#------------------------------------------------------------------------------ #$Date: 2017-03-02 07:39:46 +0200 (Thu, 02 Mar 2017) $ #$Revision: 192759 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/20/2242047.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_2242047 _cell_angle_alpha 90.000 _cell_angle_beta 90.975 _cell_angle_gamma 90.000 _cell_length_a 8.8779 _cell_length_b 10.4042 _cell_length_c 29.6987 _exptl_crystal_F_000 1384.00 _reflns_d_resolution_high 0.7469 _cod_data_source_file su53522sup3.hkl _cod_data_source_block 2 _shelx_title ' MJF277_0m in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 450.83 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 578.23 449.35 52.99 o 2 0 0 168585.75 171860.70 2818.49 o 3 0 0 3351.10 3314.42 63.59 o 4 0 0 203250.11 205992.22 2763.80 o 5 0 0 339.82 262.28 27.58 o 6 0 0 51858.99 50152.25 777.17 o 7 0 0 2169.00 1924.78 88.19 o 8 0 0 25968.32 25767.34 700.92 o 9 0 0 5108.58 5008.14 222.93 o 10 0 0 9206.17 9150.33 341.00 o 11 0 0 6329.04 6238.54 282.89 o 1 1 0 7741.25 8071.54 103.39 o 2 1 0 2558.81 2907.84 54.00 o 3 1 0 18720.12 20884.06 220.39 o 4 1 0 1221.75 1230.84 38.86 o 5 1 0 27.79 39.83 22.67 o 6 1 0 2227.47 2169.66 50.07 o 7 1 0 614.66 758.36 52.19 o 8 1 0 0.89 96.64 46.20 o 9 1 0 690.87 786.23 74.93 o 10 1 0 0.00 -58.00 58.00 o 11 1 0 201.50 337.98 78.74 o 0 2 0 1932.94 1807.19 53.46 o 1 2 0 2073.49 2069.86 41.64 o 2 2 0 6681.43 6738.22 90.76 o 3 2 0 3760.22 4325.35 76.64 o 4 2 0 284.42 285.05 21.30 o 5 2 0 192.27 177.14 20.86 o 6 2 0 457.77 385.18 43.94 o 7 2 0 452.36 488.88 33.69 o 8 2 0 62.25 102.88 41.26 o 9 2 0 1650.25 1772.56 98.64 o 10 2 0 314.74 209.36 169.79 o 11 2 0 3.83 -28.52 81.07 o 1 3 0 4909.69 5269.88 74.16 o 2 3 0 3577.13 3732.59 51.06 o 3 3 0 540.23 612.10 27.90 o 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