#------------------------------------------------------------------------------ #$Date: 2020-08-23 07:26:50 +0300 (Sun, 23 Aug 2020) $ #$Revision: 255589 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243550.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_2243550 _cell_angle_alpha 106.143 _cell_angle_beta 93.254 _cell_angle_gamma 99.819 _cell_length_a 12.9974 _cell_length_b 13.9305 _cell_length_c 14.7162 _exptl_crystal_F_000 1239.00 _reflns_d_resolution_high 0.7676 _cod_data_source_file hb7934Isup2.hkl _cod_data_source_block I _shelx_title ' doddsb in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 279.82 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 3 0 0 7598.20 10417.13 186.68 o 4 0 0 3507.31 2856.55 64.77 o 5 0 0 534.97 473.67 19.96 o 6 0 0 3232.88 4277.26 259.62 o 7 0 0 16.97 38.30 9.40 o 8 0 0 1806.50 1646.08 34.88 o 9 0 0 53.51 37.67 5.48 o 10 0 0 6.72 18.89 5.88 o 11 0 0 7030.84 7093.04 192.32 o 12 0 0 4559.97 4593.68 116.50 o 13 0 0 744.27 714.06 27.42 o 14 0 0 228.00 234.42 20.73 o 15 0 0 1821.58 1898.23 93.62 o 16 0 0 831.57 984.01 81.38 o -16 1 0 1843.24 2113.00 106.45 o -15 1 0 537.41 541.17 51.58 o -14 1 0 12.69 -5.56 32.56 o -13 1 0 620.20 538.91 29.92 o -12 1 0 1831.44 1760.39 94.18 o -11 1 0 1338.04 1394.85 64.85 o -10 1 0 18.22 24.06 4.70 o -9 1 0 70.55 53.27 5.39 o -8 1 0 2013.42 1995.40 111.18 o -7 1 0 2572.38 2760.68 138.40 o -6 1 0 674.80 641.26 31.98 o -5 1 0 194.53 158.26 9.75 o -4 1 0 2522.33 2882.79 113.24 o -3 1 0 520.87 757.86 24.98 o 2 1 0 41.64 200.15 18.94 o 3 1 0 309.77 710.32 26.58 o 4 1 0 2226.28 2318.01 51.79 o 5 1 0 588.08 324.64 24.87 o 6 1 0 4015.86 3025.23 70.28 o 7 1 0 5914.38 6503.72 137.51 o 8 1 0 899.99 903.91 28.80 o 9 1 0 60.40 45.76 7.14 o 10 1 0 2843.23 2928.90 60.11 o 11 1 0 4315.03 3923.67 88.00 o 12 1 0 317.66 263.40 13.16 o 13 1 0 262.68 232.91 21.71 o 14 1 0 2783.44 2701.15 107.84 o 15 1 0 1350.84 1260.41 63.37 o 16 1 0 395.21 366.46 33.43 o -16 2 0 962.10 964.70 71.18 o -15 2 0 53.53 45.25 24.29 o -14 2 0 3.76 5.06 7.83 o -13 2 0 1997.09 2225.43 155.32 o -12 2 0 872.29 899.36 50.68 o -11 2 0 3218.75 3028.22 115.92 o -10 2 0 52.37 63.69 6.07 o -9 2 0 863.01 973.88 62.70 o -8 2 0 1262.73 1282.38 74.49 o -7 2 0 17.70 81.70 9.30 o -6 2 0 0.03 -0.36 6.53 o -5 2 0 1206.30 947.35 22.35 o -4 2 0 38880.75 45985.74 383.25 o -3 2 0 965.48 1421.97 39.81 o 1 2 0 3570.63 4468.54 260.00 o 2 2 0 5435.17 6829.25 207.36 o 3 2 0 1210.04 1199.66 51.75 o 4 2 0 3672.69 2616.62 127.69 o 5 2 0 2831.62 2337.42 87.83 o 6 2 0 2680.02 2287.99 84.29 o 7 2 0 7410.12 7530.82 195.34 o 8 2 0 5214.79 4856.11 81.82 o 9 2 0 1572.34 1377.40 29.36 o 10 2 0 496.83 506.85 21.58 o 11 2 0 3.17 -7.25 4.83 o 12 2 0 514.14 541.17 24.39 o 13 2 0 1818.55 1754.76 99.17 o 14 2 0 1766.19 1770.23 84.20 o 15 2 0 412.50 513.70 49.58 o 16 2 0 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1148.27 1225.77 53.05 o -8 7 0 0.62 8.60 5.48 o -7 7 0 53.97 70.16 6.36 o -6 7 0 3374.32 3277.56 47.45 o -5 7 0 4182.28 4155.62 57.18 o -4 7 0 1451.70 1350.96 32.61 o -3 7 0 537.21 661.76 20.44 o -2 7 0 2317.13 2221.33 50.29 o -1 7 0 139.93 126.92 9.62 o 0 7 0 106.96 68.92 16.18 o 1 7 0 19.78 27.35 8.58 o 2 7 0 3160.83 3127.10 127.67 o 3 7 0 26839.30 25335.07 294.67 o 4 7 0 1398.31 1352.14 41.15 o 5 7 0 29.56 18.92 6.76 o 6 7 0 768.91 565.53 23.27 o 7 7 0 452.76 506.85 24.10 o 8 7 0 433.07 476.61 23.12 o 9 7 0 2741.88 2455.30 89.82 o 10 7 0 10.02 9.06 7.93 o 11 7 0 149.89 134.64 12.15 o 12 7 0 866.70 854.23 47.18 o 13 7 0 325.40 374.01 28.79 o -16 8 0 227.28 199.13 31.92 o -15 8 0 1.98 -5.67 14.05 o -14 8 0 384.64 386.89 32.15 o -13 8 0 5051.06 4601.04 163.61 o -12 8 0 141.84 123.63 11.35 o -11 8 0 42.90 34.65 8.45 o -10 8 0 883.43 822.13 39.65 o -9 8 0 325.87 355.60 18.83 o -8 8 0 2237.38 2037.69 38.29 o -7 8 0 876.56 899.75 25.84 o -6 8 0 425.82 522.08 16.07 o -5 8 0 449.21 420.25 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