#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108083.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_2108083 _cell_angle_alpha 91.925 _cell_angle_beta 93.441 _cell_angle_gamma 93.722 _cell_length_a 8.8113 _cell_length_b 10.7232 _cell_length_c 11.5220 _exptl_crystal_F_000 555.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file ps50563_100Ksup19.hkl _cod_data_source_block 3_100K _shelx_title ' Br3Py_Co_100K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 243.42 _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 9399.31 9686.54 89.95 o 2 0 0 652.67 698.47 17.47 o 3 0 0 752.53 835.90 23.51 o 4 0 0 268.01 173.04 28.60 o 5 0 0 805.44 882.49 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