Table 3.

Summary of EXAFS simulation analysis^a

	Fe-nearest neighbor ligandsb					Fe-long-range ligandsb
sample	atomc	R (Å)d	CNe	σ 2f	atomc	R (Å)d	CNe	σ 2f	F’g
Native	O/N	1.96	2.5	4.77	C	3.11	3.0	4.64	0.84
	O/N	2.08	2.0	4.30	Fe	3.43	0.5	2.68
					C	4.01	2.0	1.55
Azide	O/N	1.96	2.5	5.12	C	3.10	3.0	4.37	0.37
	O/N	2.08	2.5	5.70	Fe	3.44	0.5	3.63
					C	4.07	2.0	3.08

^aValues given in table represent the best-fit simulation parameters.

^bIndependent metal-ligand scattering environment.

^cScattering atoms: O(oxygen), N(nitrogen) and C(carbon).

^dMetal-ligand bond length (all standard deviations < 0.03 Å).

^eMetal-ligand coordination number (all standard deviations < 1.0).

^fDebye-Waller factor given in Ų × 10³ (all standard deviations < 0.9 Å).

^gNumber of degrees of freedom weighted mean square deviation between empirical and theoretical data.