#------------------------------------------------------------------------------ #$Date: 2016-12-23 04:14:52 +0200 (Fri, 23 Dec 2016) $ #$Revision: 189330 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/19/2241992.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_2241992 _cell_angle_alpha 90.000 _cell_angle_beta 95.216 _cell_angle_gamma 90.000 _cell_length_a 6.2927 _cell_length_b 17.9903 _cell_length_c 7.2991 _exptl_crystal_F_000 332.00 _reflns_d_resolution_high 0.8088 _cod_data_source_file rz5201Isup2.hkl _cod_data_source_block I _shelx_title ' cu_V_Shapiro_GV_64_0m in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 78.34 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 -21 0 13.91 14.87 1.50 o 2 -21 0 32.46 37.22 1.25 o 0 -20 0 21.85 25.87 1.75 o 1 -20 0 16.35 16.87 0.88 o 2 -20 0 2.61 2.98 0.94 o 3 -20 0 11.05 13.12 0.96 o 1 -19 0 8.61 7.84 0.77 o 2 -19 0 1.54 1.46 0.40 o 3 -19 0 6.55 7.33 0.40 o 4 -19 0 10.58 11.57 0.40 o 0 -18 0 9.42 12.45 1.04 o 1 -18 0 52.28 49.67 1.32 o 2 -18 0 4.35 5.86 0.38 o 3 -18 0 4.52 4.02 0.27 o 4 -18 0 7.06 7.02 0.37 o 1 -17 0 22.30 26.93 2.69 o 2 -17 0 35.30 37.69 0.97 o 3 -17 0 3.13 3.21 0.26 o 4 -17 0 1.85 2.01 0.22 o 0 -16 0 31.84 39.62 1.42 o 1 -16 0 55.07 53.87 1.73 o 2 -16 0 167.19 159.79 2.22 o 3 -16 0 32.80 30.96 1.31 o 4 -16 0 1.86 1.66 0.23 o 5 -16 0 4.43 4.57 0.33 o 1 -15 0 0.22 0.58 0.42 o 2 -15 0 20.02 18.49 0.63 o 3 -15 0 63.40 61.36 1.65 o 4 -15 0 19.96 20.03 0.52 o 5 -15 0 1.37 1.16 0.30 o 0 -14 0 15.20 19.03 0.67 o 1 -14 0 1.93 2.16 0.30 o 2 -14 0 33.90 32.99 0.92 o 3 -14 0 77.22 78.07 1.21 o 4 -14 0 42.47 42.82 0.75 o 5 -14 0 13.57 13.28 0.52 o 6 -14 0 3.71 4.98 0.40 o 1 -13 0 135.53 132.62 2.07 o 2 -13 0 316.87 311.63 3.53 o 3 -13 0 48.91 49.48 0.80 o 4 -13 0 4.72 4.62 0.28 o 5 -13 0 8.52 9.50 0.38 o 6 -13 0 8.58 9.65 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658.84 625.91 31.53 o 2 9 0 200.69 193.70 1.97 o 3 9 0 12.33 12.96 0.38 o 4 9 0 29.15 29.02 0.52 o 5 9 0 22.38 20.10 0.42 o 6 9 0 9.77 9.04 0.31 o 7 9 0 8.48 9.49 0.30 o 0 10 0 166.77 169.51 5.26 o 1 10 0 46.91 40.36 0.73 o 2 10 0 59.17 57.57 0.59 o 3 10 0 34.53 35.43 0.46 o 4 10 0 68.75 61.86 0.73 o 5 10 0 11.43 11.51 0.36 o 6 10 0 36.71 36.55 0.51 o 1 11 0 14.59 17.00 0.36 o 2 11 0 4.34 3.84 0.20 o 3 11 0 78.74 78.94 0.73 o 4 11 0 104.62 102.15 1.12 o 5 11 0 17.90 18.94 0.43 o 6 11 0 6.34 6.73 0.33 o 0 12 0 371.53 385.02 3.83 o 1 12 0 0.67 0.80 0.16 o 2 12 0 256.33 248.01 1.70 o 3 12 0 299.48 304.88 2.93 o 4 12 0 85.84 86.39 0.97 o 5 12 0 1.62 1.98 0.22 o 6 12 0 0.69 1.00 0.16 o 1 13 0 136.35 133.98 1.09 o 2 13 0 317.15 313.18 2.32 o 3 13 0 48.38 50.06 0.61 o 4 13 0 4.72 3.92 0.24 o 5 13 0 8.44 8.94 0.33 o 6 13 0 8.46 9.63 0.30 o 0 14 0 15.22 18.67 0.61 o 1 14 0 1.95 1.89 0.19 o 2 14 0 33.90 34.53 0.63 o 3 14 0 76.42 77.96 0.80 o 4 14 0 42.69 44.23 0.67 o 5 14 0 13.34 13.59 0.37 o 6 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