#------------------------------------------------------------------------------ #$Date: 2016-12-02 04:16:56 +0200 (Fri, 02 Dec 2016) $ #$Revision: 188822 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/19/2241969.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_2241969 _cell_angle_alpha 89.480 _cell_angle_beta 80.345 _cell_angle_gamma 60.858 _cell_length_a 13.4874 _cell_length_b 13.7517 _cell_length_c 13.8397 _exptl_crystal_F_000 1008.00 _reflns_d_resolution_high 0.8274 _cod_data_source_file bg2598Isup2.hkl _cod_data_source_block I _shelx_title ' Compound_I' _shelx_refln_list_code 4 _shelx_f_calc_maximum 340.87 _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 2 0 0 7804.22 7927.71 173.82 o 3 0 0 19364.22 20209.95 433.37 o 4 0 0 10996.21 11282.74 251.56 o 5 0 0 2551.61 2679.63 75.36 o 6 0 0 13074.71 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