#------------------------------------------------------------------------------ #$Date: 2020-06-06 08:30:26 +0300 (Sat, 06 Jun 2020) $ #$Revision: 252982 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/34/2243427.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_2243427 _cell_angle_alpha 95.782 _cell_angle_beta 102.874 _cell_angle_gamma 93.843 _cell_length_a 7.8746 _cell_length_b 9.7566 _cell_length_c 15.0004 _exptl_crystal_F_000 600.00 _reflns_d_resolution_high 0.8001 _cod_data_source_file mw2159IIIsup4.hkl _cod_data_source_block III _shelx_title ' CHI32 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 300.29 _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 12917.46 12951.77 172.57 o 2 0 0 185.86 224.71 10.69 o 3 0 0 63.19 82.98 7.67 o 4 0 0 3898.36 3997.39 116.12 o 5 0 0 1800.22 1733.97 72.08 o 6 0 0 4351.08 4477.69 136.32 o 7 0 0 3668.38 3806.64 204.10 o 8 0 0 2276.87 2551.11 143.32 o 9 0 0 19.20 6.71 19.90 o -9 1 0 2346.86 2266.69 188.91 o -8 1 0 1441.78 1416.90 93.95 o -7 1 0 34.44 26.94 13.14 o -6 1 0 2589.30 2464.85 79.67 o -5 1 0 8157.41 8204.01 317.26 o -4 1 0 10549.35 10348.83 242.17 o -3 1 0 11646.46 11845.95 256.51 o -2 1 0 90.01 102.64 6.75 o -1 1 0 347.23 449.21 10.96 o 1 1 0 33866.52 32022.70 502.32 o 2 1 0 5236.47 4828.70 91.18 o 3 1 0 9807.68 9998.79 176.68 o 4 1 0 5398.12 5475.02 200.37 o 5 1 0 259.20 286.34 32.39 o 6 1 0 1590.37 1384.65 91.04 o 7 1 0 5543.40 5693.21 196.99 o 8 1 0 4886.97 4797.67 190.21 o 9 1 0 2594.45 2781.61 306.99 o -9 2 0 2760.87 2857.73 159.57 o -8 2 0 4581.48 4832.92 270.61 o -7 2 0 2025.41 2050.31 90.28 o -6 2 0 515.44 506.84 32.78 o -5 2 0 765.85 802.81 40.26 o -4 2 0 1721.61 1718.88 43.13 o -3 2 0 5697.24 5854.27 128.35 o -2 2 0 21324.81 21325.48 443.63 o -1 2 0 1307.21 1334.42 18.54 o 0 2 0 4440.05 4384.24 55.89 o 1 2 0 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