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

[Andrius Merkys]

Dear Sean Conway,

thank you for your quick reply! I am looking forward to hear the decision.

Sincerely,
Andrius Merkys


On 10/08/17 11:47, Sean Conway wrote:
> Dear Andrius
>
> Many thanks for your message.
>
> I will discuss this with the Main Editors of the journal and see what they 
> think, i.e. whether a correction is needed or not.
>
> I'll get back to you soon with an explanation.
>
> Best wishes from Chester. 
> Sean Conway 
>
> Managing Editor (Acta Cryst. C) 
> Email: sc at iucr.org
> http://journals.iucr.org/c
>
>
> On Wednesday, 9 August 2017 17:39:26 BST you wrote:
>> Dear authors,
>> dear editor,
>>
>> 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