#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:52:10 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199056 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/81/2108103.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_2108103 _cell_angle_alpha 90.000 _cell_angle_beta 91.994 _cell_angle_gamma 90.000 _cell_length_a 16.0632 _cell_length_b 8.6414 _cell_length_c 16.3102 _exptl_crystal_F_000 1876.00 _reflns_d_resolution_high 0.7965 _cod_data_source_file eb5060TPBHP_85Ksup3.hkl _cod_data_source_block TPBHP_85K _shelx_title ' TPBHP_85K in P2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1059.16 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' 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 3 0 0 3912.56 3430.85 969.33 o 4 0 0 306730.06 321614.69 2665.56 o 5 0 0 93947.47 91068.14 1456.10 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