#------------------------------------------------------------------------------ #$Date: 2024-01-20 04:40:45 +0200 (Sat, 20 Jan 2024) $ #$Revision: 289168 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/30/2023011.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_2023011 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 10.3941 _cell_length_b 11.1540 _cell_length_c 23.3489 _exptl_crystal_F_000 1248.00 _reflns_d_resolution_high 0.7484 _cod_data_source_file zv2031Isup5.hkl _cod_data_source_block I _shelx_title ' B23080_a.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 423.60 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -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 2 0 0 113565.88 142149.23 4575.25 o 4 0 0 137619.52 165277.06 9286.16 o 6 0 0 51633.67 52937.47 749.52 o 8 0 0 14386.93 14198.44 218.72 o 10 0 0 3458.80 3479.77 83.66 o 12 0 0 575.20 597.20 65.78 o 1 1 0 10806.06 10445.58 140.59 o 2 1 0 1776.14 1781.04 21.39 o 3 1 0 4104.84 4094.30 45.74 o 4 1 0 13838.71 13964.59 148.08 o 5 1 0 677.59 777.82 16.80 o 6 1 0 11838.00 12045.12 129.49 o 7 1 0 87.97 90.63 10.60 o 8 1 0 16150.14 16512.39 177.43 o 9 1 0 1098.62 1031.39 28.77 o 10 1 0 16081.54 16211.41 204.80 o 11 1 0 141.63 146.36 22.12 o 12 1 0 8514.30 8634.57 164.13 o 13 1 0 3.21 -23.04 35.12 o 0 2 0 6058.93 5916.69 91.26 o 1 2 0 970.84 947.38 12.73 o 2 2 0 31780.31 30861.80 323.89 o 3 2 0 493.91 516.46 10.88 o 4 2 0 27908.39 26519.82 289.93 o 5 2 0 11.63 22.26 6.14 o 6 2 0 19524.92 19530.91 203.10 o 7 2 0 41.91 52.71 9.55 o 8 2 0 13679.38 13555.01 148.61 o 9 2 0 622.78 575.81 23.62 o 10 2 0 2908.05 2881.44 53.07 o 11 2 0 43.20 34.85 21.91 o 12 2 0 726.47 782.99 50.29 o 13 2 0 692.41 719.50 64.88 o 1 3 0 13841.55 13907.49 141.65 o 2 3 0 13094.58 13545.74 138.81 o 3 3 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