#------------------------------------------------------------------------------ #$Date: 2019-07-03 07:10:28 +0300 (Wed, 03 Jul 2019) $ #$Revision: 216703 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021695.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_2021695 _cell_angle_alpha 78.449 _cell_angle_beta 84.378 _cell_angle_gamma 89.318 _cell_length_a 8.0824 _cell_length_b 11.7880 _cell_length_c 19.7453 _exptl_crystal_F_000 944.00 _reflns_d_resolution_high 0.8254 _cod_data_source_file xi2017RZsup3.hkl _cod_data_source_block RZ _shelx_title ' SIR92 run in space group P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 235.82 _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 4 0 0 559.58 529.05 56.47 o 5 0 0 1682.12 1783.42 144.75 o 6 0 0 532.13 513.50 68.49 o 7 0 0 936.62 247.28 317.41 o 8 0 0 73.04 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