#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:10:09 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199099 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020818.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_2020818 _cell_angle_alpha 90.000 _cell_angle_beta 97.521 _cell_angle_gamma 90.000 _cell_length_a 8.1694 _cell_length_b 17.2478 _cell_length_c 7.7689 _exptl_crystal_F_000 848.00 _reflns_d_resolution_high 0.7110 _cod_data_source_file fn3228Isup2.hkl _cod_data_source_block I _shelx_title ' import in C 2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 324.20 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 4 0 0 50663.28 50670.73 1106.78 o 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6 0 330.14 332.48 61.77 o 1 7 0 381.90 550.88 19.17 o 3 7 0 138.44 185.51 17.72 o 5 7 0 2044.77 1974.19 57.29 o 7 7 0 942.16 1004.67 61.62 o 9 7 0 613.21 554.08 48.32 o 0 8 0 2165.62 2350.59 44.25 o 2 8 0 5269.97 5461.69 72.07 o 4 8 0 3754.89 3751.03 73.12 o 6 8 0 138.50 156.84 29.65 o 8 8 0 28.88 4.54 31.41 o 10 8 0 1018.01 1085.48 82.30 o 1 9 0 1505.98 1572.00 29.60 o 3 9 0 1251.81 1198.46 41.47 o 5 9 0 871.43 778.39 40.78 o 7 9 0 41.28 9.49 28.35 o 9 9 0 212.04 246.41 47.77 o 0 10 0 156.84 105.30 24.06 o 2 10 0 1923.42 1787.72 53.68 o 4 10 0 172.79 187.31 34.66 o 6 10 0 923.74 1015.37 51.45 o 8 10 0 0.18 -34.75 34.75 o 10 10 0 112.58 43.61 55.45 o 1 11 0 230.33 203.64 20.25 o 3 11 0 255.83 214.09 23.05 o 5 11 0 124.11 126.72 28.92 o 7 11 0 207.57 208.97 35.74 o 9 11 0 65.51 33.79 45.12 o 0 12 0 3177.45 2913.18 107.55 o 2 12 0 23.53 20.45 16.55 o 4 12 0 866.72 774.99 39.31 o 6 12 0 41.95 58.78 29.45 o 8 12 0 59.45 87.00 42.36 o 1 13 0 815.43 800.54 48.27 o 3 13 0 6893.56 6890.86 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63.63 o 2 6 1 10746.62 11314.35 133.34 o 4 6 1 6172.44 6187.72 92.19 o 6 6 1 66.23 43.35 24.78 o 8 6 1 893.56 908.67 50.68 o 10 6 1 675.69 705.23 63.09 o -9 7 1 6409.42 6422.21 157.44 o -7 7 1 5521.71 5440.63 209.81 o -5 7 1 5958.11 5939.65 88.34 o -3 7 1 16733.00 16060.16 151.93 o -1 7 1 47226.36 47120.43 387.28 o 1 7 1 6112.97 5880.53 58.30 o 3 7 1 21720.71 21413.64 219.11 o 5 7 1 6841.85 7004.88 109.25 o 7 7 1 11122.64 11017.66 159.85 o 9 7 1 807.96 820.24 60.37 o -10 8 1 6770.40 7367.48 181.05 o -8 8 1 5877.45 5656.73 139.57 o -6 8 1 29161.27 29870.20 412.11 o -4 8 1 27105.28 27394.46 272.81 o -2 8 1 34303.79 34358.33 304.70 o 0 8 1 40352.00 40841.87 335.89 o 2 8 1 32842.20 32564.70 295.56 o 4 8 1 20860.13 20014.68 235.31 o 6 8 1 8183.30 8137.16 126.28 o 8 8 1 5231.43 5397.29 109.74 o 10 8 1 4014.65 4296.55 144.39 o -9 9 1 270.15 166.94 51.30 o -7 9 1 303.19 300.80 36.13 o -5 9 1 1484.87 1508.96 45.92 o -3 9 1 549.55 561.55 24.25 o -1 9 1 374.56 309.46 15.10 o 1 9 1 262.15 287.30 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