#------------------------------------------------------------------------------ #$Date: 2019-07-20 06:59:36 +0300 (Sat, 20 Jul 2019) $ #$Revision: 217186 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/84/2108448.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_2108448 _audit_creation_date 18-09-26 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 93.730(4) _cell_angle_gamma 90 _cell_length_a 9.8367(5) _cell_length_b 17.1456(8) _cell_length_c 9.8764(4) _cod_data_source_file ps5073Isup2.hkl _cod_data_source_block I loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status _refln_refinement_weight 2 0 0 266.17 332.43 16.22 o 0.1517E-02 4 0 0 1741.10 1821.72 33.74 o 0.8268E-04 6 0 0 356.76 327.81 24.12 o 0.9516E-03 8 0 0 -18.27 1.10 12.17 o 0.6659E-02 10 0 0 17.99 17.82 7.89 o 0.1461E-01 12 0 0 2.06 2.75 1.71 o 0.2719E+00 1 1 0 326.04 386.80 9.57 o 0.1585E-02 2 1 0 47.50 50.26 5.42 o 0.1953E-01 3 1 0 335.83 374.37 16.10 o 0.1267E-02 4 1 0 245.22 241.29 9.48 o 0.2843E-02 5 1 0 215.88 217.68 11.81 o 0.2815E-02 6 1 0 244.81 233.18 14.14 o 0.2216E-02 7 1 0 431.06 378.20 24.67 o 0.8078E-03 8 1 0 5.95 0.05 7.07 o 0.1977E-01 9 1 0 23.48 15.85 4.46 o 0.3807E-01 10 1 0 0.12 2.28 2.09 o 0.2066E+00 11 1 0 -1.60 0.06 1.54 o 0.3949E+00 12 1 0 -0.09 0.18 1.14 o 0.7509E+00 0 2 0 5064.63 5960.20 69.68 o 0.9046E-05 1 2 0 9769.93 11198.88 57.37 o 0.2627E-05 2 2 0 17123.47 18411.67 136.09 o 0.9279E-06 3 2 0 1287.67 1306.87 28.71 o 0.1478E-03 4 2 0 2513.79 2669.54 36.08 o 0.4112E-04 5 2 0 56.18 61.92 5.70 o 0.1624E-01 6 2 0 5.24 6.11 3.73 o 0.6398E-01 7 2 0 82.57 91.21 11.18 o 0.5691E-02 8 2 0 30.42 43.88 10.54 o 0.7847E-02 9 2 0 20.01 11.15 4.30 o 0.4318E-01 10 2 0 9.48 9.45 3.50 o 0.6549E-01 11 2 0 3.41 0.01 1.93 o 0.2460E+00 12 2 0 0.98 1.35 1.20 o 0.5538E+00 1 3 0 437.08 465.22 13.70 o 0.1006E-02 2 3 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