#------------------------------------------------------------------------------ #$Date: 2019-01-24 05:37:59 +0200 (Thu, 24 Jan 2019) $ #$Revision: 213283 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108360.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_2108360 _cell_angle_alpha 99.680 _cell_angle_beta 101.459 _cell_angle_gamma 90.199 _cell_length_a 7.2091 _cell_length_b 12.3296 _cell_length_c 13.5573 _exptl_crystal_F_000 689.00 _reflns_d_resolution_high 0.7477 _cod_data_source_file um50214sup5.hkl _cod_data_source_block 4 _shelx_title ' 4 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 196.24 _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 3119.72 3195.07 39.60 o 2 0 0 4630.66 4725.40 59.99 o 3 0 0 1064.29 1192.66 20.77 o 4 0 0 9950.67 9624.10 122.34 o 5 0 0 531.47 499.22 15.31 o 6 0 0 2360.07 2354.66 42.54 o 7 0 0 10.31 18.37 7.94 o 8 0 0 757.94 794.71 43.85 o 9 0 0 290.57 289.48 32.21 o -9 1 0 701.88 783.46 48.12 o -8 1 0 170.82 193.24 27.16 o -7 1 0 1023.55 1020.55 46.18 o -6 1 0 119.00 112.53 17.07 o -5 1 0 3158.20 3041.66 56.95 o -4 1 0 136.34 142.00 9.71 o -3 1 0 135.37 120.29 6.34 o -2 1 0 505.57 437.32 17.46 o -1 1 0 534.51 496.69 15.52 o 0 1 0 9.80 -0.97 0.97 o 1 1 0 7220.29 7315.91 75.44 o 2 1 0 14567.39 14560.78 344.42 o 3 1 0 1147.95 1145.75 19.93 o 4 1 0 1291.48 1293.31 24.07 o 5 1 0 114.67 114.18 15.39 o 6 1 0 99.88 116.06 10.34 o 7 1 0 219.22 225.19 14.89 o 8 1 0 687.35 665.90 29.10 o -8 2 0 974.88 979.42 50.83 o -7 2 0 633.90 673.25 38.80 o -6 2 0 1696.47 1690.31 59.37 o -5 2 0 2928.80 2984.04 83.82 o -4 2 0 7713.08 7517.92 171.90 o -3 2 0 2483.67 2678.65 69.07 o -2 2 0 13694.28 14703.68 309.27 o -1 2 0 364.16 358.16 13.19 o 0 2 0 33249.04 34873.02 417.92 o 1 2 0 383.20 383.03 6.09 o 2 2 0 4332.04 4324.05 54.99 o 3 2 0 10511.57 10949.18 134.15 o 4 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26.00 o 6 10 0 2758.29 2710.39 67.77 o 7 10 0 21.63 7.76 17.85 o -7 11 0 147.30 149.01 28.33 o -6 11 0 2306.31 2448.93 90.03 o -5 11 0 9.61 16.22 10.84 o -4 11 0 138.02 145.02 17.12 o -3 11 0 1763.38 1710.32 46.69 o -2 11 0 881.13 927.25 30.58 o -1 11 0 1317.58 1326.13 35.05 o 0 11 0 12.47 52.77 14.75 o 1 11 0 1807.82 1771.80 64.41 o 2 11 0 1.77 -4.66 8.54 o 3 11 0 63.65 75.11 12.02 o 4 11 0 184.07 168.87 17.23 o 5 11 0 913.80 874.09 79.35 o 6 11 0 101.08 111.37 25.61 o -6 12 0 121.75 157.26 21.66 o -5 12 0 18.47 12.42 11.65 o -4 12 0 2831.78 2720.91 67.39 o -3 12 0 1240.65 1199.01 38.40 o -2 12 0 21.06 30.53 9.19 o -1 12 0 51.73 65.58 17.85 o 0 12 0 674.68 816.05 44.62 o 1 12 0 3057.13 3020.13 95.07 o 2 12 0 2185.80 2182.74 74.89 o 3 12 0 111.65 99.41 14.17 o 4 12 0 871.06 844.13 33.75 o 5 12 0 41.73 25.96 12.81 o 6 12 0 1785.01 1748.52 78.38 o -5 13 0 43.99 54.72 15.02 o -4 13 0 3.00 6.54 23.28 o -3 13 0 1201.98 1045.00 60.15 o -2 13 0 472.49 479.62 43.85 o -1 13 0 317.47 289.09 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