#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:06:57 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199090 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020801.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_2020801 _cell_angle_alpha 106.356 _cell_angle_beta 93.891 _cell_angle_gamma 115.130 _cell_length_a 6.9966 _cell_length_b 7.1853 _cell_length_c 11.0431 _exptl_crystal_F_000 329.00 _reflns_d_resolution_high 0.7182 _cod_data_source_file fn3236compound_1sup2.hkl _cod_data_source_block compound_1 _shelx_title ' SIR92 run in space group P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.95 _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 4052.80 3930.33 91.73 o 2 0 0 4871.04 4745.41 58.61 o 3 0 0 1596.04 1517.46 16.81 o 4 0 0 5920.06 5977.20 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