#------------------------------------------------------------------------------ #$Date: 2021-05-26 08:02:04 +0300 (Wed, 26 May 2021) $ #$Revision: 265498 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108820.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_2108820 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 5.9414 _cell_length_b 13.3810 _cell_length_c 31.6620 _exptl_crystal_F_000 1024.00 _reflns_d_resolution_high 0.8540 _cod_data_source_file eb50680minUV_1GPasup17.hkl _cod_data_source_block 0minUV_1GPa _shelx_title ' 0minuv.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 97.29 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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 0 159.61 156.58 11.79 o 4 0 0 681.28 669.75 35.16 o 6 0 0 106.88 92.96 58.27 o 2 1 0 1719.32 1759.90 35.11 o 3 1 0 1344.30 1293.78 24.41 o 4 1 0 3.37 -6.25 7.71 o 5 1 0 409.46 391.09 33.75 o 6 1 0 47.37 5.44 27.44 o 2 2 0 135.57 135.92 9.01 o 3 2 0 5480.42 5460.59 51.14 o 4 2 0 251.16 272.73 21.83 o 5 2 0 0.08 -14.09 14.09 o 6 2 0 55.60 43.45 20.87 o 1 3 0 1743.69 1669.32 51.91 o 2 3 0 74.12 76.93 7.60 o 3 3 0 37.95 40.09 8.51 o 4 3 0 49.75 37.45 11.78 o 5 3 0 34.96 14.39 14.51 o 6 3 0 20.07 46.67 20.85 o 1 4 0 566.54 522.49 20.37 o 2 4 0 75.43 71.97 8.02 o 3 4 0 1397.09 1325.92 34.75 o 4 4 0 9.10 -11.25 11.25 o 5 4 0 0.02 10.29 15.59 o 6 4 0 4.17 7.54 23.37 o 1 5 0 277.72 295.65 17.28 o 2 5 0 1062.64 1110.22 32.16 o 3 5 0 164.76 180.66 14.70 o 4 5 0 360.88 347.02 21.87 o 5 5 0 56.68 103.16 22.64 o 6 5 0 0.02 -21.50 21.50 o 1 6 0 211.30 244.90 22.56 o 2 6 0 5.22 -0.23 7.61 o 3 6 0 488.56 515.31 29.20 o 4 6 0 69.66 74.32 23.45 o 5 6 0 10.95 8.08 16.50 o 6 6 0 0.95 -11.17 23.82 o 1 7 0 4.29 1.17 11.51 o 2 7 0 120.65 125.47 16.57 o 3 7 0 0.21 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463.63 425.80 18.10 o 3 5 2 1174.87 1209.36 34.30 o 4 5 2 243.95 240.43 20.44 o 5 5 2 121.48 117.51 22.03 o 6 5 2 38.65 12.75 20.73 o -6 6 2 52.24 18.41 26.23 o -5 6 2 68.62 78.18 26.03 o -4 6 2 51.53 78.61 22.69 o -3 6 2 856.68 849.57 38.98 o -2 6 2 44.28 21.17 13.26 o -1 6 2 2155.96 2211.93 108.71 o 0 6 2 1821.91 1827.35 65.41 o 1 6 2 2154.61 2234.92 110.87 o 2 6 2 44.06 26.78 11.78 o 3 6 2 856.10 897.06 33.80 o 4 6 2 51.54 52.96 12.71 o 5 6 2 68.68 127.59 30.10 o 6 6 2 52.18 128.30 37.00 o -5 7 2 89.30 143.49 37.37 o -4 7 2 127.96 137.14 25.73 o -3 7 2 100.92 131.96 24.41 o -2 7 2 36.31 27.26 16.42 o -1 7 2 653.15 638.93 45.28 o 0 7 2 43.25 45.22 21.56 o 1 7 2 652.86 658.32 38.75 o 2 7 2 36.32 16.51 12.20 o 3 7 2 100.88 129.02 23.16 o 4 7 2 127.97 144.72 25.60 o 5 7 2 89.32 77.08 40.88 o -5 8 2 5.30 44.75 39.73 o -4 8 2 788.44 896.74 76.31 o -3 8 2 797.27 1046.76 74.88 o -2 8 2 59.05 59.37 28.69 o -1 8 2 53.83 72.93 30.43 o 0 8 2 548.85 611.84 63.56 o 1 8 2 53.68 32.71 16.07 o 2 8 2 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