#------------------------------------------------------------------------------ #$Date: 2022-02-22 04:59:25 +0200 (Tue, 22 Feb 2022) $ #$Revision: 273082 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/25/2022576.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_2022576 _cell_angle_alpha 96.791 _cell_angle_beta 91.486 _cell_angle_gamma 116.491 _cell_length_a 10.1150 _cell_length_b 10.7515 _cell_length_c 26.6371 _exptl_crystal_F_000 1172.00 _reflns_d_resolution_high 0.7391 _cod_data_source_file zo3012Compound_3sup3.hkl _cod_data_source_block Compound_3 _shelx_title ' msb585_4_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 215.91 _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 19867.44 18797.28 960.48 o -1 0 0 19867.45 18083.59 982.30 o -1 0 0 19867.45 18006.74 889.71 o -1 0 0 17674.93 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