Dears,
I am currently working on the refinement of aromatic donor/acceptor
cocomplex containing molecules of the types C6H5-X and C6F5-Y. There
may be disorder in this aspect of the structure, and therefore the occupancy
constraint should be considered. Could you please give me any advice if, any
chance, I can refine the ring of C6F5-Y allowing the occupancies of F &
Y to be varied but the total occupancy of F and Y must be 5 and 1
respectively?. How can I define the linear constrain and the coefficient
in GSAS?
Thank you very much in any help and information.
S.Meejoo
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S.Meejoo
Structural Chemistry
University of Birmingham
Edgbaston, Birmingham B15 2TT
Tel. 0121-4147475
email: [EMAIL PROTECTED]
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