#------------------------------------------------------------------------------ #$Date: 2017-03-15 09:03:47 +0200 (Wed, 15 Mar 2017) $ #$Revision: 194251 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108032.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_2108032 _cell_angle_alpha 90.000 _cell_angle_beta 97.626 _cell_angle_gamma 90.000 _cell_length_a 10.6026 _cell_length_b 16.3599 _cell_length_c 30.6792 _exptl_crystal_F_000 2968.00 _reflns_d_resolution_high 0.7947 _cod_data_source_file xm50051csup4.hkl _cod_data_source_block 1c _shelx_title ' db128_4a in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 908.37 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 236216.41 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1501.72 o 4 4 0 71399.05 84926.75 2776.95 o 6 4 0 13681.90 8129.63 431.13 o 10 4 0 19568.38 13667.24 1418.66 o 12 4 0 2380.67 7047.81 892.25 o 1 5 0 22027.32 27769.29 1233.05 o 3 5 0 6318.71 6799.19 334.74 o 5 5 0 15827.24 17455.46 675.59 o 7 5 0 3432.85 2586.33 408.10 o 11 5 0 996.84 1918.14 653.25 o 0 6 0 40497.18 49929.04 2145.83 o 2 6 0 161230.78 198119.92 5913.61 o 4 6 0 15450.60 13746.86 532.65 o 4 6 1 12899.13 27829.07 2163.80 o 4 6 0 11334.92 27829.07 2163.80 o 6 6 0 35773.70 32703.74 1186.74 o 8 6 0 7784.03 5710.16 462.25 o 10 6 0 7741.28 6291.32 754.02 o 12 6 0 903.88 405.36 691.25 o 1 7 0 10238.72 14284.09 489.93 o 5 7 0 197.27 505.10 233.69 o 7 7 0 2423.17 2960.59 407.41 o 9 7 0 1970.97 5685.81 739.65 o 11 7 0 87.35 515.23 641.25 o 0 8 0 29970.89 38085.32 1454.21 o 2 8 0 4476.81 15276.65 923.33 o 4 8 0 41481.64 49222.36 1865.77 o 6 8 0 489.19 690.83 297.47 o 8 8 0 78.64 4482.56 620.67 o 10 8 0 941.76 1631.36 543.16 o 12 8 0 34.48 2422.28 747.09 o 1 9 0 67050.91 93260.02 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