EXAFS fit parameters and statistics for Bath-pMMO-2021.

Fit	Patha	N	R (Å)	±	σ 2 (Å2)	±	ΔE0b	χ c
A.1	Cu–N/O (A)	4	1.995	0.011	0.00367	0.00089	−2.294	93.72
	Cu–C (B)	4	3.014	0.047	0.00921	0.00599
	Cu–Nhis (C)	10	4.188	0.038	0.00666	0.00415
A.2	Cu–N/O (A)	4	1.992	0.008	0.00344	0.00061	−3.615	46.63
	Cu–C (B)	4	2.972	0.030	0.00841	0.00378
	Cu–Nhis (C)	10	4.177	0.028	0.00653	0.00285
	Cu–O (D)	4	2.563	0.023	0.01020	0.00345
A.3	Cu–N/O (A)	4	1.992	0.008	0.00347	0.00064	−3.652	52.35
	Cu–C (B)	6	2.978	0.034	0.01347	0.00488
	Cu–Nhis (C)	10	4.178	0.030	0.00671	0.00310
	Cu–O (D)	4	2.565	0.022	0.00918	0.00329
A.4	Cu–N/O (A)	4	2.000	0.008	0.00356	0.00064	−1.808	50.08
	Cu–C (B)	6	3.020	0.035	0.01339	0.00493
	Cu–Nhis (C)	10	4.189	0.029	0.00677	0.00310
	Cu–O (D)	2	2.572	0.021	0.00294	0.00237
	Cu–C (E)	4	3.383	0.046	0.01029	0.00700
A.5	Cu–N/O (A)	4	1.999	0.011	0.00266	0.00072	−1.330	62.93
	Cu–C (B)	6	3.020	0.068	0.01644	0.00824
	Cu–NN (C)	10	4.194	0.035	0.00677	0.00353
	Cu–O (D)	2	2.551	0.074	0.00771	0.01631
	Cu–C (E)	4	3.390	0.055	0.01010	0.00795
	Cu–Cu	0.25	2.569	0.110	0.00437	0.00684

^aThe scattering paths in parentheses correspond to those depicted in Fig. 8.

^bThe fitted ΔE₀ values are shifts in eV relative to the set E₀ value of 8990.0 eV.

^cThe reduced χ² is normalized for the number of variables used in the fit.