C~39~H~30~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



Date Created:23 March 2005
Deposited On:17 Feb 2010 13:15
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was some disorder of the methyl group in the m5phen rings.

Data collection parameters

Chemical formulaC48 H36 Fe N6 O S10 Zn
Crystal morphologySheet
Crystal systemtriclinic
Space group symbolP-1
Cell length a9.810(13)
Cell length b16.222(15)
Cell length c17.61(2)
Cell angle alpha67.34(8)
Cell angle beta78.62(13)
Cell angle gamma76.86(8)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0836
R Factor (Obs)0.1549
R Factor (All)0.3814
Weighted R Factor (Obs)0.2851
Weighted R Factor (All)0.3772

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/1166/)
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