#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218186.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_2218186_Fobs loop_ _publ_author_name 'Teo, Yin Yin' 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; Dicyclohexylammonium bis(chlorodifluoroacetato-\kO)cyclopentyldiphenylstannate(IV) ; _journal_coeditor_code LH2611 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m700 _journal_volume 64 _journal_year 2008 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 109.385 _cell_angle_gamma 90.000 _cell_length_a 8.8610 _cell_length_b 19.3132 _cell_length_c 10.6823 _exptl_crystal_F_000 800.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file lh2611Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21' _shelx_refln_list_code 4 _shelx_F_calc_maximum 188.77 _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' 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 0 -24 0 348.11 432.62 70.39 o 1 -24 0 95.77 101.92 43.86 o 2 -24 0 101.61 115.56 34.76 o 3 -24 0 75.24 67.25 25.11 o 1 -23 0 196.77 221.95 38.76 o 2 -23 0 334.24 360.91 35.17 o 3 -23 0 227.65 189.06 30.06 o 4 -23 0 248.33 217.93 32.22 o 0 -22 0 626.17 581.26 71.94 o 1 -22 0 310.01 401.32 45.03 o 2 -22 0 91.24 112.06 24.52 o 3 -22 0 6.33 -10.68 21.29 o 4 -22 0 97.93 106.96 26.15 o 5 -22 0 419.70 429.31 64.57 o 1 -21 0 226.02 306.20 29.32 o 2 -21 0 146.17 199.55 49.67 o 3 -21 0 411.96 455.55 53.11 o 4 -21 0 269.05 258.71 31.55 o 5 -21 0 23.45 21.22 20.84 o 0 -20 0 1562.42 1597.98 103.39 o 1 -20 0 586.00 628.52 37.57 o 2 -20 0 27.46 28.75 17.77 o 3 -20 0 15.18 17.16 18.14 o 4 -20 0 123.74 109.83 25.14 o 5 -20 0 272.85 326.01 34.74 o 6 -20 0 101.83 91.34 25.69 o 1 -19 0 486.36 567.17 35.15 o 2 -19 0 443.53 536.22 57.25 o 3 -19 0 714.83 673.69 44.44 o 4 -19 0 218.67 189.24 27.33 o 5 -19 0 108.60 89.69 23.02 o 6 -19 0 11.26 -5.97 18.43 o 7 -19 0 155.09 128.29 32.95 o 0 -18 0 1510.52 1590.91 61.87 o 1 -18 0 1423.68 1429.18 60.14 o 2 -18 0 265.22 366.26 29.81 o 3 -18 0 109.18 70.50 20.16 o 4 -18 0 93.33 138.72 23.79 o 5 -18 0 624.17 594.47 46.25 o 6 -18 0 631.57 658.50 45.92 o 7 -18 0 303.56 363.48 37.36 o 1 -17 0 138.42 209.01 31.90 o 2 -17 0 711.70 806.68 45.40 o 3 -17 0 1515.92 1313.43 49.54 o 4 -17 0 1372.45 1253.16 49.71 o 5 -17 0 179.92 146.45 30.52 o 6 -17 0 128.19 131.04 26.08 o 7 -17 0 143.83 179.01 28.63 o 0 -16 0 516.44 485.79 80.38 o 1 -16 0 187.19 328.52 42.25 o 2 -16 0 79.57 75.71 17.47 o 3 -16 0 124.93 121.16 20.73 o 4 -16 0 761.49 678.67 45.07 o 5 -16 0 543.73 524.71 35.65 o 6 -16 0 595.62 503.94 36.51 o 7 -16 0 248.56 197.48 28.21 o 8 -16 0 62.97 55.06 29.95 o 1 -15 0 109.92 190.41 22.21 o 2 -15 0 2404.84 2334.73 62.94 o 3 -15 0 1067.08 1091.40 42.11 o 4 -15 0 833.28 856.76 40.70 o 5 -15 0 593.32 562.87 55.41 o 6 -15 0 31.71 12.76 23.56 o 7 -15 0 155.53 136.09 34.45 o 8 -15 0 258.82 254.53 39.57 o 0 -14 0 2339.01 2657.15 76.00 o 1 -14 0 2457.69 2401.69 50.30 o 2 -14 0 916.17 842.54 22.44 o 3 -14 0 216.43 242.98 22.93 o 4 -14 0 439.88 511.00 39.16 o 5 -14 0 512.19 486.48 48.73 o 6 -14 0 881.73 925.02 44.42 o 7 -14 0 443.00 485.94 52.33 o 8 -14 0 9.60 11.15 23.84 o 9 -14 0 17.07 2.52 27.17 o 1 -13 0 701.76 973.37 28.39 o 2 -13 0 1582.88 1860.09 77.99 o 3 -13 0 2393.53 2349.27 62.03 o 4 -13 0 1836.20 1936.23 61.76 o 5 -13 0 45.09 59.83 16.75 o 6 -13 0 2.92 -13.73 14.74 o 7 -13 0 434.61 454.54 34.69 o 8 -13 0 338.12 347.24 40.97 o 9 -13 0 483.81 405.29 49.91 o 0 -12 0 2509.39 2909.81 95.76 o 1 -12 0 2723.54 3486.33 53.63 o 2 -12 0 692.30 666.14 18.71 o 3 -12 0 15.80 -1.95 7.53 o 4 -12 0 211.51 205.79 21.06 o 5 -12 0 1092.44 1037.20 41.42 o 6 -12 0 651.24 517.14 67.79 o 7 -12 0 797.96 753.58 57.80 o 8 -12 0 44.24 36.86 50.10 o 9 -12 0 50.40 2.87 24.65 o 1 -11 0 2553.67 2900.18 46.61 o 2 -11 0 4788.45 4941.20 68.71 o 3 -11 0 1945.70 1961.05 39.99 o 4 -11 0 781.26 808.37 33.62 o 5 -11 0 1080.33 1049.51 40.56 o 6 -11 0 145.65 139.86 21.65 o 7 -11 0 1145.53 1102.21 68.99 o 8 -11 0 962.46 853.91 54.13 o 9 -11 0 426.62 366.63 47.64 o 0 -10 0 4086.06 4889.40 110.14 o 1 -10 0 2217.55 2054.14 34.38 o 2 -10 0 570.49 564.03 29.92 o 3 -10 0 549.08 613.09 28.38 o 4 -10 0 579.86 575.35 27.67 o 5 -10 0 1507.16 1475.40 47.26 o 6 -10 0 2487.00 2439.30 66.91 o 7 -10 0 1251.54 1340.37 101.91 o 8 -10 0 143.10 181.69 31.97 o 9 -10 0 44.29 65.85 28.46 o 1 -9 0 658.11 966.16 27.63 o 2 -9 0 1930.84 2116.64 33.67 o 3 -9 0 2354.45 2303.16 42.67 o 4 -9 0 1707.18 1640.52 34.92 o 5 -9 0 1303.99 1376.77 44.26 o 6 -9 0 2.88 -9.38 16.11 o 7 -9 0 35.81 6.06 22.36 o 8 -9 0 1059.84 1069.01 56.90 o 9 -9 0 556.52 496.54 45.50 o 10 -9 0 158.92 159.10 36.08 o 0 -8 0 8497.26 8786.42 139.61 o 1 -8 0 6227.93 6542.45 92.30 o 2 -8 0 2956.38 2842.88 41.21 o 3 -8 0 63.01 74.41 9.79 o 4 -8 0 285.74 272.24 14.01 o 5 -8 0 2121.30 2109.28 43.15 o 6 -8 0 1229.42 1212.46 52.28 o 7 -8 0 210.50 197.23 28.17 o 8 -8 0 299.22 270.65 34.53 o 9 -8 0 52.12 51.52 26.64 o 10 -8 0 201.54 175.41 35.07 o 1 -7 0 2735.99 3071.77 65.97 o 2 -7 0 8989.98 9491.84 116.16 o 3 -7 0 5203.18 5398.01 81.18 o 4 -7 0 2143.29 1934.05 38.18 o 5 -7 0 1100.06 1131.14 29.27 o 6 -7 0 135.91 109.65 16.23 o 7 -7 0 1173.24 996.17 70.92 o 8 -7 0 993.13 837.00 68.46 o 9 -7 0 682.43 753.71 72.20 o 10 -7 0 474.20 625.01 71.56 o 0 -6 0 1152.43 1258.13 27.20 o 1 -6 0 10551.94 10452.57 125.38 o 2 -6 0 8738.05 9481.00 115.31 o 3 -6 0 1820.90 1948.79 38.50 o 4 -6 0 2318.00 2233.06 41.74 o 5 -6 0 1543.11 1552.75 46.07 o 6 -6 0 1410.04 1509.31 97.96 o 7 -6 0 1272.23 969.90 66.79 o 8 -6 0 30.49 30.77 31.48 o 9 -6 0 51.86 39.47 31.71 o 10 -6 0 446.93 497.59 63.69 o 1 -5 0 5237.88 4830.84 60.77 o 2 -5 0 5067.40 5745.33 81.71 o 3 -5 0 9450.53 9403.26 130.02 o 4 -5 0 4017.36 3686.42 68.83 o 5 -5 0 521.19 520.86 25.61 o 6 -5 0 159.31 140.32 17.90 o 7 -5 0 447.52 446.36 29.13 o 8 -5 0 421.63 364.16 48.36 o 9 -5 0 1375.71 1261.40 85.30 o 10 -5 0 450.57 560.98 64.90 o 0 -4 0 7629.00 7782.68 119.08 o 1 -4 0 25755.61 28398.87 326.48 o 2 -4 0 35.00 16.71 5.93 o 3 -4 0 831.70 925.44 23.97 o 4 -4 0 2404.06 2443.34 58.76 o 5 -4 0 4048.24 3900.86 88.58 o 6 -4 0 2944.07 2942.26 116.44 o 7 -4 0 1688.38 1699.36 55.95 o 8 -4 0 149.75 164.20 36.86 o 9 -4 0 7.04 34.51 30.16 o 10 -4 0 150.66 185.20 49.50 o 1 -3 0 2524.91 2244.80 27.00 o 2 -3 0 3220.71 2825.14 49.14 o 3 -3 0 5443.61 4711.34 102.94 o 4 -3 0 4817.50 4591.73 146.98 o 5 -3 0 1637.88 1708.10 76.18 o 6 -3 0 108.03 104.41 25.58 o 7 -3 0 610.40 611.91 52.75 o 8 -3 0 771.48 805.10 62.06 o 9 -3 0 1113.98 1080.60 55.80 o 10 -3 0 461.96 517.95 66.72 o 0 -2 0 22.60 265.07 46.96 o 1 -2 0 5944.78 7519.98 199.38 o 2 -2 0 8215.74 8122.09 159.01 o 3 -2 0 591.94 494.22 30.58 o 4 -2 0 690.91 694.49 40.45 o 5 -2 0 1959.95 1903.18 78.79 o 6 -2 0 2127.13 1992.22 86.51 o 7 -2 0 690.31 574.94 47.95 o 8 -2 0 881.08 890.81 63.35 o 9 -2 0 131.86 104.64 26.51 o 10 -2 0 366.10 343.99 58.96 o 1 -1 0 2420.75 3002.51 82.70 o 2 -1 0 3983.80 3940.28 114.74 o 3 -1 0 6410.70 6318.87 180.81 o 4 -1 0 3978.79 3845.63 122.76 o 5 -1 0 1211.95 1006.57 52.18 o 6 -1 0 512.05 476.48 39.73 o 7 -1 0 278.71 322.83 36.82 o 8 -1 0 2104.68 2099.18 83.33 o 9 -1 0 1003.22 1053.95 78.49 o 10 -1 0 562.00 505.84 67.09 o 3 0 0 1701.56 1486.57 54.49 o 4 0 0 271.96 166.39 19.38 o 5 0 0 1949.65 1520.93 64.79 o 6 0 0 3087.67 2815.67 76.57 o 7 0 0 862.06 761.26 38.49 o 8 0 0 203.59 214.24 27.22 o 9 0 0 113.63 115.27 40.19 o 10 0 0 207.36 206.85 53.47 o 2 1 0 3497.57 3365.30 100.47 o 3 1 0 6231.21 6114.27 122.88 o 4 1 0 3874.44 3768.25 84.86 o 5 1 0 1160.50 1057.32 37.98 o 6 1 0 521.22 535.36 66.49 o 7 1 0 275.77 325.45 27.26 o 8 1 0 2154.57 2134.85 109.25 o 9 1 0 1041.98 1075.18 83.14 o 10 1 0 575.85 496.42 65.96 o 0 2 0 58.19 313.64 13.28 o 1 2 0 5891.71 7023.19 187.96 o 2 2 0 8165.66 8218.60 224.52 o 3 2 0 593.11 542.83 20.84 o 4 2 0 772.06 740.52 27.44 o 5 2 0 2096.67 2066.02 57.04 o 6 2 0 2233.21 2101.45 61.54 o 7 2 0 646.04 632.71 34.62 o 8 2 0 922.80 746.37 67.40 o 9 2 0 133.36 120.07 41.97 o 10 2 0 377.72 357.12 59.83 o 1 3 0 2776.30 2616.48 62.04 o 2 3 0 3039.94 2590.70 84.24 o 3 3 0 5374.96 4810.05 147.02 o 4 3 0 5070.42 4911.74 104.55 o 5 3 0 1643.18 1618.23 62.31 o 6 3 0 114.05 65.81 40.62 o 7 3 0 584.28 670.24 88.85 o 8 3 0 790.10 657.66 65.24 o 9 3 0 1128.78 1293.65 92.56 o 10 3 0 471.90 463.27 66.22 o 0 4 0 7784.92 7779.21 149.07 o 1 4 0 25302.53 27231.28 1034.29 o 2 4 0 16.62 -0.98 8.74 o 3 4 0 842.46 952.84 48.82 o 4 4 0 2546.23 2627.00 62.20 o 5 4 0 3989.42 3969.44 91.11 o 6 4 0 2796.26 2959.37 89.78 o 7 4 0 1643.33 1897.39 97.29 o 8 4 0 154.91 169.72 44.96 o 9 4 0 5.51 -33.49 29.86 o 10 4 0 136.97 136.20 49.27 o 1 5 0 4951.33 4684.28 77.38 o 2 5 0 4793.77 5274.94 157.05 o 3 5 0 9061.07 9091.04 210.73 o 4 5 0 4093.01 3844.40 84.03 o 5 5 0 511.92 509.64 53.85 o 6 5 0 157.92 155.65 33.07 o 7 5 0 439.05 350.54 46.77 o 8 5 0 384.35 292.30 50.44 o 9 5 0 1379.41 1275.14 91.24 o 10 5 0 423.75 424.93 66.53 o 0 6 0 1385.38 1435.52 51.66 o 1 6 0 10836.73 10527.41 285.41 o 2 6 0 8548.95 9667.38 187.02 o 3 6 0 1868.10 2071.99 82.46 o 4 6 0 2296.90 2211.02 40.52 o 5 6 0 1624.63 1683.08 35.65 o 6 6 0 1349.75 1309.69 75.53 o 7 6 0 1135.68 1187.61 79.28 o 8 6 0 29.38 -2.46 27.81 o 9 6 0 56.02 -4.96 36.03 o 10 6 0 474.26 597.27 79.13 o 1 7 0 2788.30 3219.90 58.77 o 2 7 0 9073.91 9801.65 247.40 o 3 7 0 5431.67 5490.68 173.13 o 4 7 0 2135.40 1931.03 85.68 o 5 7 0 1159.84 1265.72 73.30 o 6 7 0 129.06 162.42 35.23 o 7 7 0 1173.77 1073.10 76.90 o 8 7 0 1008.83 1111.13 82.99 o 9 7 0 701.20 763.09 77.09 o 10 7 0 474.85 481.17 73.04 o 0 8 0 8540.94 8827.52 250.90 o 1 8 0 6007.61 6354.84 133.75 o 2 8 0 2929.95 3015.51 74.98 o 3 8 0 60.42 95.86 22.21 o 4 8 0 282.13 327.53 37.31 o 5 8 0 2041.22 2142.68 99.26 o 6 8 0 1285.55 1445.89 83.90 o 7 8 0 239.94 178.16 42.88 o 8 8 0 269.33 243.52 51.01 o 9 8 0 56.72 24.33 41.13 o 10 8 0 203.16 284.95 62.55 o 1 9 0 662.94 802.91 32.54 o 2 9 0 1762.40 1810.72 53.98 o 3 9 0 2418.03 2470.70 100.21 o 4 9 0 1595.99 1746.58 84.62 o 5 9 0 1410.82 1529.86 82.91 o 6 9 0 2.08 -29.86 19.91 o 7 9 0 60.65 129.57 41.48 o 8 9 0 1097.01 1163.88 88.14 o 9 9 0 540.05 560.52 71.90 o 10 9 0 166.06 167.95 58.73 o 0 10 0 4088.59 4658.53 151.48 o 1 10 0 2042.47 1924.05 56.80 o 2 10 0 547.89 523.04 83.03 o 3 10 0 564.53 641.39 49.16 o 4 10 0 581.36 679.20 54.04 o 5 10 0 1500.54 1638.81 88.10 o 6 10 0 2411.00 2428.13 115.95 o 7 10 0 1239.94 1332.13 88.55 o 8 10 0 146.10 187.13 50.44 o 9 10 0 48.62 68.68 45.79 o 1 11 0 2516.73 2786.66 111.16 o 2 11 0 4656.68 4650.61 200.91 o 3 11 0 1926.21 1986.62 91.62 o 4 11 0 700.52 677.72 55.17 o 5 11 0 1002.74 920.22 68.42 o 6 11 0 151.91 165.18 40.45 o 7 11 0 1078.22 1049.94 83.86 o 8 11 0 929.32 930.47 84.99 o 9 11 0 449.45 502.21 74.93 o 0 12 0 2447.78 2724.74 107.25 o 1 12 0 2790.92 3424.56 175.72 o 2 12 0 732.16 745.74 36.80 o 3 12 0 14.58 -15.07 33.19 o 4 12 0 199.45 170.67 35.72 o 5 12 0 1137.28 1004.19 72.51 o 6 12 0 654.31 618.99 65.73 o 7 12 0 774.82 823.53 77.69 o 8 12 0 41.14 92.30 43.03 o 9 12 0 51.12 106.94 50.10 o 1 13 0 713.41 1027.53 44.71 o 2 13 0 1612.40 1703.71 91.90 o 3 13 0 2325.59 2409.29 119.24 o 4 13 0 1890.75 1988.66 100.77 o 5 13 0 42.95 25.05 29.74 o 6 13 0 2.77 -13.17 30.12 o 7 13 0 479.34 483.63 64.75 o 8 13 0 351.06 489.53 68.95 o 9 13 0 490.38 649.60 82.42 o 0 14 0 2338.11 2748.43 114.44 o 1 14 0 2494.30 2486.60 83.33 o 2 14 0 903.25 829.47 42.42 o 3 14 0 209.68 244.32 39.89 o 4 14 0 503.64 543.91 56.65 o 5 14 0 488.63 578.42 63.20 o 6 14 0 886.45 1011.80 81.29 o 7 14 0 457.90 466.07 65.51 o 8 14 0 5.06 31.86 39.32 o 9 14 0 15.57 21.91 44.43 o 1 15 0 76.83 145.68 22.85 o 2 15 0 2360.89 2347.68 76.39 o 3 15 0 997.37 1087.82 51.10 o 4 15 0 805.68 743.49 66.91 o 5 15 0 525.61 441.17 59.60 o 6 15 0 30.38 91.81 37.43 o 7 15 0 155.43 215.25 53.70 o 8 15 0 252.03 251.99 61.72 o 0 16 0 402.26 394.02 46.55 o 1 16 0 194.22 319.87 30.65 o 2 16 0 75.28 102.22 22.25 o 3 16 0 126.08 119.81 24.26 o 4 16 0 735.49 630.27 64.14 o 5 16 0 544.21 473.41 61.42 o 6 16 0 610.40 627.50 71.86 o 7 16 0 241.32 261.30 59.79 o 8 16 0 55.60 63.76 46.55 o 1 17 0 117.46 206.29 30.01 o 2 17 0 791.84 967.89 51.03 o 3 17 0 1524.87 1381.76 73.66 o 4 17 0 1339.55 1243.20 88.32 o 5 17 0 196.17 277.31 53.21 o 6 17 0 125.41 8.10 38.22 o 7 17 0 155.02 163.48 54.08 o 0 18 0 1492.88 1699.54 96.23 o 1 18 0 1425.93 1404.17 61.80 o 2 18 0 290.71 305.35 34.09 o 3 18 0 112.53 87.14 24.82 o 4 18 0 78.64 104.37 41.82 o 5 18 0 599.35 650.10 72.85 o 6 18 0 632.99 746.71 80.79 o 7 18 0 294.94 329.53 68.04 o 1 19 0 503.23 619.83 45.26 o 2 19 0 461.76 568.86 62.53 o 3 19 0 669.02 648.43 47.17 o 4 19 0 199.99 161.74 46.51 o 5 19 0 118.37 162.04 48.55 o 6 19 0 12.51 45.30 42.46 o 7 19 0 155.89 158.07 57.26 o 0 20 0 1644.77 1585.26 98.73 o 1 20 0 577.82 711.25 91.60 o 2 20 0 25.25 50.21 23.92 o 3 20 0 14.20 37.05 24.77 o 4 20 0 131.75 163.44 47.11 o 5 20 0 267.59 405.52 67.62 o 6 20 0 107.32 76.93 48.78 o 1 21 0 219.99 260.56 59.94 o 2 21 0 130.67 140.97 30.09 o 3 21 0 438.14 363.04 41.33 o 4 21 0 268.62 321.47 63.61 o 5 21 0 20.87 24.07 43.37 o 0 22 0 582.67 668.79 72.66 o 1 22 0 333.74 444.29 43.68 o 2 22 0 97.14 106.57 61.27 o 3 22 0 5.97 18.00 47.97 o 4 22 0 95.50 110.12 49.73 o 5 22 0 421.36 350.12 69.33 o 1 23 0 195.52 214.42 36.49 o 2 23 0 304.03 298.13 41.61 o 3 23 0 199.68 221.96 39.00 o 4 23 0 269.77 229.36 63.16 o 0 24 0 370.71 490.29 70.08 o 1 24 0 109.42 147.95 89.80 o 2 24 0 91.80 81.15 51.86 o 3 24 0 75.45 51.41 29.90 o 0 -25 1 337.94 328.58 48.23 o -3 -24 1 255.16 238.89 33.20 o -2 -24 1 213.14 172.92 60.15 o -1 -24 1 205.99 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