Table 3.
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°.
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).
Fe-OCO−(Ile).