#------------------------------------------------------------------------------ #$Date: 2016-12-10 04:31:36 +0200 (Sat, 10 Dec 2016) $ #$Revision: 189041 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/47/1544770.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_1544770 _cell_angle_alpha 90.000 _cell_angle_beta 96.229 _cell_angle_gamma 90.000 _cell_length_a 5.0941 _cell_length_b 22.9463 _cell_length_c 15.8308 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.8411 _cod_data_source_file su4103Isup2.hkl _cod_data_source_block I _shelx_title ' 1 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 380.09 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, 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 1 0 0 46952.57 52935.08 1763.08 o 2 0 0 70974.04 71818.58 2399.27 o 3 0 0 21918.52 21778.43 1096.66 o 4 0 0 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