#------------------------------------------------------------------------------ #$Date: 2024-02-09 05:15:57 +0200 (Fri, 09 Feb 2024) $ #$Revision: 289769 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/30/2023029.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_2023029 _cell_angle_alpha 90.000 _cell_angle_beta 115.742 _cell_angle_gamma 90.000 _cell_length_a 11.5512 _cell_length_b 24.4768 _cell_length_c 12.8355 _exptl_crystal_F_000 1556.00 _reflns_d_resolution_high 0.8193 _cod_data_source_file oo2002Isup2.hkl _cod_data_source_block I _shelx_title ' try5_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 403.13 _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 2 0 0 11099.96 13070.57 699.56 o 3 0 0 12141.97 11845.00 535.91 o 4 0 0 9214.92 8007.54 533.89 o 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2266.38 415.51 o 1 3 0 978.73 942.37 96.28 o 2 3 0 43043.55 45732.87 1231.07 o 3 3 0 21149.63 21607.01 1517.19 o 4 3 0 14661.87 13096.64 596.73 o 5 3 0 1495.36 1411.00 197.43 o 6 3 0 11160.46 11231.74 473.23 o 7 3 0 7621.16 7300.92 425.80 o 8 3 0 2867.87 3658.26 333.60 o 9 3 0 22.41 150.47 215.56 o 10 3 0 109.59 480.11 220.82 o 11 3 0 732.97 53.31 467.88 o 12 3 0 3234.12 3583.47 489.24 o 0 4 0 83.79 29.18 139.40 o 1 4 0 1672.66 2625.14 134.41 o 2 4 0 10.94 -47.08 105.84 o 3 4 0 11693.09 12542.56 626.00 o 4 4 0 243.19 319.53 152.14 o 5 4 0 28.37 -91.06 134.99 o 6 4 0 83.73 64.11 133.77 o 7 4 0 2956.11 3470.52 302.64 o 8 4 0 1572.72 1311.93 248.39 o 9 4 0 348.90 129.69 195.84 o 10 4 0 13.15 -155.83 211.07 o 11 4 0 2029.87 1545.41 367.86 o 12 4 0 576.33 1589.31 509.91 o 1 5 0 3454.28 3345.80 216.57 o 2 5 0 59063.79 61163.50 2347.18 o 3 5 0 1013.92 773.82 136.15 o 4 5 0 699.56 414.73 163.14 o 5 5 0 4874.11 4935.83 285.80 o 6 5 0 53.34 -123.12 123.12 o 7 5 0 228.60 14.82 157.46 o 8 5 0 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