#------------------------------------------------------------------------------ #$Date: 2023-12-12 14:54:19 +0200 (Tue, 12 Dec 2023) $ #$Revision: 288248 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563356.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_1563356 loop_ _publ_author_name 'Mila\2.0sigma(I) _iucr_refine_instructions_details ; ! MoPro v20.01 03/03/2020 15:38:49 ! molecular file: D:\kreso\rukopisi\DDQ_VT_transfer\90K\ddq90k_cif_07.par ! reflections hkl file : D:\kreso\rukopisi\DDQ_VT_transfer\90K\OBS_NOEXTINCT.hk #l refin. vs. F^2 ! atomic table file : D:\kreso\MoProSuite\LibMoPro\mopro.tab ! wave functions file : D:\kreso\MoProSuite\LibMoPro\WAVEF ! anomalous scattering file : D:\kreso\MoProSuite\LibMoPro\asf_Kissel.dat ! Constraints file : D:\kreso\rukopisi\DDQ_VT_transfer\90K\CONSTRAIN.txt ! Restraints file : D:\kreso\rukopisi\DDQ_VT_transfer\90K\RESTRAIN.txt ! RF factor = 4.410 % RI factor = 7.115% ! wR2F factor = 4.356 % wR2I factor = 8.719% ! g.o.f.(F**2) = 1.139 Nvar= 229 Nref= 2297 Nfree= 0 0.05