C~6~AlNaO~12~, C~10~H~8~S~8~, O

Sample Originator: Simon G. Carlinga and Lee Martinb.

Data Collection: Peter N. Hortonc and Michael B. Hursthousec

Structure Determination: Peter N. Hortonc.

Royal Institutiona
Nottingham Trent Universityb
University of Southamptonc



Controlled Keywords:conducting polymers
Date Created:21 April 2005
Deposited On:18 Feb 2010 11:38
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was disorder of the sodium and aluminium cations and one of the oxalate anions It was not possible to locate the hydrogen atoms around the oxygen O51. For charge balancing, it would be good if this was actually H3O+.

Data collection parameters

Chemical formulaC16 H11 Al Na O13 S8
Crystal morphologyCut Shard
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a10.1353(15)
Cell length b15.4448(13)
Cell length c15.877(2)
Cell angle alpha90.00
Cell angle beta90.491(13)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0966
R Factor (All)0.1282
Weighted R Factor (Obs)0.2143
Weighted R Factor (All)0.2253

Citation: Carling, Simon G. and Martin, Lee and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1053/)
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