Dear Lisa, You could try using SHELXD (e.g. via hkl2map) to find the heavy atoms, it doesn't need f' and f". However you should take into account that many soaks have not absorbed the intended heavy atoms or clusters, and that if a tantalum bromide cluster has actually been incorporated it will probably be disordered.
Best wishes, George On 11/21/2013 07:29 AM, LISA wrote: > Dear All, > > I am running autosharp with a single wavelength data soked with Ta6Br12. > This data collected at the wavelength of 1.254A. I told the autosharp > the f' -20 and f''10.5. The autosharp result said these values are not > correct? How can we get the f' and f'' of this cluster? Thank you. > > Lisa -- Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-33021 or -33068 Fax. +49-551-39-22582
