#------------------------------------------------------------------------------ #$Date: 2019-06-12 07:25:17 +0300 (Wed, 12 Jun 2019) $ #$Revision: 215867 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021664.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_2021664 _cell_angle_alpha 90.000 _cell_angle_beta 93.466 _cell_angle_gamma 90.000 _cell_length_a 11.4980 _cell_length_b 13.7848 _cell_length_c 15.0417 _exptl_crystal_F_000 1432.72 _reflns_d_resolution_high 0.7186 _cod_data_source_file lg3239Compound_3sup4.hkl _cod_data_source_block Compound_3 _shelx_title ' 2010ac40una02 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 532.50 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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 30355.29 26486.91 1996.32 o 4 0 0 12848.87 12707.70 567.14 o 6 0 0 21138.90 19305.27 1373.39 o 8 0 0 80447.59 82620.60 4318.75 o 10 0 0 1506.08 1314.03 234.18 o 12 0 0 806.70 827.68 273.69 o 14 0 0 273.07 -13.76 304.53 o 1 1 0 95710.19 92181.56 2547.03 o 2 1 0 275.93 254.91 20.27 o 3 1 0 113.69 202.58 29.78 o 4 1 0 2219.23 2073.71 104.59 o 5 1 0 335.96 386.04 49.15 o 6 1 0 9653.52 9465.83 324.83 o 7 1 0 26865.97 25728.87 946.99 o 8 1 0 8664.72 8503.30 372.18 o 9 1 0 37810.60 39422.75 1643.53 o 10 1 0 26.39 -9.99 95.03 o 11 1 0 156.85 38.84 163.72 o 12 1 0 1964.52 2308.50 258.54 o 13 1 0 97.37 -185.84 185.84 o 14 1 0 6719.24 6881.97 486.21 o 15 1 0 694.93 380.90 246.74 o 0 2 0 27545.83 27062.57 1063.02 o 1 2 0 1300.25 1403.25 47.37 o 2 2 0 56514.98 55018.59 1526.31 o 3 2 0 22806.21 22593.92 655.28 o 4 2 0 3415.93 3322.55 112.05 o 5 2 0 11567.83 10549.32 309.06 o 6 2 0 256.70 176.80 53.96 o 7 2 0 46026.31 44230.75 2261.93 o 8 2 0 11615.40 11202.78 481.78 o 9 2 0 4933.69 4707.89 328.94 o 10 2 0 13428.81 13386.99 859.85 o 11 2 0 2008.47 2101.82 242.54 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