#------------------------------------------------------------------------------ #$Date: 2018-12-07 05:35:19 +0200 (Fri, 07 Dec 2018) $ #$Revision: 212434 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108332.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_2108332 _cell_angle_alpha 90.000 _cell_angle_beta 90.007 _cell_angle_gamma 90.000 _cell_length_a 14.3328 _cell_length_b 9.1209 _cell_length_c 10.3732 _exptl_crystal_F_000 852.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file lo5030Isup2.hkl _cod_data_source_block I _shelx_title ' madonna_a.res in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 276.06 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, 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 1 -11 0 11.33 -53.55 65.23 o 2 -11 0 2.70 -67.39 81.78 o 3 -11 0 11.60 -47.03 100.82 o 4 -11 0 0.38 -35.98 79.35 o 0 -10 0 435.96 349.86 66.07 o 1 -10 0 363.61 111.67 64.22 o 2 -10 0 1672.94 1537.67 86.36 o 3 -10 0 296.01 110.05 50.62 o 4 -10 0 25.67 -51.11 71.73 o 5 -10 0 9.44 -57.77 91.29 o 6 -10 0 62.54 -31.95 68.66 o 7 -10 0 129.09 5.93 58.45 o 8 -10 0 480.23 435.09 104.07 o 1 -9 0 22.70 5.85 57.45 o 2 -9 0 50.54 17.87 55.29 o 3 -9 0 94.69 -34.75 42.06 o 4 -9 0 1.82 -49.93 49.93 o 5 -9 0 36.98 -44.82 73.62 o 6 -9 0 84.55 80.09 48.48 o 7 -9 0 42.74 -59.33 59.33 o 8 -9 0 370.71 294.65 64.78 o 9 -9 0 35.02 -29.57 95.40 o 10 -9 0 307.93 354.67 70.76 o 0 -8 0 1740.84 1803.78 89.69 o 1 -8 0 70.08 30.55 37.03 o 2 -8 0 166.13 110.60 38.90 o 3 -8 0 586.53 849.76 53.15 o 4 -8 0 242.09 263.12 40.20 o 5 -8 0 22.48 -32.81 40.22 o 6 -8 0 952.23 847.32 58.02 o 7 -8 0 575.06 652.80 55.47 o 8 -8 0 1954.91 1912.84 99.46 o 9 -8 0 56.26 -43.12 56.22 o 10 -8 0 4959.89 4495.18 221.35 o 11 -8 0 234.80 163.61 101.86 o 12 -8 0 123.19 64.51 106.22 o 1 -7 0 21.37 32.46 31.96 o 2 -7 0 39.46 32.89 34.95 o 3 -7 0 25.06 31.66 33.17 o 4 -7 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