#------------------------------------------------------------------------------ #$Date: 2018-02-14 10:12:01 +0200 (Wed, 14 Feb 2018) $ #$Revision: 206434 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242385.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_2242385 _cell_angle_alpha 77.860 _cell_angle_beta 67.570 _cell_angle_gamma 64.036 _cell_length_a 12.4340 _cell_length_b 13.9981 _cell_length_c 14.4912 _exptl_crystal_F_000 1176.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file su5420Isup2.hkl _cod_data_source_block I _shelx_title ' ok in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 260.23 _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 0 384.47 336.39 18.43 o 2 0 0 46856.97 49151.11 1366.21 o 3 0 0 1069.33 1093.48 29.50 o 4 0 0 11486.94 11566.16 252.24 o 5 0 0 0.18 48.43 17.55 o 6 0 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