#------------------------------------------------------------------------------ #$Date: 2018-12-04 05:50:51 +0200 (Tue, 04 Dec 2018) $ #$Revision: 212311 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/27/2242762.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_2242762 _cell_angle_alpha 90.000 _cell_angle_beta 114.316 _cell_angle_gamma 90.000 _cell_length_a 30.6418 _cell_length_b 8.0866 _cell_length_c 23.4128 _exptl_crystal_F_000 2704.00 _reflns_d_resolution_high 0.7243 _cod_data_source_file eb2014Isup2.hkl _cod_data_source_block I _shelx_title ' jg?dIC/2016 in C2c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 531.92 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' '-x, -y, -z' '-x, y, -z-1/2' '-x+1/2, -y+1/2, -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 6 0 0 218538.30 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174.45 44.47 162.37 o 37 1 0 302.53 -65.75 191.45 o 0 2 0 85691.13 88898.77 913.08 o 2 2 0 25965.05 25665.63 455.77 o 4 2 0 7037.74 7172.50 228.03 o 6 2 0 47.41 118.25 29.94 o 8 2 0 12423.00 12769.97 234.03 o 10 2 0 800.20 835.27 63.00 o 12 2 0 12502.41 12211.61 251.43 o 14 2 0 1442.20 1419.99 95.79 o 16 2 0 70337.41 69200.23 839.24 o 18 2 0 12901.47 13035.10 417.84 o 20 2 0 1500.65 1124.58 120.63 o 22 2 0 1321.27 1128.30 173.26 o 24 2 0 14914.09 15759.11 719.12 o 26 2 0 1259.08 1216.96 189.65 o 28 2 0 439.85 190.83 159.74 o 30 2 0 9.27 30.52 133.75 o 32 2 0 420.77 252.36 158.38 o 34 2 0 3491.50 3554.26 483.85 o 36 2 0 1520.79 1570.12 553.07 o 1 3 0 879.82 987.22 64.81 o 3 3 0 1.16 -15.61 33.24 o 5 3 0 3281.24 3476.04 142.26 o 7 3 0 18153.09 17735.51 451.55 o 9 3 0 10956.73 9522.40 499.80 o 11 3 0 9992.23 9281.00 342.46 o 13 3 0 152.67 122.50 25.68 o 15 3 0 7134.01 6744.90 237.89 o 17 3 0 0.02 2.05 30.27 o 19 3 0 5730.10 5422.79 242.35 o 21 3 0 3318.54 3460.02 220.71 o 23 3 0 627.05 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