C~36~H~24~FeN~6~, C~6~S~10~Zn, C~3~H~6~O

Sample Originator: Scott S. Turnera.

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

Structure Determination: Peter N. Hortonb.

University of Surreya
University of Southamptonb



Controlled Keywords:conductors
Date Created:20 October 2005
Deposited On:17 Feb 2010 13:50
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There is a molecule of acetone in the unit cell that was quite thermally disordered and thus only the best position used.

Data collection parameters

Chemical formulaC45 H30 Fe N6 O S10 Zn
Crystal morphologyPlate
Crystal systemtriclinic
Space group symbolP-1
Cell length a10.0588(11)
Cell length b15.0027(18)
Cell length c17.275(2)
Cell angle alpha67.078(6)
Cell angle beta78.350(7)
Cell angle gamma77.787(6)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1354
R Factor (All)0.3025
Weighted R Factor (Obs)0.2583
Weighted R Factor (All)0.3269

Citation: Turner, Scott S. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1167/)
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