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. Author manuscript; available in PMC: 2009 Dec 1.
Published in final edited form as: J Inorg Biochem. 2008 Aug 6;102(12):2103–2113. doi: 10.1016/j.jinorgbio.2008.07.016

Table 3.

Experimentally derived EPR parameters for {CuII(PrP(106–114))}, Cu(M109I), and Cu(M112I), [(LSEP)CuII(H2O)(OClO3)]+, [(pbnap)Cu-OMe]+ and the computationally determined EPR parameters for [(LSEP)CuII(H2O)(OClO3)]+, [(pbnap)Cu-OMe]+, [CuII(KH)O]+, [CuII(KH)N]+, and [CuII(GKH)]+.

g g A(MHz)
{CuII(PrP(106–114))} 2.223 2.028 459a
Cu(M109I) 2.221 2.014 462a
Cu(M112I) 2.223 2.029 456a
[(LSEP)CuII(H2O)(OClO3)]+
experimentalb 2.23 2.03 476a
calculatedc 2.188 2.055 −503
[(pbnap)Cu-OMe]+
experimentald 2.244 2.060 460a
calculatedc 2.183 2.055 −486
[CuII(KH)O]+ 2.185 2.046 −491
[CuII(KH)N]+ 2.114 2.034 307
[CuII(GKH)]+ 2.1s31 2.038 −449
a)

The sign of the hyperfine coupling constant was not determined.

b)

The EPR data is taken from reference 57.

c)

This study.

d)

The EPR data is taken from reference 58.