#------------------------------------------------------------------------------ #$Date: 2017-01-14 04:17:01 +0200 (Sat, 14 Jan 2017) $ #$Revision: 190483 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/20/2242018.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_2242018 _cell_angle_alpha 89.524 _cell_angle_beta 85.622 _cell_angle_gamma 71.202 _cell_length_a 6.9369 _cell_length_b 6.9624 _cell_length_c 28.4825 _exptl_crystal_F_000 684.00 _reflns_d_resolution_high 0.8113 _cod_data_source_file pj2040IIsup3.hkl _cod_data_source_block II _shelx_title ' scan_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 282.80 _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 5955.26 6986.82 203.03 o 2 0 0 492.83 701.73 30.87 o 3 0 0 1565.33 1567.51 88.11 o 4 0 0 2175.10 2208.00 124.11 o 5 0 0 543.70 468.88 42.14 o 6 0 0 1848.68 1107.83 100.36 o 7 0 0 147.61 133.31 78.53 o 8 0 0 63.79 92.96 30.43 o -7 1 0 1066.71 716.49 83.89 o -5 1 0 954.44 832.02 62.82 o -4 1 0 37.86 21.45 15.32 o -3 1 0 258.20 216.05 23.75 o -2 1 0 1441.18 1513.78 48.60 o -1 1 0 551.74 460.61 20.69 o 0 1 0 1853.76 1611.25 43.00 o 1 1 0 2968.92 3472.52 71.88 o 2 1 0 3019.33 3348.69 77.68 o 3 1 0 1784.68 2022.17 55.67 o 4 1 0 627.72 596.98 35.95 o 5 1 0 2176.91 1962.07 134.07 o 6 1 0 105.20 69.15 22.85 o 7 1 0 149.23 108.81 27.79 o 8 1 0 11.47 -2.15 22.11 o -7 2 0 138.62 127.83 34.13 o -6 2 0 55.41 26.05 29.88 o -5 2 0 59.18 62.82 24.52 o -4 2 0 1386.24 1270.25 82.74 o -3 2 0 1729.79 1714.61 100.36 o -2 2 0 949.73 979.12 58.99 o -1 2 0 2183.15 2114.31 64.28 o 0 2 0 52428.70 49964.23 1248.99 o 1 2 0 24.20 19.59 2.33 o 2 2 0 7422.62 8026.53 165.35 o 3 2 0 1837.05 2061.64 56.31 o 4 2 0 271.72 294.19 20.95 o 5 2 0 2608.74 2592.81 227.54 o 6 2 0 205.38 210.49 36.77 o 7 2 0 557.42 590.93 51.97 o 8 2 0 104.35 71.12 24.94 o -6 3 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