#------------------------------------------------------------------------------ #$Date: 2018-11-23 05:59:13 +0200 (Fri, 23 Nov 2018) $ #$Revision: 212141 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/27/2242757.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_2242757 _cell_angle_alpha 94.775 _cell_angle_beta 104.200 _cell_angle_gamma 100.929 _cell_length_a 14.7694 _cell_length_b 15.5762 _cell_length_c 19.2813 _exptl_crystal_F_000 2076.40 _reflns_d_resolution_high 0.7700 _cod_data_source_file ex2013Isup2.hkl _cod_data_source_block I _shelx_title ' 2018ncs0008r2_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 408.94 _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 25521.79 27365.33 224.79 o 3 0 0 3931.04 3951.53 31.01 o 4 0 0 20231.28 20601.21 140.55 o 5 0 0 15417.38 14821.19 93.59 o 6 0 0 3420.62 3938.50 25.25 o 7 0 0 2309.09 2156.47 14.90 o 8 0 0 593.11 670.12 7.45 o 9 0 0 4331.08 4631.10 30.86 o 10 0 0 1924.05 1931.87 17.74 o 11 0 0 2533.03 2439.52 26.20 o 12 0 0 17113.62 16701.91 126.51 o 13 0 0 1622.11 1723.76 19.00 o 14 0 0 3390.83 3342.49 37.01 o 15 0 0 600.56 544.82 14.67 o 16 0 0 189.53 199.43 29.42 o 17 0 0 1752.87 1829.31 52.20 o 18 0 0 299.97 242.22 33.63 o -18 1 0 676.96 654.24 39.04 o -17 1 0 86.46 107.01 30.29 o -16 1 0 1331.92 1247.37 29.09 o -15 1 0 4760.96 4798.20 47.95 o -14 1 0 379.26 384.86 10.70 o -13 1 0 2689.35 2807.85 26.66 o -12 1 0 1602.46 1638.59 18.59 o -11 1 0 7002.66 6688.18 45.04 o -10 1 0 1174.28 1100.62 11.52 o -9 1 0 3795.07 3832.47 25.33 o -8 1 0 2102.17 2282.99 15.96 o -7 1 0 15086.40 15600.29 92.08 o -6 1 0 678.34 582.04 5.46 o -5 1 0 26824.29 29273.01 190.94 o -4 1 0 38349.45 42248.16 308.88 o -3 1 0 52034.27 52261.88 372.18 o -2 1 0 14065.36 15171.96 129.57 o 1 1 0 61153.55 61185.88 972.22 o 2 1 0 14789.69 15311.93 118.75 o 3 1 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3007.07 25.36 o -12 10 0 1394.16 1353.06 14.59 o -11 10 0 10834.61 11141.38 71.52 o -10 10 0 986.08 1031.07 12.09 o -9 10 0 164.79 188.21 7.70 o -8 10 0 680.33 676.46 9.92 o -7 10 0 7991.22 8241.05 56.30 o -6 10 0 12732.48 12348.23 78.48 o -5 10 0 1813.53 1732.66 15.79 o -4 10 0 1662.30 1695.67 15.65 o -3 10 0 47.48 71.85 5.92 o -2 10 0 4226.00 4584.25 31.56 o -1 10 0 107.50 83.39 6.58 o 0 10 0 4784.78 4918.80 35.46 o 1 10 0 3736.65 3565.50 27.89 o 2 10 0 5587.40 5275.28 37.55 o 3 10 0 4839.18 4982.24 36.47 o 4 10 0 263.02 261.50 8.45 o 5 10 0 117.30 159.88 8.25 o 6 10 0 5488.88 5528.73 40.86 o 7 10 0 469.26 420.44 9.42 o 8 10 0 2516.90 2514.63 25.46 o 9 10 0 3215.22 3035.74 28.51 o 10 10 0 1764.48 1791.07 20.88 o 11 10 0 22.36 54.26 12.29 o 12 10 0 1869.05 1738.99 29.79 o 13 10 0 1288.39 1339.76 33.42 o -17 11 0 163.42 186.11 16.39 o -16 11 0 2497.97 2584.67 35.29 o -15 11 0 21.69 40.13 13.43 o -14 11 0 1827.88 2061.37 23.47 o -13 11 0 4193.94 4184.35 35.86 o -12 11 0 118.53 145.96 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