#------------------------------------------------------------------------------ #$Date: 2023-08-24 04:45:48 +0300 (Thu, 24 Aug 2023) $ #$Revision: 285858 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/28/2022846.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_2022846 _cell_angle_alpha 94.088 _cell_angle_beta 105.954 _cell_angle_gamma 107.393 _cell_length_a 8.9714 _cell_length_b 9.3564 _cell_length_c 10.4969 _exptl_crystal_F_000 352.00 _reflns_d_resolution_high 0.5393 _cod_data_source_file yz2038Isup2.hkl _cod_data_source_block I _shelx_title ' elg_ha3 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 140.01 _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 0 778.64 835.12 5.20 o 2 0 0 391.74 368.59 2.49 o 3 0 0 143.76 162.53 1.06 o 4 0 0 763.73 779.37 5.39 o 5 0 0 48.50 37.72 0.40 o 6 0 0 106.26 111.48 1.00 o 7 0 0 51.59 48.31 0.58 o 8 0 0 155.94 157.12 1.53 o 9 0 0 23.88 23.25 0.51 o 10 0 0 1.62 1.19 0.29 o 11 0 0 327.87 330.22 3.28 o 12 0 0 15.43 15.53 0.66 o 13 0 0 0.87 0.51 0.53 o 14 0 0 0.20 0.78 0.85 o -15 1 0 22.12 21.55 1.12 o -14 1 0 120.51 129.67 2.17 o -13 1 0 0.01 -0.09 0.47 o -12 1 0 5.94 5.60 0.41 o -11 1 0 43.72 41.95 0.78 o -10 1 0 182.87 179.71 1.84 o -9 1 0 118.01 115.52 1.23 o -8 1 0 125.12 126.96 1.23 o -7 1 0 102.20 104.28 0.97 o -6 1 0 78.84 69.39 0.65 o -5 1 0 387.24 434.17 3.07 o -4 1 0 0.76 1.14 0.09 o -3 1 0 732.06 794.84 5.09 o -2 1 0 7142.67 7722.77 53.76 o -1 1 0 59.72 64.04 0.51 o 0 1 0 1158.94 1206.79 9.19 o 1 1 0 2778.21 2867.19 18.99 o 2 1 0 115.36 94.71 0.63 o 3 1 0 3.33 3.27 0.09 o 4 1 0 594.69 594.81 4.04 o 5 1 0 0.11 0.27 0.10 o 6 1 0 153.98 146.08 1.29 o 7 1 0 97.36 87.59 1.03 o 8 1 0 121.14 124.12 1.38 o 9 1 0 65.21 67.25 0.92 o 10 1 0 140.36 145.53 1.65 o 11 1 0 87.12 89.72 1.42 o 12 1 0 33.04 31.97 0.87 o 13 1 0 25.74 26.22 1.04 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7 0 248.32 251.61 2.69 o -6 7 0 1279.57 1286.53 14.13 o -5 7 0 210.95 230.35 2.25 o -4 7 0 490.34 490.34 4.78 o -3 7 0 36.34 41.49 0.62 o -2 7 0 370.32 392.63 3.86 o -1 7 0 7.89 7.98 0.30 o 0 7 0 526.21 506.69 4.38 o 1 7 0 256.61 259.55 2.58 o 2 7 0 370.40 381.87 3.53 o 3 7 0 455.79 433.29 4.35 o 4 7 0 31.45 25.31 0.54 o 5 7 0 141.88 140.93 1.74 o 6 7 0 0.72 0.35 0.29 o 7 7 0 233.36 236.06 2.59 o 8 7 0 38.23 38.06 0.93 o 9 7 0 112.73 115.85 1.98 o 10 7 0 4.92 4.68 0.66 o 11 7 0 92.12 95.72 2.24 o -15 8 0 1.69 2.67 0.66 o -14 8 0 24.77 24.11 0.75 o -13 8 0 9.77 10.83 0.54 o -12 8 0 6.07 5.46 0.48 o -11 8 0 13.73 15.09 0.63 o -10 8 0 5.31 6.48 0.40 o -9 8 0 176.81 171.29 2.14 o -8 8 0 51.69 52.88 1.37 o -7 8 0 159.14 169.13 1.98 o -6 8 0 107.45 106.42 1.19 o -5 8 0 851.40 855.08 8.55 o -4 8 0 223.77 228.23 2.43 o -3 8 0 0.04 0.12 0.18 o -2 8 0 96.11 98.52 1.25 o -1 8 0 107.07 108.97 1.40 o 0 8 0 12.10 18.15 0.39 o 1 8 0 150.35 142.85 1.67 o 2 8 0 750.56 781.73 7.91 o 3 8 0 86.99 83.20 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