. Author manuscript; available in PMC: 2013 Mar 25.

Published in final edited form as: J Am Chem Soc. 2011 Mar 15;133(13):4865–4873. doi: 10.1021/ja1093919

Table 1.

EXAFS simulations.

Fit Number	Path	CN	R(Å)	σ²	F
1	Cu to N/O	3	1.96	0.00697	0.43
2	Cu to N/O	4	1.969	0.00956	0.47
3	Cu to N/O	3	1.95	0.00695	0.37
	Cu to N/O	1	2.45	0.00521
4	Cu to N/O	4	1.95	0.00954	0.42
	Cu to N/O	1	2.45	0.00553
5	Cu to N/O	3	1.95	0.00697	0.32
	Cu to N/O	1	2.45	0.00512
	Cu to N/C (MS)	4	4.17	0.0031
6	Cu to N/O	4	1.95	0.00956	0.37
	Cu to N/O	1	2.45	0.00538
	Cu to N/C (MS)	4	4.17	0.00305
7	Cu to N/O	4	1.95	0.00955	0.36
	Cu to N/O	1	2.44	0.00539
	Cu to N/O	1	3.28	0.00617
	Cu to N/C (MS)	4	4.16	0.0029
8	Cu to N/O	3	1.95	0.00694	0.3
	Cu to N/O	1	2.45	0.00486
	Cu to N/O	1	3.28	0.00594
	Cu to N/C (MS)	4	4.16	0.00299
9	Cu to N/O	1	1.94	0.00154	0.29
	Cu to N/O	1	2.06	0.00246
	Cu to N/O	1	1.91	0.00577
	Cu to N/O	1	2.46	0.00495
	Cu to N/O	1	3.28	0.00628
	Cu to N/C (MS)	4	4.17	0.00323