#------------------------------------------------------------------------------ #$Date: 2019-07-10 07:33:04 +0300 (Wed, 10 Jul 2019) $ #$Revision: 216917 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021715.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_2021715 _cell_angle_alpha 95.180 _cell_angle_beta 106.637 _cell_angle_gamma 108.328 _cell_length_a 6.8271 _cell_length_b 8.1878 _cell_length_c 8.8227 _exptl_crystal_F_000 298.60 _reflns_d_resolution_high 0.7217 _cod_data_source_file lf3099BSMSsup4.hkl _cod_data_source_block BSMS _shelx_title ' BSMS_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 117.46 _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 1265.74 949.31 31.95 o 2 0 0 5706.27 5623.65 132.91 o 3 0 0 2998.63 3189.01 53.49 o 4 0 0 3192.20 3191.38 62.03 o 5 0 0 39.43 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