#------------------------------------------------------------------------------ #$Date: 2019-07-31 07:41:55 +0300 (Wed, 31 Jul 2019) $ #$Revision: 217324 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/30/2243039.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_2243039 _cell_angle_alpha 111.980 _cell_angle_beta 100.360 _cell_angle_gamma 97.737 _cell_length_a 7.6354 _cell_length_b 9.9700 _cell_length_c 11.8980 _exptl_crystal_F_000 442.00 _reflns_d_resolution_high 0.7701 _cod_data_source_file su5505IIIsup4.hkl _cod_data_source_block III _shelx_title ' x728a_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 165.95 _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 1 0 0 830.91 997.28 9.45 o 2 0 0 906.12 891.29 15.42 o 3 0 0 3039.41 3251.20 52.22 o 4 0 0 2683.07 2724.37 46.03 o 5 0 0 1.71 10.57 6.76 o 6 0 0 100.77 111.13 17.50 o 7 0 0 4022.09 3910.22 78.13 o 8 0 0 107.04 114.83 37.75 o 9 0 0 320.97 335.67 38.72 o -9 1 0 1049.24 1078.11 71.21 o -8 1 0 48.85 61.31 13.83 o -7 1 0 1159.08 1177.83 37.59 o -6 1 0 465.55 460.01 21.87 o -5 1 0 2071.98 2076.57 38.63 o -4 1 0 5.94 3.09 4.87 o -3 1 0 11967.29 11959.37 68.38 o -2 1 0 14665.13 15169.47 60.25 o -1 1 0 6504.02 6734.32 43.89 o 0 1 0 12858.95 10267.48 154.54 o 1 1 0 539.53 651.94 11.73 o 2 1 0 1682.95 1790.74 26.99 o 3 1 0 756.69 747.49 18.38 o 4 1 0 3482.50 3559.49 61.75 o 5 1 0 1212.99 1124.52 73.63 o 6 1 0 15.41 14.41 8.95 o 7 1 0 2018.96 1976.42 96.28 o 8 1 0 2.14 -19.59 19.59 o 9 1 0 28.10 23.07 21.43 o -9 2 0 889.06 880.35 48.63 o -8 2 0 277.56 291.23 22.54 o -7 2 0 2.20 11.76 10.45 o -6 2 0 86.49 101.60 11.39 o -5 2 0 4766.69 4632.84 60.39 o -4 2 0 1824.98 1899.62 31.73 o -3 2 0 5394.45 5370.08 43.74 o -2 2 0 9523.36 9832.73 75.89 o -1 2 0 379.45 243.59 7.80 o 0 2 0 32.34 39.33 7.19 o 1 2 0 38.29 45.84 5.34 o 2 2 0 4221.48 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