C~32~H~12~BF~24~, C~13~H~15~FeO~3~

Sample Originator: Simon Aldridgea.

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

Structure Determination: Peter N. Hortonb.

University of Oxforda
University of Southamptonb



Controlled Keywords:metal carbenes
Date Created:28 November 2005
Deposited On:17 Feb 2010 13:57
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed One of the trifluoromethyl groups was disordered over two positions.

Data collection parameters

Chemical formulaC45 H27 B F24 Fe O3
Crystal morphologyBlade
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a12.1544(3)
Cell length b19.3432(5)
Cell length c20.2595(3)
Cell angle alpha90.00
Cell angle beta104.4350(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0730
R Factor (Obs)0.0483
R Factor (All)0.0672
Weighted R Factor (Obs)0.1061
Weighted R Factor (All)0.1150

Citation: Aldridge, Simon and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1179/)
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