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. 2021 Sep 3;12(40):13343–13359. doi: 10.1039/d1sc03905a

Summary of the fitting parameters used to model actinide L3-edge EXAFS spectra from An[(tBuNO)py]4 (An = Pu, 1; Np, 2).

Compound 1 2
O coordination number 4 (fixed) 3.9(3)
N(1) coordination number 4 (fixed) 3.9 (fixed)
N(2) coordination number 4 (fixed) 3.9 (fixed)
C coordination number 4 (fixed) 3.9 (fixed)
σ 2 (O) 0.004(1) 0.002(1)
σ 2 (N1) 0.004(1) 0.003(2)
σ 2 (N2) 0.003(2) 0.001(4)
σ 2 (C) 0.004(4) 0.002(7)
An–OO–NtBuNC5 2.239(4) 2.245(9)
An–NO–NtBuNC5 2.496(5) 2.528(14)
An⋯NO–NtBuNC5 3.29(2) 3.30(3)
An···CO–NtBuNC 3.41(3) 3.45(4)
S02 1.05(11) 1.05 (fixed)
E 0 −2.4(7) 2.9(6)
Total variables used 10 10
Independent variables available for the fitting range 16.44 17.04