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xyljilin

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The displacement parameters of Cu are larger than that of the lighter atoms and show unusual high anisotropy.

The residuals are too high, no obvious reason like poor data quality can be seen nor is given by the authors.

Thus, the problems are in the structure model, probably.
   
Obviously, the Cu position is disordered and the true Cu coordination approaches a linear coordination

Cl-Cu-N or something like 2+1 coordination in two alternative orientations.

When this possibility is considered and a sensible model can be refined to good residuals,

resubmission is recommended.

[ Last edited by xyljilin on 2011-6-17 at 22:33 ]
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