.77 75.55 o 0 2 0 14373.43 15317.64 421.58 o 1 2 0 3145.29 3367.28 83.62 o 2 2 0 983.43 1089.62 44.81 o 3 2 0 352.01 349.82 23.35 o 4 2 0 4360.51 4318.12 104.27 o 5 2 0 1567.49 1645.05 63.12 o 6 2 0 556.73 574.44 43.90 o 7 2 0 5456.10 5009.38 143.88 o 8 2 0 4802.49 4302.85 151.50 o 9 2 0 1682.79 1763.49 123.28 o 10 2 0 91.42 54.75 44.62 o 11 2 0 219.55 242.10 78.14 o 12 2 0 662.04 478.10 153.64 o 1 3 0 11354.82 11891.89 239.55 o 2 3 0 2277.64 2445.03 73.00 o 3 3 0 6461.74 6329.56 156.84 o 4 3 0 140.04 213.92 28.26 o 5 3 0 2316.87 2332.10 71.68 o 6 3 0 2115.16 2241.91 96.41 o 7 3 0 1425.93 1502.71 85.74 o 8 3 0 203.09 234.21 50.12 o 9 3 0 2305.80 2370.63 173.63 o 10 3 0 1622.88 1526.85 121.98 o 11 3 0 505.53 647.63 273.20 o 0 4 0 5087.80 5230.64 169.70 o 1 4 0 15220.45 15949.50 320.53 o 2 4 0 1327.95 1365.42 57.30 o 3 4 0 650.06 616.05 41.66 o 4 4 0 521.95 520.17 42.40 o 5 4 0 3506.62 3275.72 106.36 o 6 4 0 230.92 199.50 34.23 o 7 4 0 3656.89 3719.11 138.26 o 8 4 0 2607.48 2252.82 139.95 o 9 4 0 648.90 869.46 134.05 o 10 4 0 3.33 8.81 117.65 o 11 4 0 318.28 361.01 86.51 o 1 5 0 10288.92 10095.50 216.13 o 2 5 0 296.12 376.40 37.42 o 3 5 0 13393.79 13294.95 310.29 o 4 5 0 130.95 135.89 30.92 o 5 5 0 5529.47 4967.91 296.42 o 6 5 0 405.98 396.33 45.60 o 7 5 0 2317.19 2322.16 124.12 o 8 5 0 10.20 -31.72 36.02 o 9 5 0 974.26 736.56 112.38 o 10 5 0 29.05 31.50 56.68 o 11 5 0 630.61 590.73 133.26 o 0 6 0 14.26 20.78 27.57 o 1 6 0 9378.03 9254.35 259.18 o 2 6 0 429.79 509.47 34.69 o 3 6 0 2038.69 2151.42 88.15 o 4 6 0 1508.02 1441.02 76.09 o 5 6 0 3020.75 2882.75 107.99 o 6 6 0 714.08 746.48 72.74 o 7 6 0 1777.63 1793.02 124.67 o 8 6 0 198.62 142.85 53.70 o 9 6 0 1258.29 1406.53 157.40 o 10 6 0 7.10 -52.41 52.41 o 1 7 0 5959.41 6219.49 153.14 o 2 7 0 3738.49 3306.13 111.43 o 3 7 0 7631.09 7580.59 204.25 o 4 7 0 221.88 226.02 39.32 o 5 7 0 1280.55 1277.59 79.18 o 6 7 0 855.12 907.57 89.93 o 7 7 0 839.27 976.73 87.75 o 8 7 0 2.27 32.12 45.00 o 9 7 0 901.03 910.29 136.58 o 10 7 0 708.18 688.79 197.97 o 0 8 0 3284.10 3221.05 141.16 o 1 8 0 2251.43 2343.07 103.67 o 2 8 0 0.21 34.07 31.52 o 3 8 0 272.62 343.62 46.29 o 4 8 0 2587.13 2500.78 109.37 o 5 8 0 425.83 350.17 55.71 o 6 8 0 287.95 256.04 50.68 o 7 8 0 931.91 895.87 103.66 o 8 8 0 892.42 836.17 101.07 o 9 8 0 989.43 925.31 110.30 o 1 9 0 31.58 41.10 33.27 o 2 9 0 3360.96 3463.38 124.92 o 3 9 0 1787.53 1820.44 96.92 o 4 9 0 132.63 58.26 39.87 o 5 9 0 118.91 65.34 40.23 o 6 9 0 1579.58 1573.86 138.49 o 7 9 0 68.24 62.98 47.30 o 8 9 0 20.99 64.64 47.54 o 9 9 0 168.16 227.27 67.84 o 0 10 0 9075.02 8333.57 372.87 o 1 10 0 62.14 22.56 60.22 o 2 10 0 3.09 71.26 34.77 o 3 10 0 97.81 98.70 43.68 o 4 10 0 3002.64 2895.25 152.78 o 5 10 0 73.61 58.49 51.50 o 6 10 0 122.40 175.85 59.78 o 7 10 0 17.84 21.51 48.38 o 8 10 0 1074.69 1171.01 131.63 o 1 11 0 2.73 69.31 42.31 o 2 11 0 3972.51 3572.02 185.25 o 3 11 0 136.68 6.24 53.82 o 4 11 0 17.27 51.24 59.54 o 5 11 0 25.37 28.42 53.38 o 6 11 0 828.40 815.02 133.49 o 0 12 0 916.61 883.76 123.46 o 1 12 0 46.89 111.33 47.48 o 2 12 0 11.61 21.47 49.91 o 3 12 0 531.09 476.06 85.14 o 4 12 0 1289.66 1214.09 157.71 o 5 12 0 205.71 177.77 88.70 o 1 13 0 290.41 423.24 84.14 o 2 13 0 513.19 482.35 95.72 o -9 0 1 48.78 26.32 41.78 o -7 0 1 10033.14 10383.23 576.43 o -5 0 1 1907.52 2109.57 110.57 o -3 0 1 43009.63 41983.69 1389.88 o -1 0 1 161.18 209.60 15.73 o 1 0 1 89589.80 56740.20 1551.98 o 3 0 1 417.46 425.55 44.20 o 5 0 1 9836.22 9220.80 347.38 o 7 0 1 148.04 250.37 82.44 o 9 0 1 2646.83 2866.75 240.32 o -11 1 1 155.49 172.27 118.57 o -10 1 1 303.82 324.54 59.49 o -9 1 1 4162.03 3798.80 168.34 o -8 1 1 567.92 600.81 57.96 o -7 1 1 179.87 333.71 44.08 o -6 1 1 7.49 41.85 25.75 o -5 1 1 4919.58 4764.58 158.45 o -4 1 1 1168.27 1209.03 76.57 o -3 1 1 2165.11 2287.61 71.70 o -2 1 1 19439.32 19648.13 380.33 o -1 1 1 49420.72 43408.12 822.74 o 0 1 1 220.95 208.32 13.73 o 1 1 1 417.25 433.51 17.50 o 2 1 1 1076.44 1115.40 39.58 o 3 1 1 5533.63 5632.08 135.56 o 4 1 1 478.96 549.52 38.96 o 5 1 1 3774.98 4024.70 125.47 o 6 1 1 692.82 680.68 53.11 o 7 1 1 7364.47 7397.78 249.75 o 8 1 1 284.50 345.54 54.07 o 9 1 1 28.20 46.94 36.91 o 10 1 1 0.57 23.43 37.40 o 11 1 1 1249.25 895.23 174.27 o -12 2 1 106.00 255.65 128.64 o -11 2 1 1278.90 1210.34 142.29 o -10 2 1 93.60 62.41 43.74 o -9 2 1 248.41 310.76 56.00 o -8 2 1 1318.46 1427.20 141.91 o -7 2 1 2328.35 2351.30 90.60 o -6 2 1 2393.56 2278.93 80.74 o -5 2 1 126.91 140.85 24.45 o -4 2 1 2996.52 2881.54 76.15 o -3 2 1 6906.27 6966.97 149.29 o -2 2 1 1341.41 1155.05 41.41 o -1 2 1 45.02 33.99 9.41 o 0 2 1 9721.10 10274.15 203.66 o 1 2 1 10445.27 11354.05 225.13 o 2 2 1 7283.70 7198.98 150.07 o 3 2 1 756.71 790.63 33.92 o 4 2 1 3200.82 3206.17 83.45 o 5 2 1 10792.72 10666.58 229.82 o 6 2 1 669.27 707.69 49.14 o 7 2 1 154.53 156.67 33.56 o 8 2 1 1857.39 1670.07 137.18 o 9 2 1 1878.30 1920.36 131.58 o 10 2 1 1511.10 1448.38 119.58 o 11 2 1 16.37 28.92 58.57 o 12 2 1 107.15 99.18 118.82 o -11 3 1 45.87 25.05 81.87 o -10 3 1 462.21 519.41 73.97 o -9 3 1 2272.06 2221.75 140.79 o -8 3 1 790.91 939.21 88.91 o -7 3 1 70.76 33.30 28.52 o -6 3 1 4563.51 4464.18 127.32 o -5 3 1 1153.24 1171.98 49.66 o -4 3 1 2442.12 2287.35 65.52 o -3 3 1 19.06 15.67 16.60 o -2 3 1 23286.07 23084.52 495.85 o -1 3 1 16559.27 17046.27 336.65 o 0 3 1 5285.04 5448.11 118.90 o 1 3 1 2261.36 2219.06 58.20 o 2 3 1 8939.00 8872.39 205.34 o 3 3 1 4898.20 5077.50 145.33 o 4 3 1 3049.67 3059.92 81.84 o 5 3 1 991.15 947.65 46.02 o 6 3 1 8258.59 7990.42 186.21 o 7 3 1 3019.88 3072.88 119.57 o 8 3 1 2290.16 2496.08 122.83 o 9 3 1 239.03 226.27 53.18 o 10 3 1 1415.67 1337.21 146.75 o 11 3 1 569.95 509.06 101.81 o -11 4 1 52.24 72.00 103.07 o -10 4 1 481.72 600.11 155.55 o -9 4 1 0.84 -26.42 34.68 o -8 4 1 1594.44 1645.48 146.59 o -7 4 1 113.55 108.91 45.50 o -6 4 1 2771.42 2462.40 109.25 o -5 4 1 366.17 404.33 40.81 o -4 4 1 9624.48 9631.73 233.70 o -3 4 1 5987.83 6371.09 162.64 o -2 4 1 3875.20 3973.56 108.98 o -1 4 1 50.92 64.97 18.37 o 0 4 1 10632.26 10837.11 224.76 o 1 4 1 3475.01 3297.51 83.16 o 2 4 1 10072.90 9739.88 228.81 o 3 4 1 3368.64 3658.49 106.16 o 4 4 1 1707.20 1586.54 70.06 o 5 4 1 2936.05 2703.32 94.06 o 6 4 1 1379.77 1378.06 106.23 o 7 4 1 361.08 360.98 47.68 o 8 4 1 2751.79 2854.65 152.40 o 9 4 1 1057.69 935.21 233.12 o 10 4 1 616.43 595.49 100.51 o 11 4 1 1.99 -20.33 58.16 o -11 5 1 7.33 33.13 66.15 o -10 5 1 1150.75 1134.87 142.42 o -9 5 1 7.93 101.29 50.37 o -8 5 1 781.39 850.54 92.93 o -7 5 1 36.41 -26.15 26.15 o -6 5 1 6719.00 6660.56 214.56 o -5 5 1 53.67 41.12 26.93 o -4 5 1 4626.66 4318.23 229.75 o -3 5 1 644.95 744.96 71.01 o -2 5 1 14489.13 13154.36 546.80 o -1 5 1 971.18 1016.41 64.26 o 0 5 1 12087.67 12808.24 267.22 o 1 5 1 247.27 288.47 26.89 o 2 5 1 3872.32 3607.07 93.00 o 3 5 1 1038.83 1042.17 72.89 o 4 5 1 8035.44 7905.89 214.56 o 5 5 1 562.95 623.17 53.39 o 6 5 1 4399.65 4033.21 163.90 o 7 5 1 439.74 439.97 59.91 o 8 5 1 1131.26 1269.69 123.31 o 9 5 1 9.88 -17.07 51.53 o 10 5 1 364.92 545.74 111.86 o 11 5 1 1.45 21.73 65.70 o -10 6 1 449.60 602.62 112.83 o -9 6 1 132.41 137.49 68.41 o -8 6 1 1746.45 1771.23 119.78 o -7 6 1 272.46 264.02 50.54 o -6 6 1 1597.60 1547.41 127.71 o -5 6 1 0.49 11.90 24.11 o -4 6 1 7010.56 6567.23 180.04 o -3 6 1 519.41 488.79 52.87 o -2 6 1 2784.67 2751.36 81.60 o -1 6 1 86.57 122.63 28.89 o 0 6 1 4713.97 5004.16 125.49 o 1 6 1 1504.18 1732.04 75.47 o 2 6 1 7933.00 7770.20 212.51 o 3 6 1 107.71 100.32 30.79 o 4 6 1 1480.20 1509.45 78.54 o 5 6 1 1407.06 1556.50 81.36 o 6 6 1 1127.17 995.74 70.49 o 7 6 1 115.86 80.42 37.53 o 8 6 1 2318.98 2306.73 158.43 o 9 6 1 824.49 823.17 244.98 o 10 6 1 284.85 507.91 107.15 o -10 7 1 400.63 391.74 162.72 o -9 7 1 391.32 516.31 104.48 o -8 7 1 1440.47 1322.77 125.64 o -7 7 1 64.23 94.91 40.71 o -6 7 1 787.92 833.35 94.90 o -5 7 1 2369.51 2425.24 132.53 o -4 7 1 410.10 462.06 49.53 o -3 7 1 133.65 71.49 31.49 o -2 7 1 12538.08 12496.35 303.47 o -1 7 1 1350.85 1572.58 81.65 o 0 7 1 4148.81 3979.94 110.41 o 1 7 1 271.34 296.04 35.05 o 2 7 1 3588.40 3444.03 127.08 o 3 7 1 5162.53 4859.91 147.16 o 4 7 1 457.53 494.59 50.68 o 5 7 1 1.72 -2.75 44.58 o 6 7 1 3256.66 3535.91 221.02 o 7 7 1 743.12 772.14 93.23 o 8 7 1 1287.44 1401.22 140.88 o 9 7 1 0.82 -6.48 60.96 o 10 7 1 360.21 338.33 94.76 o -9 8 1 8.58 2.27 45.03 o -8 8 1 347.26 416.90 74.75 o -7 8 1 1643.17 1659.00 151.96 o -6 8 1 511.47 560.07 68.74 o -5 8 1 219.43 245.66 50.68 o -4 8 1 2054.02 1923.43 171.22 o -3 8 1 4290.75 4067.56 133.67 o -2 8 1 1980.64 2007.39 94.79 o -1 8 1 1574.80 1519.79 103.23 o 0 8 1 324.22 258.68 35.53 o 1 8 1 4307.67 4052.94 131.05 o 2 8 1 741.58 778.11 62.79 o 3 8 1 35.50 7.01 30.18 o 4 8 1 1288.34 1275.03 81.36 o 5 8 1 999.30 893.05 80.69 o 6 8 1 542.06 475.29 75.17 o 7 8 1 124.23 86.38 48.52 o 8 8 1 1181.13 982.49 111.39 o 9 8 1 1420.48 1472.70 149.39 o -9 9 1 733.85 708.00 104.13 o -8 9 1 84.80 186.35 58.20 o -7 9 1 193.34 152.78 74.14 o -6 9 1 39.40 94.80 42.01 o -5 9 1 2582.55 2979.73 155.23 o -4 9 1 101.46 150.82 44.88 o -3 9 1 11.74 65.58 33.32 o -2 9 1 1055.43 1007.08 108.74 o -1 9 1 2922.55 2786.52 113.70 o 0 9 1 225.59 274.59 52.10 o 1 9 1 315.25 224.84 53.17 o 2 9 1 0.89 -9.84 29.14 o 3 9 1 3763.34 3360.25 123.18 o 4 9 1 520.78 494.79 54.59 o 5 9 1 62.82 84.55 40.51 o 6 9 1 699.65 828.97 146.12 o 7 9 1 1452.42 1293.57 124.96 o 8 9 1 258.47 192.13 62.16 o 9 9 1 19.72 9.96 54.80 o -8 10 1 96.96 98.40 60.13 o -7 10 1 1452.66 1599.46 146.45 o -6 10 1 10.75 54.34 78.90 o -5 10 1 377.59 447.69 65.23 o -4 10 1 129.19 137.74 48.14 o -3 10 1 2520.93 2750.36 140.47 o -2 10 1 10.59 39.22 39.84 o -1 10 1 85.12 94.73 41.42 o 0 10 1 78.24 87.12 43.46 o 1 10 1 10532.42 10266.20 354.98 o 2 10 1 482.91 465.68 54.56 o 3 10 1 3.30 1.32 31.67 o 4 10 1 27.22 95.28 42.23 o 5 10 1 1734.54 1933.90 159.23 o 6 10 1 31.29 39.70 50.29 o 7 10 1 31.02 115.18 61.96 o 8 10 1 0.03 63.12 67.11 o -6 11 1 66.51 135.99 59.09 o -5 11 1 2144.16 2050.45 164.77 o -4 11 1 300.11 267.24 58.97 o -3 11 1 9.11 21.56 47.49 o -2 11 1 64.47 137.27 54.92 o -1 11 1 3623.15 3500.10 168.83 o 0 11 1 32.84 91.63 44.92 o 1 11 1 1.60 74.07 41.65 o 2 11 1 17.89 28.15 58.67 o 3 11 1 2263.72 2150.42 155.82 o 4 11 1 129.82 80.78 54.39 o 5 11 1 3.52 92.91 56.63 o 6 11 1 0.44 11.99 50.63 o -5 12 1 165.67 253.91 70.94 o -4 12 1 58.46 7.28 65.27 o -3 12 1 1369.75 1282.92 129.79 o -2 12 1 75.34 59.39 87.49 o -1 12 1 4.25 4.02 53.75 o 0 12 1 349.29 374.80 65.66 o 1 12 1 1574.44 1462.24 114.67 o 2 12 1 266.31 297.02 71.30 o 3 12 1 1.73 -17.15 90.42 o 4 12 1 213.25 281.24 91.47 o 5 12 1 698.47 831.28 109.96 o -2 13 1 163.15 128.68 66.16 o -1 13 1 451.95 393.20 77.44 o 0 13 1 59.00 142.34 73.66 o 1 13 1 1.19 27.53 53.85 o 2 13 1 1131.62 1205.53 164.16 o -12 0 2 32.35 128.64 85.55 o -10 0 2 4044.79 3740.72 297.68 o -8 0 2 34.32 12.87 43.40 o -6 0 2 16649.22 15784.27 566.67 o -4 0 2 8683.60 8936.59 325.90 o -2 0 2 4374.15 4506.59 164.27 o 0 0 2 6352.53 6623.63 184.97 o 2 0 2 6442.86 6997.48 356.45 o 4 0 2 897.94 778.46 186.49 o 6 0 2 12580.20 12193.17 468.14 o 8 0 2 178.48 160.48 56.55 o -12 1 2 972.57 752.18 149.41 o -11 1 2 0.67 11.90 111.40 o -10 1 2 171.37 216.88 65.59 o -9 1 2 338.99 337.18 51.84 o -8 1 2 2847.70 2597.24 252.70 o -7 1 2 392.95 399.44 45.40 o -6 1 2 4005.39 3678.76 121.25 o -5 1 2 1245.92 1161.14 56.71 o -4 1 2 12724.61 11987.84 300.69 o -3 1 2 174.59 179.96 19.16 o -2 1 2 7355.81 7893.72 175.25 o -1 1 2 11900.27 12744.38 273.59 o 0 1 2 38288.15 34891.94 661.85 o 1 1 2 1201.56 1193.49 31.23 o 2 1 2 292.00 346.72 19.65 o 3 1 2 62.91 41.93 16.20 o 4 1 2 15672.93 16018.85 356.11 o 5 1 2 1021.19 1040.87 59.38 o 6 1 2 14.75 -2.06 24.30 o 7 1 2 353.70 407.17 48.96 o 8 1 2 3919.73 3694.39 156.02 o 9 1 2 261.40 247.78 53.31 o 10 1 2 61.26 33.22 40.28 o 11 1 2 8.68 114.65 81.59 o -12 2 2 86.10 63.65 107.66 o -11 2 2 312.32 293.06 79.11 o -10 2 2 995.26 1043.62 116.36 o -9 2 2 11.57 9.77 32.91 o -8 2 2 493.08 446.34 62.38 o -7 2 2 2276.08 2080.18 83.70 o -6 2 2 4380.68 4292.56 122.51 o -5 2 2 2433.67 2395.21 76.89 o -4 2 2 1638.45 1590.99 54.91 o -3 2 2 3058.57 3099.95 82.07 o -2 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