#------------------------------------------------------------------------------ #$Date: 2022-09-13 09:42:57 +0300 (Tue, 13 Sep 2022) $ #$Revision: 277790 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/02/69/7026981.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the Crystal Eye server at # http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the # Peter Murray-Rust laboratory. # # 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_7026981 loop_ _publ_author_name 'K\?il\?i\,c, Zeynel' 'Y\?ild\?iz, Mustafa' 'H\"okelek, Tuncer' 'Erdo\3\s(I) _cod_data_source_file 804119isup1.cif _cod_data_source_block (2a) _cod_depositor_comments ; The following automatic conversions were performed: '_refine_ls_weighting_scheme' value 'w = 1 / [\s(I)^2^]' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w = 1 / [\s(I)^2^]'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas The following comments are present in the supplementary file https://www.rsc.org/suppdata/dt/1998/3635/804119i.txt : # Anisotropically refined atoms are given in the form of the # isotropic equivalent displacement parameter defined as: # (4/3) * [a2*B(1,1) + b2*B(2,2) + c2*B(3,3) + ab(cos gamma)*B(1,2) # + ac(cos beta)*B(1,3) + bc(cos alpha)*B(2,3)] # Starred atoms were refined isotropically The "starred" atoms will have their stars removed to conform to the CIF syntax. Sauliu Gra\