#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108072.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_2108072 _cell_angle_alpha 85.328 _cell_angle_beta 87.483 _cell_angle_gamma 62.462 _cell_length_a 9.0080 _cell_length_b 10.8995 _cell_length_c 11.7691 _exptl_crystal_F_000 487.00 _reflns_d_resolution_high 0.7876 _cod_data_source_file ps50561_296Ksup7.hkl _cod_data_source_block 1_296K _shelx_title ' Br2Py_RT_0m in P-1 No2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.73 _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 5212.42 5302.35 163.89 o 3 0 0 13012.04 13361.99 297.54 o 4 0 0 1377.62 1243.62 42.79 o 5 0 0 0.97 7.95 5.77 o 6 0 0 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