#------------------------------------------------------------------------------ #$Date: 2018-02-14 10:10:25 +0200 (Wed, 14 Feb 2018) $ #$Revision: 206429 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242378.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_2242378 _cell_angle_alpha 101.247 _cell_angle_beta 98.392 _cell_angle_gamma 104.990 _cell_length_a 8.5553 _cell_length_b 11.4379 _cell_length_c 17.3332 _exptl_crystal_F_000 704.00 _reflns_d_resolution_high 0.7708 _cod_data_source_file ex2004Isup2.hkl _cod_data_source_block I _shelx_title ' GV001_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 424.64 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -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 1 0 0 20.60 27.62 1.11 o 2 0 0 8235.14 8736.76 215.02 o 3 0 0 1632.83 1681.88 41.96 o 4 0 0 648.29 655.96 17.26 o 5 0 0 2699.86 2683.56 67.39 o 6 0 0 83.81 94.73 6.74 o 7 0 0 2535.33 2391.49 91.67 o 8 0 0 77.13 88.51 11.09 o 9 0 0 174.46 138.28 13.87 o 10 0 0 151.05 127.37 15.64 o -10 1 0 185.36 164.92 16.64 o -9 1 0 0.41 -11.09 11.09 o -8 1 0 186.98 173.11 27.50 o -7 1 0 101.55 110.47 7.92 o -6 1 0 3054.92 3175.12 93.41 o -5 1 0 2996.84 3293.34 96.85 o -4 1 0 1025.71 1001.73 30.40 o -3 1 0 11239.44 12098.15 350.14 o -2 1 0 33.85 36.73 2.13 o -1 1 0 98.73 116.53 3.61 o 0 1 0 109.35 103.33 5.00 o 1 1 0 7160.27 7686.12 210.31 o 2 1 0 15429.50 15975.74 391.31 o 3 1 0 1406.12 1535.70 46.48 o 4 1 0 4370.03 4425.28 109.35 o 5 1 0 314.81 346.59 10.70 o 6 1 0 2146.99 2135.23 60.28 o 7 1 0 55.91 46.89 11.67 o 8 1 0 370.50 314.11 18.42 o 9 1 0 20.83 19.84 11.36 o 10 1 0 4.32 3.85 14.13 o -10 2 0 19.37 17.29 12.86 o -9 2 0 679.72 649.60 47.50 o -8 2 0 95.35 85.07 8.92 o -7 2 0 1602.91 1616.42 49.29 o -6 2 0 17.29 10.74 4.75 o -5 2 0 1224.36 1294.65 39.23 o -4 2 0 7191.02 7830.53 227.53 o -3 2 0 11.47 16.74 2.43 o -2 2 0 15213.37 16255.29 467.57 o -1 2 0 37.49 38.26 1.68 o 0 2 0 236.61 265.87 10.33 o 1 2 0 3346.86 3399.03 93.74 o 2 2 0 1966.64 2217.45 79.02 o 3 2 0 1961.76 1872.64 52.06 o 4 2 0 348.55 316.41 9.86 o 5 2 0 2934.05 2930.63 81.92 o 6 2 0 321.19 332.86 13.48 o 7 2 0 452.82 448.04 21.21 o 8 2 0 1.55 9.91 22.50 o 9 2 0 88.21 96.46 14.13 o -10 3 0 968.72 1044.54 70.00 o -9 3 0 3.87 0.67 15.83 o -8 3 0 1601.59 1593.96 49.54 o -7 3 0 15.30 12.40 5.89 o -6 3 0 857.18 868.72 27.71 o -5 3 0 2308.30 2271.19 66.70 o -4 3 0 11.48 7.56 5.68 o -3 3 0 6641.38 6942.06 200.56 o -2 3 0 38.73 40.31 1.96 o -1 3 0 3716.48 3938.96 97.21 o 0 3 0 306.32 266.73 9.97 o 1 3 0 1650.21 1743.52 48.92 o 2 3 0 2245.93 2127.06 59.43 o 3 3 0 3322.80 3708.62 102.93 o 4 3 0 738.28 667.17 20.89 o 5 3 0 99.54 103.71 6.77 o 6 3 0 100.32 97.43 7.92 o 7 3 0 75.55 68.09 11.09 o 8 3 0 3.52 -1.00 11.09 o 9 3 0 23.66 18.75 12.86 o -10 4 0 0.44 1.52 12.62 o -9 4 0 565.56 588.58 22.73 o -8 4 0 1564.21 1604.05 49.79 o -7 4 0 331.01 365.82 15.12 o -6 4 0 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263.84 45.83 o -7 10 0 293.67 278.17 33.33 o -6 10 0 29.91 31.85 13.33 o -5 10 0 352.33 340.70 28.33 o -4 10 0 174.99 154.87 13.21 o -3 10 0 221.41 243.74 16.20 o -2 10 0 124.53 123.46 9.16 o -1 10 0 0.77 -8.33 8.94 o 0 10 0 3.08 -1.32 10.08 o 1 10 0 183.30 183.33 15.39 o 2 10 0 441.73 480.17 25.21 o 3 10 0 228.22 238.53 18.17 o 4 10 0 6.76 5.77 14.17 o 5 10 0 4.82 -1.95 15.64 o -9 11 0 180.24 175.20 18.75 o -8 11 0 203.80 204.20 18.75 o -7 11 0 0.30 8.10 13.33 o -6 11 0 428.28 414.23 28.33 o -5 11 0 41.30 34.46 24.17 o -4 11 0 533.31 497.92 33.33 o -3 11 0 252.57 284.78 15.02 o -2 11 0 4.25 -2.92 10.27 o -1 11 0 230.86 243.24 27.50 o 0 11 0 73.09 72.39 12.86 o 1 11 0 32.48 25.30 13.33 o 2 11 0 171.85 179.05 35.00 o 3 11 0 13.37 -13.26 13.26 o 4 11 0 0.75 14.43 15.64 o -8 12 0 68.99 109.27 34.17 o -7 12 0 439.06 415.88 27.03 o -6 12 0 50.87 49.93 14.00 o -5 12 0 502.03 483.42 27.53 o -4 12 0 111.95 105.00 16.67 o -3 12 0 253.13 263.91 18.17 o -2 12 0 136.97 167.88 15.64 o -1 12 0 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