#------------------------------------------------------------------------------ #$Date: 2016-04-28 04:39:44 +0300 (Thu, 28 Apr 2016) $ #$Revision: 182295 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/16/2241655.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_2241655 _cell_angle_alpha 78.333 _cell_angle_beta 81.162 _cell_angle_gamma 74.179 _cell_length_a 11.0909 _cell_length_b 12.9169 _cell_length_c 13.7931 _exptl_crystal_F_000 856.00 _reflns_d_resolution_high 0.8305 _cod_data_source_file wm5285Isup2.hkl _cod_data_source_block I _shelx_title ' SIR2004 run in space group P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 325.97 _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 0 728.49 653.24 7.41 o 3 0 0 2654.48 2754.71 20.29 o 4 0 0 113.88 111.25 5.35 o 5 0 0 4630.96 4794.55 32.13 o 6 0 0 486.29 525.49 11.89 o 7 0 0 301.06 296.79 10.52 o 8 0 0 2337.01 2337.81 28.02 o 9 0 0 913.95 941.34 22.06 o 10 0 0 40.97 18.53 10.81 o 11 0 0 6.38 -5.53 12.23 o 12 0 0 189.31 184.46 22.60 o -12 1 0 251.58 246.77 19.36 o -11 1 0 389.64 378.08 19.56 o -10 1 0 398.32 373.13 18.63 o -9 1 0 465.27 504.46 19.85 o -8 1 0 108.35 124.49 11.53 o -7 1 0 69.76 80.22 8.33 o -6 1 0 266.03 243.69 8.53 o -5 1 0 1031.78 898.27 14.73 o -4 1 0 8672.19 8732.89 46.36 o -3 1 0 765.11 805.76 11.96 o -2 1 0 3654.37 3561.80 23.79 o -1 1 0 2497.52 2356.97 14.36 o 2 1 0 454.80 425.01 5.11 o 3 1 0 877.17 786.90 8.83 o 4 1 0 602.60 509.54 9.25 o 5 1 0 2050.72 2003.59 17.96 o 6 1 0 1233.04 1295.98 15.80 o 7 1 0 114.51 131.36 7.55 o 8 1 0 679.49 638.00 14.82 o 9 1 0 19.94 26.79 8.89 o 10 1 0 89.37 104.70 9.93 o 11 1 0 224.14 255.15 15.24 o 12 1 0 684.08 726.21 36.11 o -12 2 0 363.77 383.99 26.62 o -11 2 0 832.13 770.72 29.71 o -10 2 0 288.08 299.04 17.96 o -9 2 0 36.42 53.36 11.41 o -8 2 0 825.27 846.24 21.56 o -7 2 0 5.21 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