Sample Originator: James H. R. Tuckera.

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

Structure Determination: Peter N. Hortonb.

University of Birminghama
University of Southamptonb



Controlled Keywords:photochromic compounds, hydrogen bonding, iron compounds
Date Created:09 June 2005
Deposited On:24 Feb 2010 12:02
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC27 H35 Fe N3 O2 S
Crystal morphologyRod
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a5.6181(7)
Cell length b56.744(11)
Cell length c7.8992(8)
Cell angle alpha90.00
Cell angle beta102.877(11)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0730
R Factor (All)0.1436
Weighted R Factor (Obs)0.1461
Weighted R Factor (All)0.1855

Citation: Tucker, James H. R. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1056/)
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