C~44~H~40~Fe~2~N~6~O~4~, 2(H~2~O)

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:carboxylic acids, DNA, iron compounds
Date Created:26 April 2002
Deposited On:08 Nov 2013 16:15
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There is a molecule of water in the asymmetric unit.

Data collection parameters

Chemical formulaC42 H44 Fe2 N6 O6
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a12.8537(12)
Cell length b8.4774(10)
Cell length c17.831(2)
Cell angle alpha90.00
Cell angle beta94.064(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0813
R Factor (All)0.2305
Weighted R Factor (Obs)0.1348
Weighted R Factor (All)0.1794

Citation: Tucker, James H. R. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1076/)
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