#------------------------------------------------------------------------------ #$Date: 2016-12-06 01:40:23 +0200 (Tue, 06 Dec 2016) $ #$Revision: 188929 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300625.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_2300625 _audit_creation_date 16-03-15 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 102.1287(10) _cell_angle_gamma 90 _cell_length_a 15.64921(16) _cell_length_b 19.57407(17) _cell_length_c 9.67099(9) _cod_data_source_file kc5042TCL_BEsup3.hkl _cod_data_source_block TCL_BE 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_observed_status _refln_refinement_weight 2 0 0 46.93 47.90 2.19 o 0.1532E-01 3 0 0 8663.44 8218.29 35.68 o 0.1246E-04 4 0 0 1480.25 1422.22 16.95 o 0.7961E-04 5 0 0 8053.22 8074.49 62.62 o 0.1426E-04 6 0 0 11223.27 10337.50 80.71 o 0.8682E-05 7 0 0 1411.62 1332.70 22.82 o 0.8436E-04 8 0 0 64.60 48.60 5.55 o 0.1243E-01 9 0 0 1074.73 1021.76 34.75 o 0.1159E-03 10 0 0 27.18 22.65 6.93 o 0.7195E-01 11 0 0 1704.82 1407.09 51.24 o 0.6702E-04 12 0 0 120.77 174.20 5.94 o 0.1228E-02 13 0 0 2.32 2.20 2.86 o 0.2316E+00 14 0 0 138.89 135.97 7.48 o 0.1820E-02 15 0 0 38.02 34.07 2.77 o 0.2633E-01 16 0 0 14.97 21.73 1.72 o 0.6152E-01 17 0 0 22.14 22.20 1.92 o 0.5538E-01 18 0 0 1.53 1.09 1.21 o 0.2310E+00 19 0 0 27.96 25.81 2.03 o 0.4250E-01 2 1 0 445.04 383.68 5.10 o 0.3893E-03 3 1 0 1406.94 1448.31 11.66 o 0.8144E-04 4 1 0 1229.56 1070.43 10.94 o 0.1003E-03 5 1 0 161.38 99.87 4.46 o 0.2548E-02 6 1 0 68.41 45.78 3.84 o 0.1165E-01 7 1 0 305.51 369.28 8.62 o 0.3706E-03 8 1 0 612.83 528.16 16.59 o 0.2452E-03 9 1 0 313.53 307.16 10.76 o 0.5938E-03 10 1 0 175.45 185.75 8.73 o 0.1264E-02 11 1 0 569.00 519.31 21.27 o 0.2668E-03 12 1 0 915.53 915.10 13.34 o 0.1375E-03 13 1 0 694.23 700.68 12.48 o 0.1971E-03 14 1 0 51.54 48.11 3.30 o 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