#------------------------------------------------------------------------------ #$Date: 2018-01-26 11:10:06 +0200 (Fri, 26 Jan 2018) $ #$Revision: 205743 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/87/1548798.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_1548798 _cell_angle_alpha 90.000 _cell_angle_beta 102.610 _cell_angle_gamma 90.000 _cell_length_a 23.7670 _cell_length_b 5.1425 _cell_length_c 39.8060 _exptl_crystal_F_000 2336.00 _reflns_d_resolution_high 0.6884 _cod_data_source_file su5405Isup2.hkl _cod_data_source_block I _shelx_title ' shelxt_a.res in C2/c New: I2/a' _shelx_refln_list_code 4 _shelx_f_calc_maximum 849.70 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' '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 4 0 0 5141.26 2475.93 1124.84 o 6 0 0 326.49 350.56 124.92 o 8 0 0 9919.39 7171.41 2267.91 o 10 0 0 23870.02 23932.72 2536.12 o 12 0 0 847.84 1115.09 182.63 o 14 0 0 14809.24 14250.20 793.59 o 16 0 0 15918.75 17592.95 1234.23 o 18 0 0 124219.51 140038.45 7308.24 o 20 0 0 9450.83 10526.33 901.60 o 22 0 0 16053.20 15919.18 1179.88 o 24 0 0 9788.66 9850.71 873.43 o 26 0 0 5985.71 7067.38 775.72 o 28 0 0 7941.87 7517.99 948.84 o 30 0 0 1107.31 527.59 484.67 o 32 0 0 165.36 177.16 414.07 o 1 1 0 1335.70 1131.95 111.65 o 3 1 0 44143.90 43244.69 514.83 o 5 1 0 385941.19 407756.81 5449.65 o 7 1 0 7053.77 7287.40 211.39 o 9 1 0 44588.27 46489.75 628.72 o 11 1 0 258.05 265.41 75.28 o 13 1 0 39470.15 38664.77 738.54 o 15 1 0 1256.78 1302.74 216.37 o 17 1 0 111.46 192.98 155.36 o 19 1 0 42.35 135.33 211.66 o 21 1 0 14012.20 14226.53 696.33 o 23 1 0 18634.54 19860.62 873.24 o 25 1 0 117.34 592.04 268.02 o 27 1 0 8008.54 7823.10 649.77 o 29 1 0 737.88 641.84 319.06 o 31 1 0 1041.78 497.10 371.43 o 33 1 0 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