#------------------------------------------------------------------------------ #$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $ #$Revision: 288434 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022966.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_2022966 _cell_angle_alpha 90.000 _cell_angle_beta 132.035 _cell_angle_gamma 90.000 _cell_length_a 26.9526 _cell_length_b 8.1226 _cell_length_c 18.6897 _exptl_crystal_F_000 1744.00 _reflns_d_resolution_high 0.6925 _cod_data_source_file yz20443asup3.hkl _cod_data_source_block 3a _shelx_title ' Emma in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 751.67 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 4 0 0 159563.00 159211.08 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327764.94 327400.72 1606.43 o 8 2 0 92548.34 90921.30 761.16 o 10 2 0 8911.97 9134.46 263.01 o 12 2 0 81367.85 79690.09 1072.81 o 14 2 0 31534.45 30741.24 663.56 o 16 2 0 4845.86 4894.35 325.73 o 18 2 0 67613.46 66109.70 1740.51 o 20 2 0 38562.58 38264.81 771.02 o 22 2 0 5.19 209.70 180.65 o 24 2 0 20228.82 20700.47 720.98 o 26 2 0 16408.96 18821.84 709.06 o 28 2 0 549.51 476.90 391.08 o 1 3 0 19579.71 18792.04 186.50 o 3 3 0 92171.54 88552.74 476.85 o 5 3 0 62118.92 64205.79 395.38 o 7 3 0 15063.07 14662.57 177.12 o 9 3 0 57974.20 57384.58 544.61 o 11 3 0 14743.12 14573.32 299.88 o 13 3 0 1039.56 1055.90 95.02 o 15 3 0 48323.41 46254.21 593.40 o 17 3 0 25197.91 25761.75 611.49 o 19 3 0 415.20 311.02 109.07 o 21 3 0 12173.96 12534.34 557.05 o 23 3 0 7595.74 7946.18 397.44 o 25 3 0 12.00 345.38 226.65 o 27 3 0 10711.26 12305.58 814.44 o 0 4 0 16285.59 16124.66 344.58 o 2 4 0 35213.68 35420.68 318.27 o 4 4 0 899.50 884.33 39.67 o 6 4 0 33420.30 33096.03 287.08 o 8 4 0 2151.39 2240.31 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0 382.38 433.73 173.37 o 22 6 0 647.01 934.90 237.27 o 24 6 0 4.89 511.96 385.41 o 1 7 0 896.74 920.96 68.32 o 3 7 0 6436.65 6675.42 196.66 o 5 7 0 3010.66 2813.07 133.62 o 7 7 0 190.91 139.65 60.84 o 9 7 0 7872.64 8039.67 264.83 o 11 7 0 11499.69 11491.72 350.97 o 13 7 0 2759.75 3137.08 211.44 o 15 7 0 768.44 602.18 136.43 o 17 7 0 5769.10 5892.04 473.78 o 19 7 0 507.28 266.16 183.98 o 21 7 0 2475.18 2952.93 454.23 o 0 8 0 10173.94 10319.62 473.56 o 2 8 0 7040.72 6773.43 288.86 o 4 8 0 687.12 557.95 86.83 o 6 8 0 26661.27 26871.01 497.25 o 8 8 0 6727.91 7145.66 263.38 o 10 8 0 501.84 365.84 117.86 o 12 8 0 6131.66 6680.22 335.03 o 14 8 0 13958.34 14199.38 505.68 o 16 8 0 499.25 374.14 155.27 o 18 8 0 4430.24 4420.25 372.07 o 20 8 0 6861.97 5637.04 1104.39 o 1 9 0 4769.59 4709.48 262.09 o 3 9 0 38686.07 39622.02 799.14 o 5 9 0 22264.49 22214.47 639.96 o 7 9 0 2889.24 2668.52 193.33 o 9 9 0 19707.19 19788.13 556.23 o 11 9 0 8261.25 8057.35 414.13 o 13 9 0 145.12 429.38 141.88 o 15 9 0 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