#------------------------------------------------------------------------------ #$Date: 2023-12-12 14:54:19 +0200 (Tue, 12 Dec 2023) $ #$Revision: 288248 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563358.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_1563358 loop_ _publ_author_name 'Mila\2.0sigma(I) _iucr_refine_instructions_details ; ! MoPro v20.01 19/08/2020 11:06:58 ! molecular file: D:\kreso\rukopisi\DDQ_VT_transfer\150K_christian\DDQ4CN_150K_ #disor_29.par ! reflections hkl file : D:\kreso\rukopisi\DDQ_VT_transfer\150K_christian\OBS_N #OEXTINCT_150K.hkl refin. vs. F^2 ! atomic table file : D:\kreso\MoProSuite\LibMoPro\mopro_v20.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\150K_christian\CONSTRAIN #.txt ! Restraints file : D:\kreso\rukopisi\DDQ_VT_transfer\150K_christian\RESTRAIN.t #xt ! RF factor = 3.013 % RI factor = 3.090% ! wR2F factor = 2.000 % wR2I factor = 3.892% ! g.o.f.(F**2) = 1.012 Nvar= 238 Nref= 2828 Nfree= 0 0.05