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. Author manuscript; available in PMC: 2021 Jan 2.
Published in final edited form as: Chemistry. 2019 Dec 3;26(1):249–258. doi: 10.1002/chem.201903808

Table 4.

Cu(II) EXAFS and XANES fitting parameters at pH 7.5

Construct Model Cu-O/N* R Å Cu-O/N* σ2 10−3 Å2 Cu-Imid R Å Cu-Imid σ2 10−3 Å2 Avg. bond length Å 1s→3d area
GRα3D H3 His3O1 1.966 5.7 1.935 13.28 1.943 8.27
GRα3D H4 His3 N1 1.881 4.4 1.972 6.23 1.949 6.89
GRα3D H2DH His3O1 1.981 1.5 1.933 8.06 1.945 5.41
GRα3D H3D His3O1 1.989 2.0 1.933 7.86 1.947 3.09