#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/77/2207726.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_2207726_Fobs loop_ _publ_author_name 'Tian, Lai-Jin' 'Yu, Hai-Xia' 'Sun, Yu-Xi' 'Yu, Feng-Yang' _publ_section_title ; Tricyclohexyl(4-nitrophenoxyacetato)tin(IV) ; _journal_coeditor_code BH6052 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m7 _journal_page_last m9 _journal_volume 62 _journal_year 2006 _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 101.456 _cell_angle_gamma 90.000 _cell_length_a 10.8892 _cell_length_b 11.7837 _cell_length_c 20.7685 _exptl_crystal_F_000 1168.00 _reflns_d_resolution_high 0.7965 _[local]_cod_data_source_file bh6052Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 354.87 _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 1 0 0 44744.41 43037.02 1218.62 o 2 0 0 76.07 82.39 11.06 o 3 0 0 6291.51 6558.08 139.80 o 4 0 0 16.50 6.35 7.99 o 5 0 0 1358.26 1359.71 52.01 o 6 0 0 619.81 597.53 31.82 o 7 0 0 3922.68 4222.76 145.26 o 8 0 0 2252.11 2231.34 96.46 o 9 0 0 3689.71 3647.87 107.86 o 10 0 0 2561.44 2443.91 209.00 o 11 0 0 3907.88 3867.40 154.80 o 12 0 0 2294.47 2271.64 167.51 o 13 0 0 281.03 313.42 83.10 o 1 1 0 2687.75 3035.31 50.23 o 2 1 0 31450.09 32378.42 445.14 o 3 1 0 16695.21 17522.15 247.20 o 4 1 0 28338.19 30154.84 421.31 o 5 1 0 10481.20 10634.25 160.75 o 6 1 0 3611.45 3471.27 73.45 o 7 1 0 2659.53 2464.30 53.92 o 8 1 0 571.57 568.90 27.26 o 9 1 0 152.11 184.18 24.61 o 10 1 0 316.48 298.43 27.66 o 11 1 0 1.88 -15.36 16.46 o 12 1 0 68.98 36.30 26.34 o 13 1 0 287.87 279.62 54.77 o 0 2 0 24.03 -4.93 6.50 o 1 2 0 315.98 374.66 13.41 o 2 2 0 13.87 26.48 5.17 o 3 2 0 98.49 92.96 6.79 o 4 2 0 22.49 -0.02 6.40 o 5 2 0 1.12 -1.42 5.63 o 6 2 0 1203.63 1301.33 33.65 o 7 2 0 35.70 32.66 10.13 o 8 2 0 0.11 -3.53 11.11 o 9 2 0 340.69 278.20 28.39 o 10 2 0 192.18 215.50 24.27 o 11 2 0 24.16 47.87 21.13 o 12 2 0 9.05 21.28 25.94 o 13 2 0 17.79 90.06 40.88 o 1 3 0 3379.15 3612.84 58.68 o 2 3 0 3430.25 3527.16 64.58 o 3 3 0 15593.84 16078.92 266.77 o 4 3 0 12201.11 12312.91 201.48 o 5 3 0 4899.25 4426.14 75.87 o 6 3 0 8892.66 9028.34 202.90 o 7 3 0 6325.49 5929.92 116.64 o 8 3 0 1926.53 1683.69 79.98 o 9 3 0 574.49 600.61 36.85 o 10 3 0 9.86 -3.35 26.57 o 11 3 0 58.26 36.59 20.44 o 12 3 0 309.91 438.81 80.35 o 13 3 0 422.62 447.72 66.73 o 0 4 0 44032.61 44640.50 869.36 o 1 4 0 11547.72 11718.65 170.15 o 2 4 0 9527.15 10260.61 167.61 o 3 4 0 4318.42 4473.31 83.44 o 5 4 0 1671.46 1674.45 44.93 o 6 4 0 410.12 415.01 25.59 o 7 4 0 3339.32 3333.23 77.34 o 8 4 0 4944.09 4844.43 104.54 o 9 4 0 2997.04 2829.24 84.22 o 10 4 0 2977.14 2581.95 96.47 o 11 4 0 2058.70 2038.68 116.50 o 12 4 0 1070.53 1091.12 75.62 o 1 5 0 3.28 9.07 7.11 o 2 5 0 101.45 82.69 9.11 o 3 5 0 964.92 898.52 28.99 o 4 5 0 1209.29 1199.02 35.85 o 5 5 0 2643.73 2557.74 60.87 o 6 5 0 4560.95 4605.50 130.65 o 7 5 0 622.58 665.53 34.44 o 8 5 0 165.81 164.02 23.65 o 9 5 0 27.16 44.86 19.24 o 10 5 0 21.35 -4.33 25.75 o 11 5 0 146.46 150.63 56.24 o 12 5 0 112.76 97.69 32.14 o 0 6 0 3010.10 3060.81 81.43 o 1 6 0 2948.69 2832.09 54.18 o 2 6 0 2693.39 2741.33 57.79 o 3 6 0 2587.82 2512.01 49.72 o 4 6 0 725.32 768.32 53.02 o 5 6 0 75.47 67.43 12.58 o 6 6 0 201.44 197.87 20.53 o 7 6 0 179.47 201.10 24.89 o 8 6 0 23.83 20.92 15.20 o 9 6 0 211.32 226.05 39.14 o 10 6 0 54.75 31.99 29.53 o 11 6 0 115.41 104.88 31.24 o 12 6 0 114.97 148.85 58.67 o 1 7 0 2124.98 2265.31 48.35 o 2 7 0 2720.18 2752.45 66.26 o 3 7 0 5514.56 5427.73 106.02 o 4 7 0 9022.45 8766.30 178.93 o 5 7 0 6649.04 6382.58 124.70 o 6 7 0 6620.41 6377.73 220.35 o 7 7 0 2265.68 2110.49 132.51 o 8 7 0 273.67 327.43 53.85 o 9 7 0 682.82 748.37 61.78 o 10 7 0 1.46 -4.60 46.39 o 11 7 0 45.07 64.78 47.18 o 0 8 0 9605.46 9850.14 318.45 o 1 8 0 10930.07 10990.49 171.96 o 2 8 0 2931.47 3007.25 61.81 o 3 8 0 1157.50 1217.82 40.65 o 4 8 0 93.45 104.21 19.05 o 5 8 0 159.25 149.10 19.20 o 6 8 0 368.44 386.26 33.34 o 7 8 0 501.05 508.23 48.14 o 8 8 0 2274.52 2414.75 184.46 o 9 8 0 1231.78 1129.94 75.32 o 10 8 0 1381.33 1369.91 106.74 o 11 8 0 914.71 977.99 81.10 o 1 9 0 512.45 519.72 27.53 o 2 9 0 600.33 606.59 31.91 o 3 9 0 232.51 211.66 21.14 o 4 9 0 914.91 878.56 43.61 o 5 9 0 582.34 576.11 39.61 o 6 9 0 43.60 52.32 21.93 o 7 9 0 9.63 -29.10 20.24 o 8 9 0 0.48 47.24 21.01 o 9 9 0 47.00 94.45 34.34 o 10 9 0 3.88 2.48 36.42 o 0 10 0 352.89 412.42 35.39 o 1 10 0 1052.60 1021.26 40.33 o 2 10 0 989.93 1007.03 41.13 o 3 10 0 620.33 582.88 39.70 o 4 10 0 177.34 160.44 23.55 o 5 10 0 146.99 133.74 45.59 o 6 10 0 38.67 41.76 23.24 o 7 10 0 18.96 38.31 22.68 o 8 10 0 166.77 197.78 49.15 o 9 10 0 574.94 679.43 77.37 o 1 11 0 156.91 192.67 25.04 o 2 11 0 478.69 483.37 36.93 o 3 11 0 504.90 527.37 39.06 o 4 11 0 2047.93 2023.23 101.63 o 5 11 0 1939.96 1934.02 86.81 o 6 11 0 1861.51 1830.74 86.21 o 7 11 0 2083.39 2083.07 155.61 o 8 11 0 404.86 477.15 68.10 o 0 12 0 455.12 499.52 57.28 o 1 12 0 703.45 650.85 44.17 o 2 12 0 572.61 555.69 42.00 o 3 12 0 1007.68 987.83 65.40 o 4 12 0 162.35 158.38 35.56 o 5 12 0 22.48 -8.03 21.02 o 6 12 0 49.55 39.89 40.54 o 7 12 0 403.63 417.91 65.85 o 1 13 0 20.80 -1.65 21.15 o 2 13 0 16.15 21.23 28.99 o 3 13 0 0.78 4.39 28.45 o 4 13 0 67.76 89.42 36.72 o 5 13 0 72.07 27.98 32.48 o 6 13 0 15.34 2.69 35.32 o 0 14 0 411.39 431.38 90.50 o 1 14 0 290.31 422.34 59.57 o 2 14 0 187.14 161.78 44.83 o 3 14 0 198.66 154.03 44.51 o 4 14 0 21.88 43.31 26.95 o -13 1 1 495.72 494.76 66.93 o -12 1 1 103.76 102.57 31.08 o -11 1 1 6.75 -23.04 15.36 o -10 1 1 182.35 157.18 25.05 o -9 1 1 1110.06 1088.40 42.36 o -8 1 1 3691.00 3660.71 107.00 o -7 1 1 3628.96 3628.94 70.56 o -6 1 1 847.01 683.04 24.35 o -5 1 1 9351.08 9378.98 143.34 o -4 1 1 20549.82 21485.00 303.86 o -3 1 1 2679.73 2711.66 46.18 o -2 1 1 5305.99 5618.59 82.72 o -1 1 1 190.87 187.10 6.67 o 0 1 1 1444.47 1527.48 24.11 o 1 1 1 6582.04 6923.84 107.58 o 2 1 1 2817.47 3063.19 48.87 o 3 1 1 8140.05 8438.92 124.95 o 4 1 1 2791.72 2808.14 51.17 o 5 1 1 9534.87 9900.26 151.09 o 6 1 1 7167.11 6890.79 113.38 o 7 1 1 2852.09 2815.99 65.64 o 8 1 1 1244.91 1248.92 41.23 o 9 1 1 45.53 59.29 14.36 o 10 1 1 39.63 21.22 14.17 o 11 1 1 223.98 198.12 35.77 o 12 1 1 550.25 698.30 74.63 o 13 1 1 372.10 383.23 73.91 o -13 2 1 726.09 768.29 82.46 o -12 2 1 1906.75 2137.26 171.04 o -11 2 1 3786.86 3643.56 103.38 o -10 2 1 5295.25 4930.06 109.77 o -9 2 1 4633.25 4561.44 100.65 o -8 2 1 2391.20 2288.48 61.28 o -7 2 1 777.81 766.09 37.49 o -6 2 1 338.57 408.58 23.48 o -5 2 1 3656.74 3651.53 65.10 o -4 2 1 16.76 15.22 5.43 o -3 2 1 1097.25 997.04 21.94 o -2 2 1 10187.09 10698.51 168.96 o -1 2 1 17949.98 19000.69 291.58 o 0 2 1 27521.91 27759.56 421.62 o 1 2 1 35353.85 36440.92 543.11 o 2 2 1 7585.67 7892.65 127.79 o 4 2 1 65.56 64.12 9.64 o 5 2 1 4236.54 4411.93 76.22 o 6 2 1 309.58 307.31 19.70 o 7 2 1 2186.06 2215.95 50.42 o 8 2 1 5791.30 5939.38 134.56 o 9 2 1 5055.06 4946.65 107.51 o 10 2 1 4453.21 4301.56 112.98 o 11 2 1 2916.91 2832.66 142.67 o 12 2 1 1323.79 1422.26 79.61 o 13 2 1 220.37 168.90 48.78 o -13 3 1 210.49 274.21 59.28 o -12 3 1 25.28 31.43 32.13 o -11 3 1 20.25 20.50 24.14 o -10 3 1 191.92 166.53 21.94 o -9 3 1 1245.49 1103.49 43.33 o -8 3 1 1001.91 909.20 38.31 o -7 3 1 1666.91 1618.93 48.45 o -6 3 1 1879.92 1846.37 50.74 o -5 3 1 9557.14 9870.48 150.23 o -4 3 1 3068.19 3169.41 69.04 o -3 3 1 4233.00 4279.41 78.01 o -2 3 1 3216.68 3168.00 52.00 o -1 3 1 16931.70 16945.17 262.69 o 0 3 1 12845.61 14827.01 209.17 o 1 3 1 3536.93 3179.60 52.04 o 2 3 1 3738.00 3844.37 69.66 o 4 3 1 11398.21 11827.02 175.02 o 5 3 1 4383.14 4399.63 76.08 o 6 3 1 2492.44 2368.99 58.12 o 7 3 1 1479.46 1492.39 46.52 o 8 3 1 633.23 618.33 45.74 o 9 3 1 4.87 5.06 13.67 o 10 3 1 21.09 3.99 16.85 o 11 3 1 53.42 60.18 22.63 o 12 3 1 28.30 29.81 25.59 o 13 3 1 319.81 462.37 85.85 o -12 4 1 54.98 97.59 31.01 o -11 4 1 178.14 185.75 44.34 o -10 4 1 53.44 72.20 20.65 o -9 4 1 201.80 204.50 23.63 o -8 4 1 280.52 271.25 24.68 o -7 4 1 50.02 56.21 13.71 o -6 4 1 573.70 602.30 44.74 o -5 4 1 4.17 16.01 11.06 o -4 4 1 526.23 546.25 26.61 o -3 4 1 32.78 35.58 7.53 o -2 4 1 450.54 374.01 16.57 o -1 4 1 1332.46 1190.37 26.66 o 0 4 1 5961.58 6044.64 93.38 o 1 4 1 1454.85 1419.55 29.75 o 2 4 1 9.41 2.43 3.62 o 3 4 1 96.01 87.68 10.59 o 4 4 1 79.62 107.24 21.86 o 5 4 1 1015.13 891.68 37.57 o 6 4 1 223.96 266.61 21.52 o 7 4 1 11.58 7.04 10.53 o 8 4 1 2836.93 2557.20 81.76 o 9 4 1 26.73 23.58 21.85 o 10 4 1 160.39 191.42 27.94 o 11 4 1 8.19 1.17 19.75 o 12 4 1 15.93 20.89 49.44 o -12 5 1 150.19 143.24 35.90 o -11 5 1 1.38 -5.72 40.07 o -10 5 1 175.75 129.32 41.03 o -9 5 1 224.08 184.11 25.93 o -8 5 1 1382.57 1355.74 48.03 o -7 5 1 3028.09 2954.06 73.51 o -6 5 1 8916.06 8996.38 164.23 o -5 5 1 9397.62 9309.95 163.02 o -4 5 1 5144.18 4998.84 95.69 o -3 5 1 2609.10 2594.84 48.58 o -2 5 1 223.51 268.28 13.23 o -1 5 1 21.33 17.20 5.78 o 0 5 1 3844.26 3967.96 67.59 o 1 5 1 2279.62 2214.39 43.05 o 2 5 1 5811.86 5588.33 101.10 o 3 5 1 5203.98 5243.24 86.19 o 4 5 1 6284.60 6101.76 113.09 o 5 5 1 9922.56 10155.49 177.29 o 6 5 1 5000.56 4690.76 107.88 o 7 5 1 1480.19 1405.47 56.70 o 8 5 1 621.29 571.65 39.67 o 9 5 1 20.68 2.95 19.45 o 10 5 1 172.85 130.83 25.51 o 11 5 1 122.55 93.87 29.02 o 12 5 1 387.38 359.77 63.94 o -12 6 1 889.30 836.61 73.04 o -11 6 1 1294.62 1430.08 81.66 o -10 6 1 2313.36 2303.84 97.22 o -9 6 1 1921.89 1763.53 161.55 o -8 6 1 1004.91 970.40 50.40 o -7 6 1 908.85 951.68 41.78 o -6 6 1 40.59 25.58 11.70 o -5 6 1 165.75 191.52 18.44 o -4 6 1 899.16 930.30 39.74 o -3 6 1 6195.34 6257.50 101.95 o -2 6 1 5770.02 5603.14 100.57 o -1 6 1 11227.74 11370.10 171.50 o 0 6 1 11206.10 11066.62 167.10 o 1 6 1 9859.66 9825.93 150.43 o 2 6 1 6462.26 6682.80 107.98 o 3 6 1 187.15 191.27 12.78 o 4 6 1 527.26 576.77 27.64 o 5 6 1 446.04 476.78 32.04 o 6 6 1 1445.17 1357.51 44.58 o 7 6 1 1503.79 1340.34 52.97 o 8 6 1 2409.41 2368.88 76.40 o 9 6 1 3002.40 2747.27 101.38 o 10 6 1 2188.81 2248.90 98.13 o 11 6 1 1409.20 1418.98 99.10 o 12 6 1 820.75 936.60 78.09 o -11 7 1 17.48 -0.32 53.73 o -10 7 1 44.76 86.08 29.22 o -9 7 1 344.62 250.10 37.76 o -8 7 1 104.46 101.25 29.49 o -7 7 1 54.53 37.48 20.00 o -6 7 1 155.72 198.55 32.18 o -5 7 1 1571.19 1498.25 46.44 o -4 7 1 1100.62 1074.55 37.32 o -3 7 1 1511.18 1437.67 42.50 o -2 7 1 72.09 83.09 10.43 o -1 7 1 115.75 164.02 14.96 o 0 7 1 44.47 28.85 8.85 o 1 7 1 881.38 990.85 29.07 o 2 7 1 1777.12 1793.65 41.89 o 3 7 1 2894.17 2722.09 64.38 o 4 7 1 882.86 993.19 41.21 o 5 7 1 13.47 17.23 11.12 o 6 7 1 520.11 529.87 36.78 o 7 7 1 675.48 629.74 41.70 o 8 7 1 726.48 699.29 45.41 o 9 7 1 22.24 2.81 31.46 o 10 7 1 16.62 7.30 24.96 o 11 7 1 13.91 8.44 31.92 o -11 8 1 294.81 255.61 54.21 o -10 8 1 487.08 448.41 86.56 o -9 8 1 748.43 749.20 68.84 o -8 8 1 128.24 122.53 29.65 o -7 8 1 341.77 354.60 45.33 o -6 8 1 146.01 167.92 30.83 o -5 8 1 167.57 222.87 23.53 o -4 8 1 377.36 380.17 26.04 o -3 8 1 329.99 290.32 22.87 o -2 8 1 608.77 633.45 30.77 o -1 8 1 1249.80 1302.56 41.20 o 0 8 1 93.90 69.44 12.00 o 1 8 1 442.73 456.21 22.80 o 2 8 1 2002.86 1911.90 45.61 o 3 8 1 350.77 330.89 24.59 o 4 8 1 93.52 92.74 15.37 o 5 8 1 121.79 112.09 20.44 o 6 8 1 269.92 264.30 28.95 o 7 8 1 483.34 434.92 36.27 o 8 8 1 540.06 551.70 67.91 o 9 8 1 147.04 186.37 48.71 o 10 8 1 345.79 345.22 56.44 o 11 8 1 119.47 106.73 36.47 o -10 9 1 123.53 66.26 28.55 o -9 9 1 395.78 357.70 44.43 o -8 9 1 866.78 821.47 64.82 o -7 9 1 1886.54 1819.02 83.52 o -6 9 1 3817.53 3544.43 119.26 o -5 9 1 5307.13 4664.98 119.49 o -4 9 1 3007.16 2801.01 91.84 o -3 9 1 2890.61 2871.82 71.64 o -2 9 1 344.05 342.04 25.40 o -1 9 1 217.41 242.84 19.15 o 0 9 1 10.02 -1.16 8.50 o 1 9 1 1118.03 1032.77 42.92 o 2 9 1 3645.86 3473.22 80.02 o 3 9 1 1617.48 1464.32 47.38 o 4 9 1 3177.27 3031.79 85.51 o 5 9 1 2835.41 2656.23 105.71 o 6 9 1 2927.28 2779.25 119.77 o 7 9 1 2665.14 2451.32 98.82 o 8 9 1 916.34 909.94 83.55 o 9 9 1 48.36 45.00 31.57 o 10 9 1 42.27 7.37 33.64 o -9 10 1 966.22 952.62 73.34 o -8 10 1 191.11 200.91 37.08 o -7 10 1 332.78 283.41 40.03 o -6 10 1 12.64 -0.42 23.65 o -5 10 1 74.01 57.74 23.17 o -4 10 1 420.60 445.29 36.63 o -3 10 1 1850.08 1748.47 54.90 o -2 10 1 2900.93 2768.92 130.65 o -1 10 1 3673.41 3455.39 93.08 o 0 10 1 4100.07 3799.79 86.52 o 1 10 1 2352.81 2184.48 71.17 o 2 10 1 1753.37 1704.70 53.09 o 3 10 1 364.77 365.77 35.24 o 4 10 1 355.98 337.70 32.23 o 5 10 1 4.05 -8.07 14.15 o 6 10 1 36.39 40.51 27.68 o 7 10 1 303.47 306.22 65.67 o 8 10 1 995.90 1020.65 90.65 o 9 10 1 969.44 782.91 69.07 o -9 11 1 59.08 53.68 35.59 o -8 11 1 1.11 1.10 25.97 o -7 11 1 6.64 -20.24 26.30 o -6 11 1 322.24 293.43 41.67 o -5 11 1 312.14 281.42 39.39 o -4 11 1 133.55 130.56 28.92 o -3 11 1 22.80 44.97 16.66 o -2 11 1 37.96 25.22 15.69 o -1 11 1 76.57 93.33 16.59 o 0 11 1 0.08 4.86 12.65 o 1 11 1 98.72 103.85 20.37 o 2 11 1 13.69 29.01 19.33 o 3 11 1 262.35 267.50 35.95 o 4 11 1 39.29 31.98 18.23 o 5 11 1 152.96 164.41 41.99 o 6 11 1 220.46 171.74 42.05 o 7 11 1 49.03 8.90 31.27 o 8 11 1 20.04 26.65 26.81 o -7 12 1 63.40 71.00 30.80 o -6 12 1 0.01 -28.96 20.49 o -5 12 1 1.05 -15.42 18.80 o -4 12 1 57.09 71.02 28.93 o -3 12 1 232.45 197.18 36.80 o -2 12 1 636.68 589.01 50.96 o -1 12 1 1740.51 1779.47 67.05 o 0 12 1 1225.96 1274.86 55.43 o 1 12 1 207.28 279.44 36.55 o 2 12 1 183.28 228.31 28.41 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