#------------------------------------------------------------------------------ #$Date: 2021-03-11 08:03:05 +0200 (Thu, 11 Mar 2021) $ #$Revision: 262992 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108788.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_2108788 _cell_angle_alpha 89.859 _cell_angle_beta 67.664 _cell_angle_gamma 68.977 _cell_length_a 14.2252 _cell_length_b 16.1364 _cell_length_c 16.2813 _exptl_crystal_F_000 1412.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file aw5051IIsup3.hkl _cod_data_source_block II _shelx_title ' OPTI in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 442.67 _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 0 0 3 1598.66 989.11 19.21 o 0 0 3 1598.66 1168.77 26.05 o 0 0 4 25015.13 25304.30 110.11 o 0 0 -4 25015.13 25137.21 311.82 o 0 0 -4 25015.13 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90.11 o -11 9 -8 441.71 365.57 82.60 o -11 8 -2 629.23 656.90 76.88 o -11 8 -2 629.23 608.91 92.40 o -11 8 -3 49.53 94.75 72.62 o -11 8 -3 49.53 56.88 69.12 o -11 8 -4 129.32 190.11 72.25 o -11 8 -4 129.32 180.41 68.62 o -11 8 -5 3.04 34.25 73.77 o -11 8 -5 3.04 14.82 62.80 o -11 8 -6 38.36 -12.84 75.67 o -11 8 -6 38.36 32.79 66.42 o -11 8 -7 14.06 35.47 76.99 o -11 8 -7 14.06 -10.00 65.27 o -11 8 -8 1.90 1.80 70.79 o -11 8 -8 1.90 -18.36 63.31 o -11 8 -9 193.51 127.67 83.34 o -11 8 -9 193.51 112.86 63.91 o -11 8 -10 7.47 30.16 67.60 o -11 8 -10 7.47 -16.87 74.61 o -11 8 -11 146.85 140.07 64.21 o -11 8 -11 146.85 223.92 84.37 o -11 8 -12 47.69 97.08 87.55 o -11 8 -12 47.69 43.94 65.06 o -11 7 0 1202.63 1473.76 81.75 o -11 7 0 1202.63 1354.78 98.35 o -11 7 -1 178.87 212.90 83.42 o -11 7 -1 178.87 203.50 65.73 o -11 7 -2 656.34 705.06 88.95 o -11 7 -2 656.34 701.07 75.80 o -11 7 -3 186.03 160.40 69.28 o -11 7 -3 186.03 186.31 67.38 o -11 7 -4 604.91 806.53 81.98 o -11 7 -4 604.91 684.18 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3257.93 112.36 o -11 5 -5 713.13 722.32 76.56 o -11 5 -5 713.13 782.29 76.79 o -11 5 -6 521.82 517.13 68.06 o -11 5 -6 521.82 372.20 71.01 o -11 5 -7 49.49 23.04 65.27 o -11 5 -7 49.49 48.78 55.46 o -11 5 -8 1992.60 1959.17 85.34 o -11 5 -8 1992.60 2105.41 100.90 o -11 5 -9 548.77 481.12 62.06 o -11 5 -9 548.77 500.29 80.71 o -11 5 -10 625.71 701.25 64.54 o -11 5 -10 625.71 580.42 85.44 o -11 5 -11 1024.16 986.93 68.94 o -11 5 -11 1024.16 963.68 84.18 o -11 5 -12 1531.20 1618.64 98.63 o -11 5 -12 1531.20 1617.92 76.91 o -11 5 -13 1775.37 1772.60 102.68 o -11 5 -13 1775.37 1900.71 78.20 o -11 5 -14 547.90 667.47 89.73 o -11 5 -14 547.90 546.55 56.48 o -11 5 -15 311.23 383.12 92.03 o -11 4 4 50.39 22.54 84.49 o -11 4 3 14.13 0.25 73.65 o -11 4 2 828.42 769.86 82.58 o -11 4 1 159.12 124.94 76.63 o -11 4 1 159.12 176.43 52.18 o -11 4 0 344.06 372.76 55.13 o -11 4 0 344.06 342.07 75.38 o -11 4 -1 17.69 14.45 53.80 o -11 4 -1 17.69 -5.10 57.90 o -11 4 -2 270.19 317.77 63.25 o -11 4 -2 270.19 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163.32 132.11 70.41 o -11 2 -16 350.44 284.94 82.10 o -11 2 -17 17.97 45.56 70.46 o -11 1 6 419.61 411.26 78.46 o -11 1 5 142.10 139.16 69.38 o -11 1 4 284.46 210.09 76.28 o -11 1 3 249.23 283.63 75.13 o -11 1 2 174.74 172.02 42.52 o -11 1 2 174.74 232.39 73.59 o -11 1 1 30.98 32.22 45.94 o -11 1 1 30.98 41.18 68.00 o -11 1 0 2071.17 2040.77 70.64 o -11 1 0 2071.17 2078.80 94.66 o -11 1 -1 230.88 209.36 53.42 o -11 1 -1 230.88 172.81 65.85 o -11 1 -2 1175.93 1154.24 68.47 o -11 1 -2 1175.93 1184.03 78.26 o -11 1 -3 0.02 -5.57 52.66 o -11 1 -3 0.02 28.30 56.35 o -11 1 -4 1341.34 1284.36 70.94 o -11 1 -4 1341.34 1167.95 70.74 o -11 1 -5 520.54 633.99 67.85 o -11 1 -5 520.54 582.50 60.45 o -11 1 -6 2044.42 1969.83 83.36 o -11 1 -6 2044.42 1984.91 75.40 o -11 1 -7 215.30 211.88 68.10 o -11 1 -7 215.30 210.77 48.02 o -11 1 -8 2166.32 2610.83 100.32 o -11 1 -8 2166.32 2368.74 75.47 o -11 1 -9 212.83 177.84 63.18 o -11 1 -9 212.83 180.85 42.80 o -11 1 -10 851.19 902.07 52.25 o -11 1 -10 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