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. Author manuscript; available in PMC: 2011 Jun 30.
Published in final edited form as: J Am Chem Soc. 2010 Jun 30;132(25):8635–8644. doi: 10.1021/ja100366c

Table 3.

Selected bond lengths from X-ray crystallographic analysis of oxoiron(IV) complexes.

Complex Bond Lengths (Å)
 Ref.
Fe=O Average Fe- Neq Fe- Naxial
d36-1 1.661(2) 2.005 2.112(3) This work
d36-1 (DFT) 1.648 2.034 2.121 11
d36-1 (EXAFS)a 1.65 1.99 1.99 11
3 1.646(3) 2.091 2.058(3) 44
4 1.639(5) 1.957 2.033(8) 45
7 1.667(3) 2.083 2.118(3) 46
6b 1.813(3) 2.056 2.276(4) 27
a

The resolution of this technique is not sufficient to distinguish between Nequatorial and Naxial scatterers.

b

Complex 6 crystallized with 2 independent, but very similar, anions in an asymmetric unit. The bond lengths quoted are an average of the 2 independent anions.