#------------------------------------------------------------------------------ #$Date: 2021-06-12 08:05:06 +0300 (Sat, 12 Jun 2021) $ #$Revision: 266414 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563373.cif $ #------------------------------------------------------------------------------ # # 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_1563373 loop_ _publ_author_name 'Mila\2.0sigma(I) _iucr_refine_instructions_details ; ! MoPro v20.01 16/04/2020 09:50:05 ! molecular file: F:\kreso\rukopisi\DDQ_VT_transfer\3.95GPa\3_10.par ! reflections hkl file : F:\kreso\rukopisi\DDQ_VT_transfer\3.95GPa\OBS_NOEXTINC #T.hkl refin. vs. F^2 ! atomic table file : D:\kristalografija\MoProSuite\LibMoPro\mopro.tab ! wave functions file : D:\kristalografija\MoProSuite\LibMoPro\WAVEF ! anomalous scattering file : D:\kristalografija\MoProSuite\LibMoPro\asf_Kissel #.dat ! Constraints file : F:\kreso\rukopisi\DDQ_VT_transfer\3.95GPa\CONSTRAIN.txt ! Restraints file : F:\kreso\rukopisi\DDQ_VT_transfer\3.95GPa\RESTRAIN.txt ! RF factor = 10.300 % RI factor = 8.132% ! wR2F factor = 4.148 % wR2I factor = 7.899% ! g.o.f.(F**2) = 1.705 Nvar= 233 Nref= 1502 Nfree= 0 0.05