#------------------------------------------------------------------------------ #$Date: 2020-11-25 07:09:49 +0200 (Wed, 25 Nov 2020) $ #$Revision: 259241 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022276.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_2022276 _cell_angle_alpha 61.912 _cell_angle_beta 86.182 _cell_angle_gamma 80.602 _cell_length_a 11.0642 _cell_length_b 11.1234 _cell_length_c 11.6697 _exptl_crystal_F_000 586.00 _reflns_d_resolution_high 0.7676 _cod_data_source_file qf30432sup3.hkl _cod_data_source_block 2 _shelx_title ' 4_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 115.76 _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 2 0 0 183.05 194.13 7.20 o 3 0 0 953.14 979.69 28.51 o 4 0 0 3761.87 3652.75 129.65 o 5 0 0 535.49 506.97 25.23 o 6 0 0 982.90 1098.67 46.55 o 7 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900.74 961.08 52.76 o 1 7 0 3410.30 3494.21 151.07 o 2 7 0 922.35 978.23 50.69 o 3 7 0 136.70 138.62 16.69 o 4 7 0 1076.80 1070.60 57.52 o 5 7 0 433.11 420.24 27.38 o 6 7 0 61.70 57.98 13.76 o 7 7 0 126.64 124.15 17.70 o 8 7 0 214.66 242.34 27.29 o 9 7 0 324.79 329.90 35.36 o 10 7 0 34.20 29.29 13.08 o 11 7 0 46.18 53.19 20.06 o 12 7 0 182.71 203.08 29.54 o 13 7 0 154.55 180.22 54.51 o -9 8 0 22.46 15.12 19.92 o -8 8 0 126.89 124.19 27.26 o -7 8 0 7.15 7.04 15.01 o -6 8 0 31.94 22.72 13.84 o -5 8 0 517.98 488.22 43.09 o -4 8 0 356.51 355.10 26.51 o -3 8 0 1.18 0.59 8.66 o -2 8 0 1117.58 1161.78 60.44 o -1 8 0 999.79 981.06 53.00 o 0 8 0 459.63 476.57 31.67 o 1 8 0 593.85 611.05 36.91 o 2 8 0 58.17 56.19 14.88 o 3 8 0 1020.28 1067.79 59.14 o 4 8 0 2157.56 2168.54 99.19 o 5 8 0 142.58 146.21 18.73 o 6 8 0 10.82 12.04 10.29 o 7 8 0 4.33 8.12 13.65 o 8 8 0 690.55 702.56 38.82 o 9 8 0 115.44 119.47 22.89 o 10 8 0 60.31 63.46 23.03 o 11 8 0 296.93 280.90 31.82 o 12 8 0 252.09 250.19 57.15 o 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