#------------------------------------------------------------------------------ #$Date: 2017-07-25 13:37:46 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199293 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/66/1546699.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_1546699 _cell_angle_alpha 114.214 _cell_angle_beta 101.275 _cell_angle_gamma 90.978 _cell_length_a 8.4015 _cell_length_b 9.0041 _cell_length_c 9.1465 _exptl_crystal_F_000 256.00 _reflns_d_resolution_high 0.7999 _cod_data_source_file sj4106Isup2.hkl _cod_data_source_block I _shelx_title ' JTM780_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 69.19 _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 0 175.99 172.58 11.22 o 2 0 0 40.63 51.58 1.40 o 3 0 0 9.69 10.14 0.64 o 4 0 0 307.35 301.65 14.50 o 5 0 0 96.99 88.52 3.44 o 6 0 0 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