#------------------------------------------------------------------------------ #$Date: 2016-09-30 04:31:37 +0300 (Fri, 30 Sep 2016) $ #$Revision: 186846 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/05/2020591.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_2020591 _cell_angle_alpha 76.670 _cell_angle_beta 89.496 _cell_angle_gamma 82.641 _cell_length_a 8.3747 _cell_length_b 10.5732 _cell_length_c 11.0883 _exptl_crystal_F_000 536.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file sk3638IIsup3.hkl _cod_data_source_block II _shelx_title ' Chi1 in P-1 # 2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 230.25 _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 2586.14 2805.05 39.30 o 3 0 0 8742.19 9203.75 108.05 o 4 0 0 369.99 364.29 19.88 o 5 0 0 3047.94 3115.37 89.80 o 6 0 0 6834.11 7336.05 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