Table 2. EXAFS Curve Fitting Results for Zn(II)–WT1-4^a.

model	Zn–S	Zn–N	Zn–Hisb	Rfc	Ru
4 N		2.07 (6.2)		238	420
4 S	2.26 (11)			75	183
2 S + 2 S	2.19 (6.6), 2.32 (5.0)			61	176
2 S + 2 N	2.28 (2.8)	2.10 (2.4)		25	128
2 S + 2 N (2 His)	2.28 (2.8)	2.10 (2.6)	2.85 (18), 3.37 (2.2), 4.17 (10), 4.38 (16)	23	66

^aDistances (Å) and disorder parameters (in parentheses, σ² (10^–3 Ų)) shown derive from fits to filtered EXAFS data. Δk = 1.5–13.2 Å^–1; ΔR = 0.7–2.3 Å for first shell fits; ΔR = 0.1–4.5 Å for multiple scattering fits.

^bMultiple scattering paths represent combined scattering paths described in Experimental Section.

^cGoodness of fit (R_f for fits to filtered data; R_u for fits to unfiltered data) is defined as 1000 × (∑_i = 1^N{[Re(χ_icalc)]² + [Im(χ_icalc)]²})/(∑_i = 1{[Re(χ_iobs)]² + [Im(χ_iobs)]²}), where N is the number of data points.