2009src0840 - C40H44Br1.32Cl0.68O6S32

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/1233
Controlled Keywords:charge-transfer complexes, BEDT-TTF
Date Created:05 August 2009
Deposited On:22 Jan 2010 14:50
Deposited By:Dr Peter N Horton

Depositor Comments

User Ref code:- ADOLINA3

Data collection parameters

Chemical formulaC40 H44 Br1.32 Cl0.68 O6 S32
Crystal morphologyBlock
Crystal systemOrthorhombic
Space group symbolPcca
Cell length a32.736(2)
Cell length b6.6793(5)
Cell length c14.7618(11)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0436
R Factor (Obs)0.0474
R Factor (All)0.0698
Weighted R Factor (Obs)0.1041
Weighted R Factor (All)0.1125

Citation: Martin, Lee and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1233)
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