#------------------------------------------------------------------------------ #$Date: 2021-07-21 08:24:53 +0300 (Wed, 21 Jul 2021) $ #$Revision: 267669 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243876.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_2243876 _cell_angle_alpha 103.078 _cell_angle_beta 104.013 _cell_angle_gamma 98.863 _cell_length_a 8.6219 _cell_length_b 10.8064 _cell_length_c 12.9992 _exptl_crystal_F_000 555.31 _reflns_d_resolution_high 0.6923 _cod_data_source_file hb7977Isup2.hkl _cod_data_source_block I _shelx_title ' ew1-37b_new_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 219.69 _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 1 0 0 3.45 4.82 1.36 o 2 0 0 690.94 665.41 10.77 o 3 0 0 2461.36 2386.11 38.30 o 4 0 0 3835.56 4061.07 67.98 o 5 0 0 958.73 998.10 18.47 o 6 0 0 482.55 494.32 18.96 o 7 0 0 2.85 -0.64 5.84 o 8 0 0 136.51 131.42 9.24 o 9 0 0 345.96 350.68 26.29 o 10 0 0 729.39 749.68 60.74 o -10 1 0 12.49 11.04 14.65 o -9 1 0 87.87 56.08 10.05 o -8 1 0 82.72 82.74 8.88 o -7 1 0 364.32 365.22 11.06 o -6 1 0 197.89 165.10 7.65 o -5 1 0 2372.98 2442.96 45.86 o -4 1 0 4037.69 4201.28 73.40 o -3 1 0 12.92 12.90 2.13 o -2 1 0 1166.12 1220.62 34.64 o 0 1 0 222.39 167.02 6.72 o 1 1 0 5141.85 5597.98 94.27 o 2 1 0 2951.78 3069.13 50.16 o 3 1 0 579.07 648.77 11.14 o 4 1 0 430.61 418.99 8.84 o 5 1 0 3267.25 3361.45 50.60 o 6 1 0 116.47 121.87 5.93 o 7 1 0 406.74 393.73 14.45 o 8 1 0 412.13 446.65 41.99 o 9 1 0 638.55 699.95 56.28 o 10 1 0 12.48 11.02 21.39 o -10 2 0 26.91 18.21 10.51 o -9 2 0 1047.92 1192.34 43.06 o -8 2 0 406.27 433.98 13.12 o -7 2 0 148.20 131.17 7.45 o -6 2 0 1455.12 1450.64 27.48 o -5 2 0 2200.83 2266.04 38.41 o -4 2 0 617.33 584.16 12.34 o -3 2 0 754.03 832.33 41.09 o -2 2 0 84.58 89.36 5.41 o -1 2 0 387.57 404.68 19.53 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