#------------------------------------------------------------------------------ #$Date: 2024-01-10 04:38:35 +0200 (Wed, 10 Jan 2024) $ #$Revision: 289009 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/30/2023000.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_2023000 _audit_creation_date 22-07-15 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 100.426(2) _cell_angle_gamma 90 _cell_length_a 7.1189(2) _cell_length_b 10.9687(2) _cell_length_c 13.0678(3) _cod_data_source_file nx2003Isup2.hkl _cod_data_source_block I loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z x,-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_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_include_status _refln_refinement_weight 2 0 0 1124.40 1264.82 19.85 o 0.3725E-03 3 0 0 1179.64 1156.33 16.28 o 0.4214E-03 4 0 0 131.38 132.93 3.23 o 0.1358E-01 5 0 0 120.03 121.88 3.50 o 0.1461E-01 6 0 0 203.63 198.96 5.05 o 0.7195E-02 7 0 0 0.55 0.11 2.21 o 0.2019E+00 8 0 0 -0.70 0.03 2.17 o 0.2098E+00 9 0 0 -0.04 2.14 2.27 o 0.1784E+00 10 0 0 5.05 1.52 2.67 o 0.1251E+00 1 1 0 851.04 839.56 12.27 l 0.0000E+00 2 1 0 10972.92 10976.50 96.55 o 0.5945E-05 3 1 0 559.33 546.12 5.99 o 0.1676E-02 4 1 0 -0.36 0.18 0.70 o 0.1776E+01 5 1 0 48.19 46.43 1.87 o 0.4812E-01 6 1 0 -0.06 0.16 1.10 o 0.7947E+00 7 1 0 33.37 30.11 2.53 o 0.5810E-01 8 1 0 18.85 19.01 2.08 o 0.9426E-01 9 1 0 -1.63 0.15 1.51 o 0.4048E+00 10 1 0 3.16 4.76 2.74 o 0.1134E+00 0 2 0 1092.96 1231.53 17.73 l 0.0000E+00 1 2 0 570.01 507.68 7.51 o 0.1727E-02 2 2 0 1108.25 1102.01 10.00 o 0.4966E-03 3 2 0 1.36 1.04 0.62 o 0.1372E+01 4 2 0 0.57 0.98 0.68 o 0.1381E+01 5 2 0 200.21 194.36 3.23 o 0.8308E-02 6 2 0 242.18 233.19 4.90 o 0.5933E-02 7 2 0 16.56 20.09 1.83 o 0.1041E+00 8 2 0 14.78 15.45 2.19 o 0.1025E+00 9 2 0 0.89 1.83 1.78 o 0.2741E+00 10 2 0 2.36 5.15 2.80 o 0.1090E+00 1 3 0 158.43 158.10 3.33 o 0.1087E-01 2 3 0 198.21 178.87 3.40 o 0.8877E-02 3 3 0 12.95 18.26 0.98 o 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