#------------------------------------------------------------------------------ #$Date: 2020-05-16 08:16:32 +0300 (Sat, 16 May 2020) $ #$Revision: 252089 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108601.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_2108601 _cell_angle_alpha 115.071 _cell_angle_beta 102.612 _cell_angle_gamma 98.823 _cell_length_a 8.6020 _cell_length_b 10.0850 _cell_length_c 11.2090 _exptl_crystal_F_000 294.00 _reflns_d_resolution_high 0.6983 _cod_data_source_file ra5074IIsup3.hkl _cod_data_source_block II _shelx_title ' TIPS_ANT_2_3_24_merge' _shelx_refln_list_code 4 _shelx_f_calc_maximum 50.45 _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 0 878.25 635.77 15.01 o 3 0 0 1431.31 1143.19 34.89 o 4 0 0 73.85 126.29 1.47 o 5 0 0 18.16 20.40 0.35 o 6 0 0 9.95 7.79 0.14 o 7 0 0 12.00 13.52 0.29 o 8 0 0 42.48 49.57 0.64 o 9 0 0 9.92 10.93 0.19 o 10 0 0 2.01 3.63 0.10 o 11 0 0 1.34 0.55 0.07 o -11 1 0 2.40 2.52 0.12 o -10 1 0 0.34 0.25 0.05 o -9 1 0 50.96 53.09 0.57 o -8 1 0 7.81 8.51 0.22 o -7 1 0 7.67 11.53 0.18 o -6 1 0 1.25 0.68 0.05 o -5 1 0 74.35 77.28 1.95 o -4 1 0 507.57 452.41 12.64 o -3 1 0 90.49 90.09 0.81 o -1 1 0 646.84 465.47 12.45 o 0 1 0 196.78 194.49 3.94 o 1 1 0 515.58 496.00 17.06 o 2 1 0 3.43 7.54 0.21 o 3 1 0 267.24 300.23 2.58 o 4 1 0 425.42 400.76 3.93 o 5 1 0 209.79 204.26 1.81 o 6 1 0 0.44 0.08 0.03 o 7 1 0 70.71 72.13 0.76 o 8 1 0 10.67 11.51 0.19 o 9 1 0 12.97 13.73 0.22 o 10 1 0 28.79 31.10 0.38 o -11 2 0 0.70 0.90 0.08 o -10 2 0 26.35 24.31 0.34 o -9 2 0 0.13 0.14 0.04 o -8 2 0 3.07 5.15 0.13 o -7 2 0 19.46 23.63 0.29 o -6 2 0 19.81 23.59 0.31 o -5 2 0 410.86 394.88 3.55 o -4 2 0 1298.59 1049.36 11.51 o -3 2 0 399.66 402.81 4.19 o -2 2 0 596.46 534.81 4.72 o -1 2 0 1971.96 1365.48 61.65 o 0 2 0 536.58 471.99 5.80 o 1 2 0 10.89 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