[Cod-bugs] Possibly incorrectly assigned atoms in supplement of Bao et al. (1998)

[Andrius Merkys]

Dear Professor Mutai Bao,

I have noticed unusual acetonitrile bond lengths C-C (1 angst.) and C-N
(1.45 angst.) in crystal structure in supplement of Bao et al., 1998
(http://scripts.iucr.org/cgi-bin/paper?S0108270198006465,
doi:10.1107/S0108270198006465,
http://www.crystallography.net/cod/2007795.html). To me it seems that
chemical types of N02 and C04 are swapped, resulting in unusually short
C-C single bond and long C-N triple bond. I would like to know whether
this could be a mistake or a true feature of this crystal structure.

Yours faithfully,
Andrius Merkys

-- 
Andrius Merkys
PhD student at Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania