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* |
| σ2 (Å2) | 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 |