TABLE 2.

Summary of the iron and cobalt EXAFS simulations for metals bound to MtCtpD

Data utilized a k range of 1–13.5 Å⁻¹.

Nearest neighbor ligand environmenta					Long range ligand environmenta
Metal	Atomb	Rc	C.N.d	σ2e	Atomb	Rc	C.N.d	σ2e	F′f
		Å				Å
Iron	Oxygen/nitrogen	1.93	2.5	1.93	Carbon	3.09	4.0	2.46	0.32
	Oxygen/nitrogen	2.07	2.5	2.41
Cobalt	Oxygen/nitrogen	2.09	4.0	3.73	Carbon	2.91	4.0	4.43	0.33
	Oxygen/nitrogen	1.97	1.0	3.91

^a Independent metal-ligand scattering environment.

^b Scattering atoms.

^c Average metal-ligand bond length.

^d Average metal-ligand coordination number.

^e Average Debye-Waller factor (Å × 10³).

^f Number of degrees of freedom weighted mean square deviation between data and fit.