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. Author manuscript; available in PMC: 2009 Dec 15.
Published in final edited form as: Inorg Chem. 2008 Dec 15;47(24):11543–11550. doi: 10.1021/ic800580f

Table 3.

Fe K Edge Analysis.

Path Fe-O Fe-Ob Fe-Neq Fe-Neq Fe-Nax Fe-Oax
R (Å) 2.04 2.04 2.09 2.19 2.34 2.50

The estimated standard deviation for the distances is ±0.01 Å and bond angles (not shown) is 4°.

a

The structural and non-structural parameters are obtained by alternate fitting of each set pf parameters separately. This is possible due to the low correlation between these parameters. Nax=axial N(His), Neq=equatorial N(His).

b

Fe-OCO(Ile).