#------------------------------------------------------------------------------ #$Date: 2017-01-14 04:45:49 +0200 (Sat, 14 Jan 2017) $ #$Revision: 190494 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/50/1545038.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_1545038 _cell_angle_alpha 89.737 _cell_angle_beta 78.229 _cell_angle_gamma 60.997 _cell_length_a 10.9903 _cell_length_b 11.2364 _cell_length_c 14.1608 _exptl_crystal_F_000 628.00 _reflns_d_resolution_high 0.7700 _cod_data_source_file pk4011Isup2.hkl _cod_data_source_block I _shelx_title ' User-defined' _shelx_refln_list_code 4 _shelx_f_calc_maximum 145.68 _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 38.97 36.13 1.95 o 3 0 0 9484.94 9596.84 94.69 o 4 0 0 4403.20 4385.20 50.88 o 5 0 0 3038.07 3111.60 41.44 o 6 0 0 8.12 30.15 3.98 o 7 0 0 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