Table 4.

Cd K-edge EXAFS data analysis for cadmium(II) penicillamine solutions at pH = 7.5 (H1-L1) and pH = 11.0 (H2 - N2, see Figure 4)^{a, b}

Solution	113Cd NMR (δ, ppm)	Cd-S			Cd-(N/O)			Rc
		N	R (Å)	σ2 (Å2)	N	R (Å)	σ2 (Å2)
H1	509	3.7	2.50	0.0081				11.8
		2.7	2.51	0.0058	1 f	2.25	0.0072	10.6
		2.2	2.52	0.0052	2 f	2.30	0.0098	10.6 (*)
I1	541	3.5	2.50	0.0067				12.1
		2.9	2.50	0.0055	1 f	2.25	0.0123	11.1
		2 f	2.52	0.0041	2 f	2.31	0.0074	11.6 (*)
J1	566	3.5	2.50	0.0063				10.4
		3.3	2.50	0.0059	1 f	2.28	0.0294	10.4
		2.5 f	2.52	0.0046	1.5 f	2.32	0.0083	10.6 (*)
K1	582	3.7	2.51	0.0061				10.3
		3.2	2.51	0.0052	1 f	2.28	0.0145	9.6 (*)
		2.5 f	2.52	0.0040	1.5 f	2.31	0.0069	10.0
L1	602	4.1	2.53	0.0061				9.0
		3.7	2.53	0.0055	1 f	2.29	0.0190	8.7
		3 f	2.53	0.0041	1 f	2.30	0.0046	9.4 (*)
H2	510	3.0	2.48	0.0064				13.7
		2.2	2.49	0.0044	1 f	2.24	0.0069	12.2
		1.8	2.50	0.0038	2 f	2.30	0.0090	11.9 (*)
I2	519	3.0	2.49	0.0057				13.7
		2.3	2.50	0.0040	1 f	2.24	0.0078	11.9
		2.1	2.50	0.0039	2 f	2.30	0.0137	12.0 (*)
J2	547	3.3	2.50	0.0060				9.6
		2.1	2.52	0.0030	1 f	2.27	0.0019	8.2
		2 f	2.52	0.0037	2 f	2.32	0.0078	8.5 (*)
K2	559	3.2	2.51	0.0056				11.1
		2.5	2.51	0.0042	1 f	2.27	0.0087	10.3
		2.5 f	2.51	0.0043	1.5 f	2.31	0.0129	10.5 (*)
L2	575	3.3	2.51	0.0055				9.7
		2.9	2.51	0.0048	1 f	2.32	0.0143	9.6
		2.5 f	2.52	0.0042	1.5 f	2.33	0.0100	9.8 (*)
M2	578	3.0	2.51	0.0045				8.8
		2.6	2.51	0.0037	1 f	2.27	0.0146	8.1
		2.5f	2.52	0.0036	1.5 f	2.31	0.0183	8.3 (*)
N2	578	3.4	2.51	0.0061				12.5
		2.5 f	2.53	0.0048	1.5 f	2.33	0.0062	11.8 (*)

^aEXAFS spectra of M1 and N1 are not available; (*) fits that are compatible with the observed ¹¹³Cd NMR chemical shifts and shown in Figure 4; f = fixed; S₀² = 0.87 f; N = coordination number/ frequency; k-fitting range = 3.5 - 12.0 Å^-1;

^bResidual (%).