#------------------------------------------------------------------------------ #$Date: 2023-03-16 05:14:01 +0200 (Thu, 16 Mar 2023) $ #$Revision: 281909 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/27/2022706.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_2022706 _cell_angle_alpha 90.000 _cell_angle_beta 91.904 _cell_angle_gamma 90.000 _cell_length_a 6.5967 _cell_length_b 24.1942 _cell_length_c 9.1724 _exptl_crystal_F_000 992.00 _reflns_d_resolution_high 0.7800 _cod_data_source_file dv30212sup3.hkl _cod_data_source_block 2 _shelx_title ' mo_2020_03_20_JDM_MSKPSW_0m_a.res in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 473.68 _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 0 -30 0 1715.50 2247.72 159.01 o 1 -30 0 748.59 928.56 77.20 o 2 -30 0 16.68 9.93 52.21 o 1 -29 0 1169.15 1263.89 85.09 o 2 -29 0 915.12 885.91 79.60 o 0 -28 0 6990.86 9439.91 380.31 o 1 -28 0 533.18 623.05 65.45 o 2 -28 0 137.19 135.28 49.72 o 3 -28 0 53.68 92.37 49.47 o 1 -27 0 963.86 1287.45 84.82 o 2 -27 0 226.36 528.34 56.26 o 3 -27 0 1607.47 1567.81 85.08 o 4 -27 0 83.43 71.54 58.72 o 0 -26 0 289.10 588.12 116.28 o 1 -26 0 739.42 799.00 66.09 o 2 -26 0 4.61 -32.41 40.74 o 3 -26 0 1647.28 1997.68 120.76 o 4 -26 0 5636.33 6431.55 290.53 o 1 -25 0 34.17 65.81 42.00 o 2 -25 0 936.61 1333.90 76.76 o 3 -25 0 56.04 107.21 51.93 o 4 -25 0 77.98 42.72 50.76 o 5 -25 0 292.14 272.07 98.63 o 0 -24 0 640.57 871.66 85.78 o 1 -24 0 2547.60 2882.90 115.28 o 2 -24 0 80.81 43.63 55.63 o 3 -24 0 4420.85 4973.79 211.30 o 4 -24 0 25.98 3.50 46.43 o 5 -24 0 166.35 253.60 88.20 o 1 -23 0 3903.68 4539.99 156.55 o 2 -23 0 1964.85 2251.47 107.14 o 3 -23 0 4763.94 4709.57 206.10 o 4 -23 0 2.62 -42.31 42.31 o 5 -23 0 213.40 191.03 81.17 o 0 -22 0 111.85 114.31 53.86 o 1 -22 0 1680.30 1775.00 88.47 o 2 -22 0 75.96 22.28 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0 46.63 59.39 20.35 o 7 -5 0 25.77 4.86 23.78 o 8 -5 0 726.03 725.80 48.82 o 0 -4 0 9489.16 7431.33 306.31 o 1 -4 0 8254.74 7119.18 115.55 o 2 -4 0 81.82 109.51 8.96 o 3 -4 0 37306.90 31663.85 511.50 o 4 -4 0 5249.45 6185.77 107.24 o 5 -4 0 671.18 656.68 28.31 o 6 -4 0 39.62 67.71 21.16 o 7 -4 0 463.66 405.10 41.97 o 8 -4 0 31.43 74.95 31.75 o 1 -3 0 1594.52 1216.27 22.02 o 2 -3 0 50756.16 57405.37 894.53 o 3 -3 0 8528.22 7813.60 124.11 o 4 -3 0 471.12 537.78 22.26 o 5 -3 0 1057.28 1213.64 41.06 o 6 -3 0 406.88 443.24 31.47 o 7 -3 0 702.49 712.39 44.26 o 8 -3 0 335.98 379.46 39.35 o 1 -2 0 1542.01 1334.23 24.38 o 2 -2 0 385.74 413.73 12.66 o 3 -2 0 63.65 13.53 7.29 o 4 -2 0 34056.80 38829.70 590.89 o 5 -2 0 4220.52 4146.14 85.32 o 6 -2 0 3.00 -16.78 21.66 o 7 -2 0 5864.94 6235.24 174.19 o 8 -2 0 3076.79 3458.64 108.35 o 1 -1 0 3626.48 2759.41 44.74 o 2 -1 0 2916.86 3283.86 56.49 o 3 -1 0 1771.14 1506.40 30.52 o 4 -1 0 700.48 883.34 44.04 o 5 -1 0 8675.16 7931.96 144.52 o 6 -1 0 13.87 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