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. 2022 Jan 1;29(Pt 1):30–36. doi: 10.1107/S1600577521012005

Table 3. EXAFS refined metrical parameters obtained for the best fit of the soluble Pu–DOTA hexanuclear clusters.

CN is the coordination number. Errors in brackets only reflect the mathematical uncertainty provided by the proposed model. Asterisks (*) indicate fixed values.

E 0 = −0.9 (20) eV, S 0 2 = 0.75 (15) Pu–μ3O2− Pu–(μ3OH, Oc, H2O) Pu–C Pu–Pu1 Pu–Pu2
CN* 2* 6* 2* 4* 1*
σ22) 0.004 (2) 0.008 (2) 0.003 (4) 0.006 (2) 0.003 (3)
R (Å) 2.18 (2) 2.40 (2) 3.35 (3) 3.77 (2) 5.3 (3)
R XRD (Å) 2.20 2.36 3.34 3.76 5.31