#------------------------------------------------------------------------------ #$Date: 2016-09-28 04:57:09 +0300 (Wed, 28 Sep 2016) $ #$Revision: 186808 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/42/1544218.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_1544218 _cell_angle_alpha 107.369 _cell_angle_beta 95.857 _cell_angle_gamma 107.938 _cell_length_a 9.4212 _cell_length_b 12.0620 _cell_length_c 16.1160 _exptl_crystal_F_000 666.00 _reflns_d_resolution_high 0.8311 _cod_data_source_file wm4027Isup2.hkl _cod_data_source_block I _shelx_title ' 120114c_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 154.42 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 9791.23 10769.46 226.02 o 3 0 0 359.90 384.06 11.14 o 4 0 0 159.24 163.22 8.44 o 5 0 0 345.28 403.66 13.96 o 6 0 0 102.78 105.16 8.56 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o -5 10 0 24.46 48.77 11.97 o -4 10 0 4.83 24.29 10.99 o -3 10 0 92.77 124.10 20.29 o -2 10 0 1176.74 1242.31 41.91 o -1 10 0 1922.74 2007.67 58.60 o 0 10 0 1119.10 1138.75 55.62 o 1 10 0 126.05 164.96 25.07 o 2 10 0 538.34 411.33 34.62 o 3 10 0 123.25 105.52 23.87 o 4 10 0 17.60 48.70 21.49 o -9 11 0 190.92 212.47 33.90 o -8 11 0 357.93 344.97 38.20 o -7 11 0 5.72 18.14 21.49 o -6 11 0 28.94 34.62 22.44 o -5 11 0 23.09 62.40 13.55 o -4 11 0 0.17 9.30 11.11 o -3 11 0 126.48 99.12 14.91 o -2 11 0 64.12 80.10 23.40 o -1 11 0 92.40 110.01 16.28 o 0 11 0 0.19 -5.73 15.99 o 1 11 0 19.15 14.32 17.19 o 2 11 0 39.02 48.94 20.29 o 3 11 0 98.25 104.80 25.54 o -8 12 0 74.93 50.13 26.02 o -7 12 0 152.19 187.88 31.27 o -6 12 0 752.92 730.04 53.48 o -5 12 0 856.99 986.47 39.07 o -4 12 0 506.86 535.08 55.39 o -3 12 0 395.50 443.69 29.60 o -2 12 0 475.85 474.93 28.36 o -1 12 0 83.13 72.34 20.77 o 0 12 0 6.49 10.50 16.95 o 1 12 0 194.33 197.67 30.56 o -7 13 0 109.24 129.63 31.03 o -6 13 0 93.38 81.41 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