#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:08:24 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/48/2204803.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_2204803_Fobs loop_ _publ_author_name 'Tian, Lai-Jin' 'Sun, Yu-Xi' 'Ng, Seik Weng' _publ_section_title ; \m-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)] ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1752 _journal_page_last m1753 _journal_volume 60 _journal_year 2004 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 104.833 _cell_angle_gamma 90.000 _cell_length_a 14.4124 _cell_length_b 12.5830 _cell_length_c 17.9361 _exptl_crystal_F_000 1308.00 _reflns_d_resolution_high 0.7698 _cod_data_source_file tk6194Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 302.75 _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' 'x+1/2, y+1/2, z' '-x+1/2, 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 -16 0 283.04 313.20 51.38 o 2 -16 0 20.45 10.91 19.70 o 1 -15 0 398.90 459.22 49.40 o 3 -15 0 41.84 34.16 23.66 o 5 -15 0 290.39 325.48 41.27 o 0 -14 0 799.07 804.95 66.08 o 2 -14 0 16.92 13.76 15.62 o 4 -14 0 565.50 599.89 46.42 o 6 -14 0 300.55 297.43 36.77 o 8 -14 0 125.60 181.03 35.10 o 1 -13 0 883.88 982.85 49.11 o 3 -13 0 234.43 273.95 24.92 o 5 -13 0 818.00 882.30 54.80 o 7 -13 0 77.17 70.62 20.46 o 9 -13 0 462.99 567.45 58.32 o 0 -12 0 1285.97 1337.66 79.32 o 2 -12 0 108.05 116.35 17.55 o 4 -12 0 1394.21 1335.79 40.35 o 6 -12 0 479.58 498.73 42.30 o 8 -12 0 241.16 280.50 40.33 o 10 -12 0 794.56 904.22 86.82 o 12 -12 0 7.66 20.53 44.61 o 1 -11 0 2101.29 2108.87 68.40 o 3 -11 0 162.52 158.88 15.85 o 5 -11 0 3160.12 3271.98 72.19 o 7 -11 0 143.85 138.07 21.42 o 9 -11 0 760.40 825.37 52.01 o 11 -11 0 310.67 334.51 57.64 o 13 -11 0 128.45 174.20 39.92 o 0 -10 0 1693.93 1800.70 61.05 o 2 -10 0 493.14 513.15 32.49 o 4 -10 0 1713.52 1746.95 44.47 o 6 -10 0 1683.31 1647.96 44.36 o 8 -10 0 977.66 1106.23 44.77 o 10 -10 0 1527.08 1614.66 71.78 o 12 -10 0 3.79 -10.40 19.74 o 14 -10 0 342.76 389.81 60.04 o 1 -9 0 4342.51 4410.35 81.54 o 3 -9 0 1049.01 1077.97 42.08 o 5 -9 0 4155.42 4145.02 82.75 o 7 -9 0 12.97 17.72 12.54 o 9 -9 0 1665.35 1620.64 67.66 o 11 -9 0 375.44 357.88 38.59 o 13 -9 0 372.70 380.89 53.78 o 0 -8 0 9574.10 9761.28 235.27 o 2 -8 0 1283.84 1396.33 45.27 o 4 -8 0 3515.95 3518.55 94.03 o 6 -8 0 2922.32 2976.54 63.14 o 8 -8 0 2784.16 2954.33 94.77 o 10 -8 0 1451.53 1555.56 65.79 o 12 -8 0 2.31 -0.51 21.12 o 14 -8 0 845.33 881.52 68.06 o 1 -7 0 10898.97 11474.58 170.54 o 3 -7 0 271.22 275.44 14.98 o 5 -7 0 5988.89 5810.95 105.61 o 7 -7 0 323.38 334.08 18.07 o 9 -7 0 1826.60 1744.92 67.08 o 11 -7 0 778.93 790.05 47.64 o 13 -7 0 411.01 487.07 42.40 o 15 -7 0 455.07 499.55 45.98 o 0 -6 0 9194.83 9292.03 177.98 o 2 -6 0 1613.01 1667.28 31.97 o 4 -6 0 12165.32 12772.34 211.95 o 6 -6 0 7447.33 7751.77 135.47 o 8 -6 0 765.58 733.41 49.27 o 10 -6 0 1315.75 1251.81 60.82 o 12 -6 0 27.34 42.17 32.99 o 14 -6 0 509.89 537.57 45.70 o 16 -6 0 21.82 88.51 34.03 o 1 -5 0 10020.20 10558.72 154.90 o 3 -5 0 4160.76 4420.98 68.99 o 5 -5 0 11097.14 11407.38 190.13 o 7 -5 0 514.68 548.48 23.38 o 9 -5 0 3718.36 3667.92 352.29 o 11 -5 0 787.95 804.92 56.75 o 13 -5 0 583.77 549.49 71.76 o 15 -5 0 527.16 497.45 43.84 o 17 -5 0 51.92 38.69 22.14 o 0 -4 0 10137.82 10672.17 199.17 o 2 -4 0 3958.00 3808.49 58.81 o 4 -4 0 8335.28 8102.88 135.96 o 6 -4 0 2271.23 2225.92 43.15 o 8 -4 0 2825.88 2869.34 95.35 o 10 -4 0 4182.00 4115.55 278.39 o 12 -4 0 223.63 212.47 32.10 o 14 -4 0 1502.20 1530.97 267.76 o 16 -4 0 192.47 206.44 33.36 o 1 -3 0 10206.89 11258.28 146.92 o 3 -3 0 12732.51 13254.35 246.80 o 5 -3 0 7498.73 7219.26 267.74 o 7 -3 0 16.30 10.43 6.66 o 9 -3 0 9820.20 9288.72 410.76 o 11 -3 0 2573.06 2530.95 106.05 o 13 -3 0 1512.84 1545.75 65.45 o 15 -3 0 884.89 907.83 52.25 o 17 -3 0 29.49 36.06 23.74 o 0 -2 0 24148.20 24845.54 388.12 o 2 -2 0 719.93 722.71 21.33 o 4 -2 0 33012.90 34963.46 546.89 o 6 -2 0 6537.47 6438.77 121.98 o 8 -2 0 1110.40 1156.35 42.53 o 10 -2 0 4135.69 3974.13 167.23 o 12 -2 0 81.72 95.72 53.42 o 14 -2 0 2320.34 2175.58 81.61 o 16 -2 0 154.91 178.09 39.03 o 1 -1 0 38335.63 39174.31 718.40 o 3 -1 0 4991.03 5186.74 84.88 o 5 -1 0 34243.67 35293.07 552.50 o 7 -1 0 1509.73 1481.35 34.87 o 9 -1 0 5236.52 5146.52 130.02 o 11 -1 0 1643.08 1539.43 47.16 o 13 -1 0 1968.42 1931.60 71.80 o 15 -1 0 937.13 989.30 53.60 o 17 -1 0 46.79 80.15 26.88 o 2 0 0 3910.29 4436.45 109.14 o 4 0 0 8075.35 8366.54 291.87 o 6 0 0 26567.63 28285.13 668.66 o 8 0 0 2949.38 2389.64 93.89 o 10 0 0 2226.03 2210.64 59.95 o 12 0 0 373.14 401.14 25.88 o 14 0 0 1419.37 1338.12 59.11 o 16 0 0 40.30 63.61 24.21 o 18 0 0 176.88 210.12 43.46 o 1 1 0 38136.79 37567.51 1205.27 o 3 1 0 4496.01 4544.85 86.78 o 5 1 0 34585.07 35680.91 558.74 o 7 1 0 1452.79 1473.12 61.06 o 9 1 0 5196.23 5010.94 181.52 o 11 1 0 1722.74 1813.31 52.10 o 13 1 0 1905.73 1804.21 55.50 o 15 1 0 906.42 887.13 49.56 o 17 1 0 50.03 61.39 33.14 o 2 2 0 668.48 684.95 20.40 o 4 2 0 34054.63 35369.12 553.12 o 6 2 0 6054.38 5896.86 127.27 o 8 2 0 1037.46 1048.43 28.08 o 10 2 0 4222.94 4181.85 81.85 o 12 2 0 86.03 82.54 14.38 o 14 2 0 2236.04 2127.22 63.58 o 16 2 0 144.64 163.43 36.58 o 1 3 0 8615.34 9059.00 201.61 o 3 3 0 13146.70 13946.76 253.86 o 5 3 0 7034.19 6558.51 125.67 o 7 3 0 13.28 13.29 7.17 o 9 3 0 9936.69 9779.60 260.15 o 11 3 0 2383.12 2386.17 84.34 o 13 3 0 1445.39 1505.36 81.24 o 15 3 0 905.48 1007.23 57.12 o 17 3 0 24.46 46.59 30.43 o 0 4 0 9813.00 9549.84 301.63 o 2 4 0 3864.30 3673.69 80.43 o 4 4 0 7920.44 7761.17 146.50 o 6 4 0 2010.51 1939.40 59.83 o 8 4 0 2903.05 2904.41 82.22 o 10 4 0 4140.17 4084.46 101.91 o 12 4 0 213.80 227.77 21.82 o 14 4 0 1549.48 1610.62 214.24 o 16 4 0 193.61 194.02 33.15 o 1 5 0 10607.21 10344.93 189.57 o 3 5 0 4096.50 4331.25 86.21 o 5 5 0 11422.47 11602.97 216.77 o 7 5 0 505.86 515.94 20.15 o 9 5 0 3753.58 3490.60 90.89 o 11 5 0 779.43 751.18 33.47 o 13 5 0 555.93 608.16 33.31 o 15 5 0 496.32 447.15 67.44 o 17 5 0 55.53 11.57 49.92 o 0 6 0 9021.67 8652.34 279.23 o 2 6 0 1575.44 1584.14 36.95 o 4 6 0 12074.23 12263.98 196.18 o 6 6 0 7489.77 7816.53 152.78 o 8 6 0 693.16 641.82 28.49 o 10 6 0 1348.09 1384.61 45.51 o 12 6 0 25.62 15.19 13.73 o 14 6 0 508.78 574.25 35.30 o 16 6 0 30.17 28.87 47.74 o 1 7 0 10997.62 11263.58 209.37 o 3 7 0 352.41 359.49 17.80 o 5 7 0 6443.28 6654.67 132.30 o 7 7 0 318.87 281.65 25.35 o 9 7 0 1768.20 1650.01 50.42 o 11 7 0 777.24 681.85 61.32 o 13 7 0 416.59 499.51 42.98 o 15 7 0 456.80 523.31 93.28 o 0 8 0 9873.13 9485.01 309.87 o 2 8 0 1245.30 1206.60 41.51 o 4 8 0 3815.80 3716.71 80.10 o 6 8 0 2864.21 2666.38 210.90 o 8 8 0 2896.96 3075.25 124.24 o 10 8 0 1504.07 1536.61 51.36 o 12 8 0 2.22 -9.31 14.44 o 14 8 0 829.17 886.17 76.47 o 1 9 0 4332.98 4142.87 87.25 o 3 9 0 1122.04 1078.96 44.60 o 5 9 0 4056.49 3866.45 108.96 o 7 9 0 12.23 6.67 17.88 o 9 9 0 1769.35 1878.99 58.49 o 11 9 0 409.75 410.55 31.06 o 13 9 0 368.25 362.74 32.41 o 15 9 0 298.20 290.59 53.89 o 0 10 0 1335.02 1178.56 47.11 o 2 10 0 529.47 483.41 29.99 o 4 10 0 1779.90 1793.83 178.02 o 6 10 0 1575.65 1497.79 110.53 o 8 10 0 974.59 1095.60 73.95 o 10 10 0 1546.66 1563.01 55.29 o 12 10 0 3.23 -14.63 17.53 o 14 10 0 354.84 418.37 60.87 o 1 11 0 2173.36 2100.74 57.33 o 3 11 0 140.71 116.89 21.66 o 5 11 0 3094.74 3038.06 110.43 o 7 11 0 154.45 131.86 26.02 o 9 11 0 705.34 686.61 37.81 o 11 11 0 308.95 270.16 53.42 o 13 11 0 131.73 131.59 31.87 o 0 12 0 1286.23 1220.82 75.36 o 2 12 0 99.31 122.98 26.32 o 4 12 0 1334.68 1265.12 82.60 o 6 12 0 484.47 492.02 39.03 o 8 12 0 219.64 271.91 34.81 o 10 12 0 800.57 732.16 72.75 o 12 12 0 7.00 -10.42 29.70 o 1 13 0 925.48 928.86 49.44 o 3 13 0 231.38 241.39 45.23 o 5 13 0 828.14 791.41 47.52 o 7 13 0 77.73 71.80 26.78 o 9 13 0 457.85 438.74 42.96 o 0 14 0 788.39 780.46 69.21 o 2 14 0 14.62 14.93 20.46 o 4 14 0 569.09 547.19 62.22 o 6 14 0 298.36 210.89 34.24 o 8 14 0 122.15 30.02 38.98 o 1 15 0 381.89 325.05 36.54 o 3 15 0 40.59 66.70 23.78 o 5 15 0 273.94 364.48 59.31 o 7 15 0 2.98 0.31 30.23 o 0 16 0 280.96 247.75 50.03 o 2 16 0 19.17 3.15 21.33 o -2 -16 1 217.33 186.30 30.15 o 0 -16 1 22.52 28.89 20.54 o 2 -16 1 128.94 170.94 29.38 o -7 -15 1 220.10 283.92 58.26 o -5 -15 1 54.81 68.06 25.69 o -3 -15 1 387.55 442.13 58.78 o -1 -15 1 376.08 431.83 39.64 o 1 -15 1 24.07 29.34 29.70 o 3 -15 1 369.20 404.36 38.38 o 5 -15 1 24.33 -10.19 25.02 o -8 -14 1 227.47 248.40 28.32 o -6 -14 1 443.39 484.00 45.65 o -4 -14 1 24.98 29.34 19.50 o -2 -14 1 753.95 798.49 45.90 o 0 -14 1 102.47 127.49 22.87 o 2 -14 1 629.53 711.25 44.23 o 4 -14 1 401.02 450.20 32.61 o 6 -14 1 70.54 100.19 22.58 o 8 -14 1 272.89 268.99 39.58 o -11 -13 1 238.47 173.12 52.74 o -9 -13 1 47.34 33.45 20.66 o -7 -13 1 787.82 825.40 41.78 o -5 -13 1 303.14 403.80 39.35 o -3 -13 1 764.39 739.23 36.46 o -1 -13 1 806.44 772.14 42.65 o 1 -13 1 50.68 44.10 16.70 o 3 -13 1 805.29 783.39 38.72 o 5 -13 1 80.80 76.68 19.42 o 7 -13 1 382.64 410.36 75.77 o 9 -13 1 186.71 218.71 72.49 o -12 -12 1 271.82 436.33 48.15 o -10 -12 1 206.34 306.96 39.13 o -8 -12 1 313.04 329.37 50.90 o -6 -12 1 1264.57 1388.43 73.01 o -4 -12 1 46.73 31.08 14.86 o -2 -12 1 761.71 783.90 34.65 o 0 -12 1 337.48 367.94 31.03 o 2 -12 1 762.40 797.50 30.87 o 4 -12 1 966.29 1007.66 48.17 o 6 -12 1 397.56 391.65 30.80 o 8 -12 1 738.33 896.85 54.87 o 10 -12 1 35.30 13.14 26.31 o -13 -11 1 67.88 89.10 31.50 o -11 -11 1 647.71 707.60 52.07 o -9 -11 1 9.29 1.94 14.70 o -7 -11 1 2260.13 2431.52 89.74 o -5 -11 1 456.63 511.07 25.16 o -3 -11 1 629.67 649.24 26.08 o -1 -11 1 4617.40 4372.37 231.44 o 1 -11 1 451.75 499.85 27.27 o 3 -11 1 1010.09 995.81 33.10 o 5 -11 1 185.26 179.83 18.07 o 7 -11 1 1465.59 1444.45 52.28 o 9 -11 1 347.67 322.08 37.52 o 11 -11 1 315.83 348.86 40.89 o -14 -10 1 7.32 -20.14 20.49 o -12 -10 1 747.47 698.27 52.98 o -10 -10 1 524.02 670.52 46.98 o -8 -10 1 510.91 544.12 33.03 o -6 -10 1 2378.69 2223.96 63.44 o -4 -10 1 36.03 27.20 9.94 o -2 -10 1 1333.70 1406.59 57.40 o 0 -10 1 27.99 43.85 9.98 o 2 -10 1 3970.71 4064.04 81.69 o 4 -10 1 1459.34 1476.40 40.73 o 6 -10 1 2739.31 2796.27 74.78 o 8 -10 1 2063.57 2004.79 77.12 o 10 -10 1 60.00 69.56 30.59 o 12 -10 1 539.88 559.31 48.70 o -15 -9 1 205.73 166.45 42.73 o -13 -9 1 71.27 57.96 25.47 o -11 -9 1 959.43 1016.64 56.33 o -9 -9 1 59.00 87.64 43.87 o -7 -9 1 3500.75 3410.19 85.04 o -5 -9 1 603.78 602.62 38.92 o -3 -9 1 6318.15 6131.91 112.10 o -1 -9 1 4977.28 4958.11 82.33 o 1 -9 1 520.52 536.73 23.21 o 3 -9 1 6077.23 6151.32 113.54 o 5 -9 1 109.29 122.77 14.27 o 7 -9 1 2903.96 2852.66 73.51 o 9 -9 1 464.56 506.32 40.13 o 11 -9 1 573.32 600.98 46.44 o 13 -9 1 631.18 708.09 52.50 o -14 -8 1 40.13 77.96 27.70 o -12 -8 1 795.46 787.72 50.60 o -10 -8 1 612.59 615.02 42.95 o -8 -8 1 1918.55 2017.24 59.10 o -6 -8 1 2667.21 2608.07 64.15 o -4 -8 1 1134.47 1145.72 36.21 o -2 -8 1 10633.56 10832.09 163.32 o 0 -8 1 1824.64 1846.55 45.39 o 2 -8 1 8581.77 8826.75 150.31 o 4 -8 1 4458.75 4668.51 89.18 o 6 -8 1 782.94 809.73 27.78 o 8 -8 1 2873.81 2979.74 95.04 o 10 -8 1 18.89 -2.28 17.52 o 12 -8 1 1078.54 1168.60 82.24 o 14 -8 1 164.77 142.70 30.78 o -15 -7 1 325.29 357.38 40.70 o -13 -7 1 344.64 363.74 57.27 o -11 -7 1 1611.38 1593.92 67.88 o -9 -7 1 177.03 182.36 26.27 o -7 -7 1 5812.57 5893.52 223.09 o -5 -7 1 14.76 4.82 7.13 o -3 -7 1 7981.77 7927.90 136.76 o -1 -7 1 4825.88 4848.09 77.80 o 1 -7 1 681.08 737.26 17.49 o 3 -7 1 5056.92 4942.61 79.39 o 5 -7 1 886.23 879.16 27.17 o 7 -7 1 1591.48 1683.45 108.11 o 9 -7 1 361.26 436.62 59.04 o 11 -7 1 501.92 569.47 50.55 o 13 -7 1 1108.57 1123.25 59.38 o 15 -7 1 41.35 34.68 23.63 o -16 -6 1 342.36 373.05 41.82 o -14 -6 1 70.35 54.40 24.68 o -12 -6 1 2285.38 2186.74 156.45 o -10 -6 1 513.39 456.99 36.58 o -8 -6 1 3236.87 3211.62 78.04 o -6 -6 1 8811.26 9087.56 155.67 o -4 -6 1 1236.19 1153.93 29.04 o -2 -6 1 13550.50 13677.57 200.17 o 0 -6 1 2087.67 2185.76 32.61 o 2 -6 1 10684.42 11586.48 154.94 o 4 -6 1 4733.88 4759.52 75.70 o 6 -6 1 938.76 967.23 32.40 o 8 -6 1 3163.58 3109.17 137.68 o 10 -6 1 3.13 6.37 15.74 o 12 -6 1 1103.00 1151.00 65.92 o 14 -6 1 64.43 56.35 22.02 o 16 -6 1 420.48 447.84 44.01 o -17 -5 1 420.12 400.63 42.78 o -15 -5 1 405.70 439.34 41.42 o -13 -5 1 333.01 374.86 47.84 o -11 -5 1 3714.20 3698.33 200.06 o -9 -5 1 313.31 341.22 43.67 o -7 -5 1 9790.36 9931.64 168.82 o -5 -5 1 3802.56 3920.42 72.40 o -3 -5 1 3916.18 3729.55 67.72 o -1 -5 1 7125.58 7267.25 107.62 o 1 -5 1 5847.53 6508.07 89.04 o 3 -5 1 15658.75 16547.55 238.19 o 5 -5 1 1298.93 1354.93 27.10 o 7 -5 1 8255.77 8582.18 170.87 o 9 -5 1 1078.18 1079.58 36.36 o 11 -5 1 647.47 652.12 64.31 o 13 -5 1 1154.46 1179.00 97.66 o 15 -5 1 39.89 35.15 22.66 o 17 -5 1 341.19 446.21 45.11 o -16 -4 1 633.96 557.86 87.50 o -14 -4 1 187.33 182.67 28.63 o -12 -4 1 3071.12 2917.01 94.49 o -10 -4 1 1758.68 1742.88 208.04 o -8 -4 1 1158.64 1148.55 34.40 o -6 -4 1 14673.93 15255.52 285.83 o -4 -4 1 720.19 771.94 21.99 o -2 -4 1 12679.51 13563.40 178.20 o 0 -4 1 91.56 87.52 4.82 o 2 -4 1 17948.26 18817.54 267.92 o 4 -4 1 1742.20 1673.04 30.24 o 6 -4 1 2422.84 2465.76 47.90 o 8 -4 1 7044.14 7303.94 333.86 o 10 -4 1 196.30 256.84 57.38 o 12 -4 1 2467.39 2434.10 285.22 o 14 -4 1 443.03 469.18 40.19 o 16 -4 1 68.26 31.98 23.03 o -17 -3 1 239.86 243.63 34.57 o -15 -3 1 899.97 800.47 51.28 o -13 -3 1 594.96 567.18 77.70 o -11 -3 1 1542.78 1346.93 56.44 o -9 -3 1 1651.19 1536.43 66.93 o -7 -3 1 10644.87 10813.96 233.59 o -5 -3 1 5398.39 5415.11 81.82 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