#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:02:48 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199076 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/07/2020784.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_2020784 _audit_creation_date 16-10-03 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 97.047(3) _cell_angle_gamma 90 _cell_length_a 7.1707(2) _cell_length_b 22.8006(6) _cell_length_c 13.8237(4) _cod_data_source_file df3006Isup3.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 1491.57 1550.54 76.47 o 0.7798E-04 4 0 0 2880.39 3112.58 75.34 o 0.4148E-04 6 0 0 76.57 69.34 22.40 o 0.1747E-02 1 1 0 904.06 0.00 30.29 l 0.0000E+00 2 1 0 4198.76 4355.31 141.86 o 0.3424E-04 3 1 0 877.10 905.17 27.23 o 0.1238E-03 4 1 0 594.57 595.60 24.38 o 0.1838E-03 5 1 0 1430.57 1477.52 61.40 o 0.8103E-04 6 1 0 1847.21 1889.59 78.75 o 0.6738E-04 7 1 0 893.17 1056.95 82.18 o 0.9664E-04 0 2 0 6098.45 0.00 155.01 l 0.0000E+00 1 2 0 1199.72 0.00 35.08 l 0.0000E+00 2 2 0 3607.48 4022.18 122.07 o 0.3168E-04 3 2 0 123.05 117.96 8.72 o 0.9462E-03 4 2 0 3945.68 4536.09 76.86 o 0.2676E-04 5 2 0 1054.83 1110.43 51.51 o 0.1020E-03 6 2 0 243.98 331.54 38.16 o 0.2840E-03 7 2 0 576.91 590.70 64.71 o 0.1821E-03 1 3 0 7.26 0.00 3.63 l 0.0000E+00 2 3 0 2635.36 2667.34 77.24 o 0.5211E-04 3 3 0 298.75 389.29 12.92 o 0.2452E-03 4 3 0 2922.20 2954.58 64.24 o 0.4816E-04 5 3 0 157.28 195.69 19.20 o 0.5151E-03 6 3 0 3092.15 3200.96 152.65 o 0.4375E-04 7 3 0 327.63 358.10 48.49 o 0.2876E-03 0 4 0 1055.71 0.00 49.29 l 0.0000E+00 1 4 0 197.69 221.23 14.55 o 0.4660E-03 2 4 0 16.43 20.66 5.65 o 0.7174E-02 3 4 0 2457.24 2457.08 55.22 o 0.5600E-04 4 4 0 341.27 417.66 22.01 o 0.2328E-03 5 4 0 366.13 431.10 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