Sample Originator: Ian R. Butlera.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb and Simon J. Colesb.

University College of North Walesa
University of Southamptonb



Identification Number:10.5258/ecrystals/1105
Controlled Keywords:ferrocene compounds
Date Created:24 May 2005
Deposited On:10 Jun 2013 17:08
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC21 H12 Br F6 Fe N
Crystal morphologyCut Plate
Crystal systemorthorhombic
Space group symbolPna2(1)
Cell length a14.7387(12)
Cell length b10.7713(9)
Cell length c23.365(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0287
R Factor (Obs)0.0523
R Factor (All)0.0745
Weighted R Factor (Obs)0.1296
Weighted R Factor (All)0.1409

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1105)
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