Hi
Can we obtain structure factor data-Fo, Fc etc from Reitveld refinement of powder XRD of a molecule during structure solution. As I want to deposit .cif in CCDC database and they are asking for structure factor data to be accompanied with .cif so that checkCIF can be performed properly. How could we do that to generate structure factor data in MS of a powder solve structure?
Regards
janhvi
Can we obtain structure factor data-Fo, Fc etc from Reitveld refinement of powder XRD of a molecule during structure solution. As I want to deposit .cif in CCDC database and they are asking for structure factor data to be accompanied with .cif so that checkCIF can be performed properly. How could we do that to generate structure factor data in MS of a powder solve structure?
Regards
janhvi