#------------------------------------------------------------------------------ #$Date: 2016-07-23 04:33:20 +0300 (Sat, 23 Jul 2016) $ #$Revision: 184629 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/37/1543728.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_1543728 _cell_angle_alpha 71.528 _cell_angle_beta 79.919 _cell_angle_gamma 72.784 _cell_length_a 10.2857 _cell_length_b 14.3250 _cell_length_c 17.7940 _exptl_crystal_F_000 1123.90 _reflns_d_resolution_high 0.8298 _cod_data_source_file wm4020Isup2.hkl _cod_data_source_block I _shelx_title ' p1a P 1 R = 0.11 P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 519.88 _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 1 0 0 6268.23 6666.82 92.84 o 2 0 0 1577.55 1537.87 22.88 o 3 0 0 19832.78 20879.84 264.23 o 4 0 0 4309.29 4496.08 63.53 o 5 0 0 19218.80 20788.42 267.24 o 6 0 0 9817.45 10099.39 153.19 o 7 0 0 885.73 821.84 24.78 o 8 0 0 1456.57 1480.54 44.48 o 9 0 0 1111.39 1242.27 42.29 o 10 0 0 1499.66 1491.12 69.56 o 11 0 0 644.24 550.32 38.80 o -11 1 0 32.22 41.30 17.51 o -10 1 0 0.56 -0.64 10.87 o -9 1 0 11.69 12.63 9.68 o -8 1 0 11.90 11.22 7.17 o -7 1 0 29.24 21.76 6.61 o -6 1 0 741.59 731.93 21.97 o -5 1 0 1264.65 1423.05 28.04 o -4 1 0 588.23 628.92 14.28 o -3 1 0 1007.80 1055.45 17.62 o -2 1 0 170.96 164.63 5.84 o -1 1 0 14.55 15.34 2.33 o 0 1 0 5.42 -1.48 1.48 o 1 1 0 7.37 -2.55 2.55 o 2 1 0 1495.88 1429.54 21.82 o 3 1 0 45.65 31.50 3.72 o 4 1 0 268.60 313.26 10.20 o 5 1 0 2767.23 2912.78 56.32 o 6 1 0 65.95 52.97 7.22 o 7 1 0 102.54 96.17 11.61 o 8 1 0 194.65 203.81 18.07 o 9 1 0 321.92 311.43 21.59 o 10 1 0 202.61 186.73 20.58 o 11 1 0 9.98 14.71 11.96 o -11 2 0 1726.95 1754.32 70.15 o -10 2 0 232.22 245.29 28.32 o -9 2 0 10.65 6.84 9.06 o -8 2 0 649.26 660.92 29.10 o -7 2 0 1470.46 1372.50 34.99 o -6 2 0 5441.15 5549.29 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