#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:28:25 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199125 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/21/2242150.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_2242150 _cell_angle_alpha 90.000 _cell_angle_beta 102.778 _cell_angle_gamma 90.000 _cell_length_a 10.5351 _cell_length_b 19.1686 _cell_length_c 22.1162 _exptl_crystal_F_000 1696.00 _reflns_d_resolution_high 0.8402 _cod_data_source_file hb7679Isup2.hkl _cod_data_source_block I _shelx_title ' p09108r in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 552.61 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 2 0 0 72871.21 67497.95 656.76 o 4 0 0 31388.10 32839.33 384.23 o 6 0 0 594.74 941.05 109.24 o 8 0 0 923.66 935.67 124.46 o 10 0 0 314.80 329.50 83.27 o 12 0 0 57.66 155.80 69.84 o 2 1 0 456.34 420.92 31.19 o 3 1 0 729.60 684.93 37.99 o 4 1 0 659.60 718.76 46.24 o 5 1 0 48.17 28.04 17.36 o 6 1 0 9.84 11.26 13.19 o 7 1 0 190.18 180.89 29.68 o 8 1 0 490.66 494.20 52.41 o 9 1 0 1395.84 1375.91 112.56 o 10 1 0 281.02 285.85 56.01 o 11 1 0 87.69 178.29 46.47 o 12 1 0 2.59 -8.24 52.83 o 1 2 0 382.86 332.19 25.97 o 2 2 0 2016.00 1831.95 77.90 o 3 2 0 579.54 560.66 34.28 o 4 2 0 9955.70 11035.05 172.01 o 5 2 0 21.49 30.04 10.81 o 6 2 0 2343.80 2497.69 105.75 o 7 2 0 480.33 470.06 39.61 o 8 2 0 300.84 325.79 38.31 o 9 2 0 972.27 944.45 93.06 o 10 2 0 616.93 598.11 113.71 o 11 2 0 952.51 757.30 93.31 o 12 2 0 54.14 -11.67 24.18 o 1 3 0 13818.05 12492.30 136.82 o 3 3 0 302.89 287.07 28.30 o 4 3 0 5592.19 5805.98 123.71 o 5 3 0 2580.00 2870.76 81.59 o 6 3 0 7460.67 7996.87 143.60 o 7 3 0 101.26 82.58 17.84 o 8 3 0 110.18 86.05 23.52 o 9 3 0 6.30 30.87 21.26 o 10 3 0 2.29 0.00 27.76 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17 0 383.59 375.68 46.32 o 2 17 0 42.08 38.86 19.21 o 3 17 0 1786.23 1821.50 101.01 o 4 17 0 785.86 792.13 83.30 o 5 17 0 1126.17 1323.37 186.24 o 6 17 0 18.89 43.67 28.47 o 7 17 0 25.82 -34.28 34.28 o 8 17 0 104.67 234.83 59.23 o 0 18 0 3342.59 3660.32 267.72 o 1 18 0 0.15 -37.16 37.16 o 2 18 0 303.74 307.67 43.48 o 3 18 0 502.56 529.30 56.86 o 4 18 0 826.79 910.60 154.01 o 5 18 0 605.34 659.00 139.68 o 6 18 0 183.20 223.18 56.06 o 7 18 0 0.00 39.40 119.09 o 1 19 0 139.77 120.10 43.02 o 2 19 0 57.33 14.05 34.47 o 3 19 0 45.53 23.75 42.08 o 4 19 0 4.34 -5.37 45.66 o 5 19 0 178.64 214.89 81.48 o 6 19 0 61.58 114.99 42.95 o 0 20 0 153.67 162.06 65.36 o 1 20 0 7.33 -44.23 65.81 o 2 20 0 7.07 7.90 50.14 o 3 20 0 99.88 152.34 42.98 o 4 20 0 161.80 214.89 86.85 o 5 20 0 243.94 235.49 86.85 o 1 21 0 223.63 199.56 52.27 o 2 21 0 498.02 438.99 74.04 o 3 21 0 31.98 7.95 22.50 o 4 21 0 11.58 31.34 49.25 o 0 22 0 22.47 35.82 49.25 o 1 22 0 23.22 34.29 59.99 o 2 22 0 21.14 7.55 30.08 o 3 22 0 55.43 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