#------------------------------------------------------------------------------ #$Date: 2018-06-05 19:04:29 +0300 (Tue, 05 Jun 2018) $ #$Revision: 208145 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/95/1549521.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_1549521 _cell_angle_alpha 90.000 _cell_angle_beta 103.777 _cell_angle_gamma 90.000 _cell_length_a 16.7564 _cell_length_b 7.9403 _cell_length_c 17.9303 _exptl_crystal_F_000 1352.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file sj4181Isup2.hkl _cod_data_source_block I _shelx_title ' MCDB.res in P2(1)/n Z=4' _shelx_refln_list_code 4 _shelx_f_calc_maximum 402.27 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 34844.40 38517.96 835.78 o 6 0 0 66681.80 69297.01 1724.39 o 8 0 0 490.27 521.52 100.19 o 10 0 0 13003.60 12192.05 522.44 o 12 0 0 9816.68 9133.31 300.34 o 14 0 0 3479.77 3790.74 233.10 o 16 0 0 2835.91 3000.17 225.51 o 18 0 0 433.74 211.90 258.74 o 2 1 0 48078.12 53606.86 714.42 o 3 1 0 2.02 -13.69 27.30 o 4 1 0 10703.50 11258.20 181.26 o 5 1 0 174.80 155.84 40.92 o 6 1 0 483.90 453.00 51.16 o 7 1 0 15907.31 15712.63 324.37 o 8 1 0 43116.43 42937.82 787.60 o 9 1 0 2633.27 2735.73 108.99 o 10 1 0 2.72 -101.77 74.75 o 11 1 0 9698.33 9146.94 230.44 o 12 1 0 6120.99 5749.48 176.40 o 13 1 0 188.53 62.27 100.91 o 14 1 0 4828.38 4672.59 174.94 o 15 1 0 2720.79 2857.77 152.25 o 16 1 0 1087.64 980.90 133.27 o 17 1 0 297.53 281.63 179.44 o 18 1 0 1308.97 1217.24 201.54 o 19 1 0 1478.27 972.19 207.93 o 0 2 0 127742.12 136832.94 2481.64 o 1 2 0 3177.86 3215.91 70.59 o 2 2 0 2061.00 1952.95 60.83 o 3 2 0 224.56 286.96 38.39 o 4 2 0 24631.69 24995.03 344.61 o 5 2 0 582.19 661.18 50.22 o 6 2 0 11008.09 10647.94 182.58 o 7 2 0 467.07 486.32 59.53 o 8 2 0 31401.24 32246.21 487.97 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