#------------------------------------------------------------------------------ #$Date: 2016-12-02 04:09:34 +0200 (Fri, 02 Dec 2016) $ #$Revision: 188820 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108016.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_2108016 _audit_creation_date 14-04-17 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 118.069(8) _cell_angle_gamma 90 _cell_length_a 14.3602(19) _cell_length_b 4.6156(6) _cell_length_c 14.413(2) _cod_data_source_file fx50041sup4.hkl _cod_data_source_block 1 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 9.91 0.00 2.62 l 0.0000E+00 4 0 0 38401.43 38553.49 591.35 o 0.1131E-05 6 0 0 10.90 17.67 5.45 o 0.1173E-02 8 0 0 9689.18 10281.74 134.33 o 0.6964E-05 10 0 0 16.51 3.45 12.00 o 0.1154E-02 12 0 0 19512.41 19472.20 315.09 o 0.2893E-05 14 0 0 -33.68 2.33 34.10 o 0.1099E-02 16 0 0 1250.09 1293.68 64.90 o 0.3458E-03 1 1 0 966.95 914.78 12.81 o 0.4759E-03 2 1 0 58.94 49.06 6.41 o 0.1163E-02 3 1 0 1464.47 1437.28 17.60 o 0.3061E-03 4 1 0 54534.00 54702.26 510.09 o 0.7368E-06 5 1 0 13687.58 12890.27 140.77 o 0.4731E-05 6 1 0 473.63 458.94 11.85 o 0.5401E-03 7 1 0 3788.61 3617.10 43.57 o 0.5035E-04 8 1 0 29099.17 29488.63 296.79 o 0.1566E-05 9 1 0 1626.93 1694.64 24.66 o 0.2245E-03 10 1 0 69.67 41.56 19.99 o 0.1109E-02 11 1 0 17.24 19.21 12.08 o 0.1187E-02 12 1 0 311.43 292.61 19.63 o 0.4730E-03 13 1 0 253.58 246.16 20.48 o 0.4715E-03 14 1 0 -11.29 3.44 12.92 o 0.1169E-02 15 1 0 119.07 137.45 22.55 o 0.5998E-03 16 1 0 2892.11 2808.53 75.38 o 0.8710E-04 0 2 0 14406.98 14847.09 193.44 o 0.4079E-05 1 2 0 13091.38 12252.51 124.69 o 0.5060E-05 2 2 0 4079.84 4100.49 44.05 o 0.4274E-04 3 2 0 8578.83 8361.92 89.51 o 0.1069E-04 4 2 0 506.67 584.47 10.64 o 0.5031E-03 5 2 0 342.12 357.22 9.97 o 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