#------------------------------------------------------------------------------ #$Date: 2020-05-16 08:17:26 +0300 (Sat, 16 May 2020) $ #$Revision: 252090 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108603.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_2108603 _cell_angle_alpha 90.000 _cell_angle_beta 105.614 _cell_angle_gamma 90.000 _cell_length_a 8.2294 _cell_length_b 36.3550 _cell_length_c 8.1035 _exptl_crystal_F_000 1169.62 _reflns_d_resolution_high 0.8255 _cod_data_source_file xk5069complex2sup3.hkl _cod_data_source_block complex2 _shelx_title ' a in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 355.13 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 17818.31 19350.43 311.66 o 3 0 0 21827.24 21506.90 404.83 o 4 0 0 40722.75 41868.06 912.94 o 5 0 0 21963.30 21426.26 737.70 o 6 0 0 3008.07 3351.04 319.79 o 7 0 0 1613.05 2064.60 280.35 o 8 0 0 3657.72 4005.90 411.29 o 9 0 0 198.58 551.15 227.03 o 2 1 0 7000.01 6878.03 152.51 o 3 1 0 5289.86 5483.95 143.21 o 4 1 0 4914.03 4989.22 220.89 o 5 1 0 14292.19 13313.77 410.91 o 6 1 0 11353.89 9698.00 391.90 o 7 1 0 11218.64 10282.38 471.93 o 8 1 0 3860.56 4345.19 305.15 o 9 1 0 3501.95 3142.61 279.84 o 2 2 0 216.35 366.71 30.67 o 3 2 0 208.94 258.71 29.95 o 4 2 0 238.98 296.13 100.85 o 5 2 0 19.70 581.79 82.79 o 6 2 0 3.29 857.58 118.42 o 7 2 0 86.35 1083.07 162.14 o 8 2 0 141.73 793.33 169.44 o 9 2 0 2.16 1204.58 202.30 o 2 3 0 1447.02 1372.42 55.41 o 3 3 0 11218.37 10681.47 278.58 o 4 3 0 16123.19 15104.14 396.51 o 5 3 0 10548.54 10068.80 360.17 o 6 3 0 7302.01 6882.33 430.76 o 7 3 0 4676.74 5172.52 311.97 o 8 3 0 3570.31 3549.79 273.98 o 9 3 0 4546.41 3702.42 444.06 o 1 4 0 126118.91 127239.36 661.89 o 2 4 0 39548.78 40437.45 730.07 o 3 4 0 35915.68 36355.97 382.49 o 4 4 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