2009src1136 - C~30~H26~Cl~4~FeOS~24~

Sample Originator: Lee Martina.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Nottingham Trent Universitya
University of Southamptonb



Identification Number:10.5258/ecrystals/1235
Controlled Keywords:charge-transfer complexes, BEDT-TTF
Date Created:26 November 2009
Deposited On:22 Jan 2010 15:39
Deposited By:Dr Peter N Horton

Depositor Comments

User ref code:- LeeMnFeOx3 Sample split(twinned) (31%) 6.1degrees about direct vector 1 0 0.

Data collection parameters

Chemical formulaC30 H26 Cl4 Fe O S24
Crystal morphologySheet
Crystal systemtriclinic
Space group symbolP-1
Cell length a8.8505(2)
Cell length b16.2148(5)
Cell length c16.5501(4)
Cell angle alpha96.9670(10)
Cell angle beta93.664(2)
Cell angle gamma90.307(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0814
R Factor (All)0.1107
Weighted R Factor (Obs)0.1399
Weighted R Factor (All)0.1627

Citation: Martin, Lee and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1235)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page