#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:44:23 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199048 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108064.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_2108064 _cell_angle_alpha 90.000 _cell_angle_beta 90.109 _cell_angle_gamma 90.000 _cell_length_a 11.0898 _cell_length_b 10.5667 _cell_length_c 16.2713 _exptl_crystal_F_000 1889.40 _reflns_d_resolution_high 0.7570 _cod_data_source_file bp5092compound_2sup3.hkl _cod_data_source_block compound_2 _shelx_title ' ucr_2_3 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 584.31 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 8968.22 7906.64 816.89 o 2 0 0 28422.66 27840.34 4552.26 o 3 0 0 6563.73 9131.01 1629.90 o 4 0 0 264832.66 299228.31 61173.16 o 5 0 0 5999.80 8026.51 1515.39 o 6 0 0 165430.00 203317.20 36409.68 o 7 0 0 63750.61 72364.70 13904.74 o 8 0 0 16510.71 17497.67 2587.92 o 9 0 0 5323.06 6215.43 948.75 o 10 0 0 139584.03 153100.45 19948.71 o 11 0 0 8089.95 9263.88 2710.72 o 12 0 0 4921.68 5307.77 1177.32 o 13 0 0 18824.99 11301.66 1822.52 o 14 0 0 16426.26 9106.31 1731.52 o 1 1 0 6607.60 8451.95 1042.12 o 2 1 0 12021.41 13650.31 1930.34 o 3 1 0 81697.40 83815.71 8108.54 o 4 1 0 5993.34 6062.84 682.66 o 5 1 0 248.96 240.61 87.64 o 6 1 0 62.55 27.78 91.05 o 7 1 0 25224.28 25512.44 2797.72 o 8 1 0 11271.02 12521.27 1715.19 o 9 1 0 4062.46 4805.90 693.53 o 10 1 0 6860.14 8287.04 1361.36 o 11 1 0 7.34 106.29 217.91 o 12 1 0 1130.25 738.10 379.07 o 13 1 0 6871.72 4678.10 931.83 o 14 1 0 3048.40 1210.21 717.70 o 0 2 0 92912.11 82400.97 801.67 o 1 2 0 1377.66 1431.64 66.82 o 2 2 0 29446.81 28230.95 2163.36 o 3 2 0 54673.57 55051.34 6027.23 o 4 2 0 20185.16 18520.59 1744.17 o 5 2 0 575.90 646.23 102.46 o 6 2 0 23449.06 25742.19 3076.82 o 7 2 0 5261.05 6003.25 778.63 o 8 2 0 13204.96 15244.92 1893.42 o 9 2 0 22040.28 26766.04 3281.31 o 10 2 0 12525.03 15046.39 2326.24 o 11 2 0 5689.78 6427.30 1311.15 o 12 2 0 1159.55 1178.21 416.08 o 13 2 0 14621.57 13506.63 2638.92 o 14 2 0 7591.32 4795.04 997.09 o 1 3 0 185014.55 158469.81 1310.72 o 2 3 0 84621.53 67916.87 2239.41 o 3 3 0 114747.70 98435.35 6877.72 o 4 3 0 53206.70 55209.70 5818.14 o 5 3 0 4974.34 5179.83 494.95 o 6 3 0 43.07 238.01 83.68 o 7 3 0 80314.98 71999.40 7940.61 o 8 3 0 29495.33 28577.76 2997.00 o 9 3 0 35606.21 30978.79 3950.67 o 10 3 0 10808.31 10487.83 1886.23 o 11 3 0 11156.40 12148.16 2392.81 o 12 3 0 1168.79 1296.20 356.32 o 13 3 0 12270.91 11012.88 2743.71 o 14 3 0 12484.84 11113.22 2222.81 o 0 4 0 46352.06 35489.35 618.34 o 1 4 0 5953.78 4424.56 330.67 o 2 4 0 10327.46 9453.58 160.25 o 3 4 0 102.75 81.87 52.17 o 4 4 0 11192.14 9556.52 566.60 o 5 4 0 45104.63 40324.64 2154.62 o 6 4 0 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