#------------------------------------------------------------------------------ #$Date: 2021-05-26 08:02:04 +0300 (Wed, 26 May 2021) $ #$Revision: 265498 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108827.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_2108827 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 5.9870 _cell_length_b 13.2570 _cell_length_c 31.8400 _exptl_crystal_F_000 1024.00 _reflns_d_resolution_high 0.8500 _cod_data_source_file eb50681120minUV_1GPasup24.hkl _cod_data_source_block 1120minUV_1GPa _shelx_title ' 1120minuv.res' _shelx_refln_list_code 4 _shelx_f_calc_maximum 88.04 _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 0 180.85 187.59 21.17 o 4 0 0 795.61 926.56 69.59 o 2 1 0 955.32 881.03 47.70 o 3 1 0 1128.41 959.71 35.18 o 4 1 0 4.54 -12.92 12.92 o 5 1 0 139.53 106.50 38.61 o 2 2 0 844.62 971.95 41.04 o 3 2 0 4180.56 4247.68 75.64 o 4 2 0 231.09 243.89 38.96 o 5 2 0 8.88 -6.04 24.44 o 6 2 0 26.99 -9.89 36.59 o 1 3 0 2360.01 2204.47 90.29 o 2 3 0 84.76 109.89 15.54 o 3 3 0 82.72 118.46 20.52 o 4 3 0 23.40 45.70 22.98 o 5 3 0 3.14 11.07 23.35 o 6 3 0 1.01 16.95 31.90 o 0 4 0 121.06 148.33 24.87 o 1 4 0 822.19 1069.23 37.04 o 2 4 0 0.69 4.46 8.39 o 3 4 0 1017.06 991.28 54.63 o 4 4 0 4.10 29.14 24.76 o 5 4 0 2.69 -30.15 30.15 o 6 4 0 8.14 43.52 32.37 o 1 5 0 289.67 259.01 20.31 o 2 5 0 329.96 338.71 30.22 o 3 5 0 3.02 16.44 16.80 o 4 5 0 82.53 65.93 19.25 o 5 5 0 5.18 44.15 34.62 o 6 5 0 1.00 -53.26 53.26 o 0 6 0 1203.96 1701.36 146.13 o 1 6 0 34.69 40.98 14.89 o 2 6 0 13.79 30.93 12.29 o 3 6 0 226.92 286.95 33.93 o 4 6 0 44.44 6.63 19.16 o 5 6 0 0.02 -18.90 32.39 o 6 6 0 0.83 -35.79 35.79 o 1 7 0 44.40 123.84 28.06 o 2 7 0 71.17 68.73 17.44 o 3 7 0 0.41 23.81 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