#------------------------------------------------------------------------------ #$Date: 2019-12-27 22:23:32 +0200 (Fri, 27 Dec 2019) $ #$Revision: 246250 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/20/2312021.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_2312021 _cell_angle_alpha 90.000 _cell_angle_beta 96.746 _cell_angle_gamma 90.000 _cell_length_a 5.9500 _cell_length_b 6.7650 _cell_length_c 8.4363 _exptl_crystal_F_000 140.00 _reflns_d_resolution_high 0.8404 _cod_data_source_file hb7692Isup2.hkl _cod_data_source_block I _shelx_title ' cu_alamm1_0m in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 60.30 _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 0 794.34 697.22 14.44 o 2 0 0 2.27 2.87 0.17 o 3 0 0 302.56 320.03 6.01 o 4 0 0 10.65 11.22 0.67 o 5 0 0 0.37 0.25 0.20 o 6 0 0 3.43 2.95 0.52 o 7 0 0 16.17 16.41 1.01 o 1 1 0 14.53 13.92 0.28 o 2 1 0 232.83 251.20 4.07 o 3 1 0 3.79 4.73 0.20 o 4 1 0 9.53 9.03 0.35 o 5 1 0 12.04 12.19 0.44 o 6 1 0 19.56 20.24 0.54 o 0 2 0 2770.16 2521.17 64.69 o 1 2 0 102.04 96.92 2.21 o 2 2 0 0.22 0.33 0.06 o 3 2 0 59.16 60.70 1.42 o 4 2 0 3.09 3.19 0.31 o 5 2 0 0.06 -0.07 0.15 o 6 2 0 3.82 4.90 0.33 o 1 3 0 5.49 6.25 0.31 o 2 3 0 358.75 369.47 7.03 o 3 3 0 7.26 7.94 0.43 o 4 3 0 24.68 22.43 0.64 o 5 3 0 26.31 27.56 0.73 o 6 3 0 39.87 45.46 1.01 o 0 4 0 34.28 29.31 1.23 o 1 4 0 5.61 4.41 0.52 o 2 4 0 9.54 11.25 0.82 o 3 4 0 4.32 3.32 0.36 o 4 4 0 77.99 69.67 2.82 o 5 4 0 4.59 4.76 0.85 o 6 4 0 5.61 5.17 0.29 o 1 5 0 4.29 4.08 0.35 o 2 5 0 45.51 48.92 0.91 o 3 5 0 11.85 10.26 0.36 o 4 5 0 14.83 14.45 0.66 o 5 5 0 5.03 5.54 0.47 o 0 6 0 58.12 56.87 1.61 o 1 6 0 0.21 0.17 0.19 o 2 6 0 27.67 28.72 1.08 o 3 6 0 4.94 5.62 0.30 o 4 6 0 44.75 42.02 1.23 o 1 7 0 2.15 2.03 0.19 o 2 7 0 0.01 0.13 0.10 o 3 7 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3 5 56.36 57.63 0.77 o 2 3 5 12.29 12.32 0.37 o 3 3 5 51.25 51.05 1.05 o 4 3 5 1.85 1.78 0.30 o 5 3 5 0.12 0.04 0.21 o -5 4 5 12.30 14.69 0.75 o -4 4 5 9.61 10.87 0.77 o -3 4 5 0.43 0.52 0.24 o -2 4 5 43.94 41.23 0.78 o -1 4 5 2.08 2.22 0.28 o 0 4 5 23.01 23.03 0.44 o 1 4 5 16.28 15.56 0.39 o 2 4 5 0.65 0.80 0.20 o 3 4 5 7.01 7.60 0.59 o 4 4 5 52.86 52.06 0.93 o -4 5 5 12.08 9.77 0.47 o -3 5 5 2.69 2.84 0.29 o -2 5 5 61.52 61.66 1.09 o -1 5 5 6.19 6.43 0.36 o 0 5 5 5.71 5.95 0.24 o 1 5 5 125.33 127.43 1.57 o 2 5 5 126.45 133.52 1.99 o 3 5 5 14.59 15.30 0.48 o -3 6 5 2.32 2.36 0.21 o -2 6 5 12.21 11.59 0.51 o -1 6 5 3.50 2.64 0.21 o 0 6 5 17.34 19.52 0.42 o 1 6 5 0.12 0.13 0.10 o 2 6 5 3.11 3.80 0.26 o -6 0 6 35.73 34.92 1.20 o -5 0 6 94.09 95.26 2.69 o -4 0 6 53.62 53.47 1.34 o -3 0 6 0.06 0.02 0.15 o -2 0 6 33.51 31.02 0.67 o -1 0 6 50.00 53.56 1.08 o 0 0 6 58.73 60.08 1.38 o 1 0 6 40.51 35.80 0.95 o 2 0 6 115.30 105.62 3.70 o 3 0 6 200.00 173.83 4.34 o 4 0 6 4.41 6.06 0.86 o 5 0 6 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