#------------------------------------------------------------------------------ #$Date: 2016-04-22 03:45:01 +0300 (Fri, 22 Apr 2016) $ #$Revision: 182247 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/04/2020490.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_2020490 _cell_angle_alpha 67.970 _cell_angle_beta 81.570 _cell_angle_gamma 85.390 _cell_length_a 6.6400 _cell_length_b 11.7100 _cell_length_c 14.2940 _exptl_crystal_F_000 575.00 _reflns_d_resolution_high 0.7196 _cod_data_source_file wq3112IIsup3.hkl _cod_data_source_block II _shelx_title ' ii_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 171.24 _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 0 268.72 204.19 16.89 o 2 0 0 2986.72 2989.84 17.09 o 3 0 0 859.78 989.46 13.37 o 4 0 0 633.30 655.47 10.71 o 5 0 0 718.67 747.54 12.95 o 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1342.39 24.84 o 3 7 0 631.63 600.26 17.13 o 4 7 0 248.11 232.98 9.46 o 5 7 0 96.61 101.01 10.84 o 6 7 0 1706.47 1661.01 59.70 o 7 7 0 25.19 -13.64 19.64 o -7 8 0 138.77 97.97 23.87 o -6 8 0 793.44 843.40 70.27 o -5 8 0 553.39 599.20 34.38 o -4 8 0 366.35 396.67 22.80 o -3 8 0 13.39 8.42 4.73 o -2 8 0 3943.54 4001.31 44.26 o -1 8 0 786.91 771.77 22.13 o 0 8 0 554.00 535.98 19.03 o 1 8 0 591.11 587.61 20.08 o 2 8 0 119.92 106.99 9.30 o 3 8 0 1235.22 1205.48 25.89 o 4 8 0 731.40 727.11 23.09 o 5 8 0 276.30 273.33 23.46 o 6 8 0 1572.92 1652.95 85.27 o 7 8 0 285.74 270.37 39.33 o -7 9 0 236.65 191.74 31.83 o -6 9 0 78.30 73.14 13.61 o -5 9 0 16.90 12.13 8.86 o -4 9 0 0.29 -0.41 7.57 o -3 9 0 164.97 143.58 15.09 o -2 9 0 308.18 315.29 13.91 o -1 9 0 10563.03 10502.64 98.12 o 0 9 0 476.25 485.01 19.41 o 1 9 0 1054.92 1022.83 28.37 o 2 9 0 259.25 240.19 16.43 o 3 9 0 529.38 533.47 20.54 o 4 9 0 937.39 993.36 36.00 o 5 9 0 73.08 58.23 13.45 o 6 9 0 51.96 20.37 16.90 o -6 10 0 41.28 13.97 12.39 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