02SRC741 - C22H23FeNO2

Sample Originator: Ian R. Butlera.

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

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

University of Wales, Bangora
University of Southamptonb



Identification Number:10.5258/ecrystals/913
Controlled Keywords:iron, ferrocene compounds, catalysis
Date Created:09 January 2003
Deposited On:10 Jun 2013 17:11
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H23 Fe N O2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.6203(11)
Cell length b10.5084(13)
Cell length c11.3286(15)
Cell angle alpha80.528(5)
Cell angle beta73.494(5)
Cell angle gamma71.177(5)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1399
R Factor (Obs)0.0952
R Factor (All)0.1878
Weighted R Factor (Obs)0.1855
Weighted R Factor (All)0.2270

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/913)
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