C~10~Cr~2~O~20~, 4(C~10~H~8~S~8~)

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



Date Created:09 November 2004
Deposited On:17 Feb 2010 16:15
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. The ethylene groups of the BEDT-TTF molecules are disordered over two sites. The Cr2(C2O4)5 unit is disordered over two positions, which is related by symmetry operations.

Data collection parameters

Chemical formulaC50 H32 Cr2 O20 S32
Crystal morphologyPlate
Crystal systemmonoclinic
Space group symbolC2/m
Cell length a22.831(5)
Cell length b10.900(2)
Cell length c16.916(3)
Cell angle alpha90.00
Cell angle beta124.56(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0507
R Factor (All)0.0652
Weighted R Factor (Obs)0.1114
Weighted R Factor (All)0.1174

Citation: Carling, Simon G. and Martin, Lee and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1074/)
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