#------------------------------------------------------------------------------ #$Date: 2024-12-03 04:56:34 +0200 (Tue, 03 Dec 2024) $ #$Revision: 296195 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/27/2312705.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_2312705 _cell_angle_alpha 90.000 _cell_angle_beta 103.035 _cell_angle_gamma 90.000 _cell_length_a 9.7136 _cell_length_b 23.7590 _cell_length_c 19.9289 _exptl_crystal_F_000 2972.00 _reflns_d_resolution_high 0.8450 _cod_data_source_file yv50211sup2.hkl _cod_data_source_block 1 _shelx_title ' 1 in P21/c #14' _shelx_refln_list_code 4 _shelx_f_calc_maximum 955.23 _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 1 0 0 29.00 713.33 519.95 o 2 0 0 261104.70 275570.00 11211.95 o 3 0 0 3824.29 3812.93 500.47 o 4 0 0 4649.04 5654.66 679.47 o 5 0 0 2961.88 1419.43 827.33 o 6 0 0 23668.21 23652.01 1194.93 o 7 0 0 501.71 391.25 242.87 o 8 0 0 2901.97 2684.35 538.85 o 9 0 0 14461.01 12586.50 1338.89 o 10 0 0 6449.37 6886.86 1110.51 o 11 0 0 324.92 393.89 420.72 o 2 1 0 6966.68 7338.95 554.23 o 3 1 0 33760.92 34569.93 1148.03 o 4 1 0 1259.92 1083.67 221.86 o 5 1 0 18376.96 20674.55 2409.50 o 6 1 0 16783.62 15147.71 689.82 o 7 1 0 539.37 376.61 155.01 o 8 1 0 2534.36 2570.17 374.99 o 9 1 0 1084.96 904.68 365.14 o 10 1 0 8393.05 7949.25 785.55 o 11 1 0 77.66 229.68 281.53 o 2 2 0 538.89 554.59 235.00 o 3 2 0 256636.20 256941.81 4882.59 o 4 2 0 103.59 80.10 134.01 o 5 2 0 54735.83 51559.02 1441.47 o 6 2 0 2776.31 2829.59 338.68 o 7 2 0 6430.88 4355.46 635.25 o 8 2 0 3430.90 3896.62 472.34 o 9 2 0 585.76 455.46 308.33 o 10 2 0 12114.36 14094.48 1040.12 o 11 2 0 284.94 257.69 306.99 o 1 3 0 793.71 223.47 169.06 o 2 3 0 4762.68 4685.25 432.63 o 3 3 0 12305.88 9819.83 609.19 o 4 3 0 3530.35 3213.17 299.47 o 5 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