#------------------------------------------------------------------------------ #$Date: 2016-11-19 04:21:59 +0200 (Sat, 19 Nov 2016) $ #$Revision: 188582 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/46/1544628.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_1544628 _audit_creation_date 16-07-25 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 95.237(18) _cell_angle_gamma 90 _cell_length_a 4.0062(9) _cell_length_b 10.739(2) _cell_length_c 17.178(3) _cod_data_source_file ff4011Isup2.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 0 453.42 558.06 20.40 o 0.3476E-03 4 0 0 740.51 735.01 34.40 o 0.3203E-03 1 1 0 76.06 80.62 4.20 o 0.2652E-02 2 1 0 317.48 358.48 11.64 o 0.5532E-03 3 1 0 1178.07 1196.94 27.61 o 0.2127E-03 4 1 0 26.62 37.22 5.02 o 0.5826E-02 5 1 0 251.06 341.54 24.65 o 0.5233E-03 0 2 0 894.53 0.00 18.25 l 0.0000E+00 1 2 0 9833.35 9767.02 43.34 o 0.4756E-04 2 2 0 10587.89 10857.99 66.26 o 0.4074E-04 3 2 0 95.01 103.45 7.86 o 0.1986E-02 4 2 0 133.86 137.51 12.44 o 0.1514E-02 5 2 0 36.48 37.55 14.15 o 0.6054E-02 1 3 0 1681.06 1621.92 19.78 o 0.1625E-03 2 3 0 56.29 43.62 4.32 o 0.5030E-02 3 3 0 12.04 16.65 4.12 o 0.1603E-01 4 3 0 497.08 483.56 24.13 o 0.4526E-03 0 4 0 5494.27 5869.56 64.34 o 0.5395E-04 1 4 0 1301.63 1454.36 17.33 o 0.1591E-03 2 4 0 202.69 168.90 10.66 o 0.1132E-02 3 4 0 2020.18 1787.71 42.85 o 0.1260E-03 4 4 0 399.65 399.06 28.21 o 0.5486E-03 5 4 0 86.81 58.70 24.32 o 0.3289E-02 1 5 0 662.30 595.48 14.73 o 0.3479E-03 2 5 0 671.82 670.03 18.76 o 0.3489E-03 3 5 0 482.94 434.08 19.70 o 0.4659E-03 4 5 0 -3.97 0.03 7.67 o 0.2099E-01 0 6 0 21.07 13.10 3.74 o 0.1846E-01 1 6 0 2184.49 2187.39 26.02 o 0.1380E-03 2 6 0 640.23 632.29 15.72 o 0.3629E-03 3 6 0 397.90 371.65 16.15 o 0.5567E-03 4 6 0 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