Table 4.
DL-EXCURV EXAFS fit of the model compounds.[a]
| Comp. | Path | Nfix | R [Å] | Rcryst [Å] | ΔR [Å] | σ2 [Å2×10−3] | E0 [eV] | Rfit [%] | Fit index [%] |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Ru−N | 1 | 1.753(7) | 1.714 | 0.039 | 1.44±0.80 | −4.7±0.6 | 18.66 | 0.24 |
| Ru−O | 2 | 2.032(6) | 2.024 | 0.008 | 2.25±0.24 | ||||
| Ru−Cl | 3 | 2.374(3) | 2.358 | 0.016 | |||||
| Ru−C | 2 | 2.73(2) | 2.826 | −0.096 | 2.56±1.76 |
[a] Nfix is the fixed coordination number, R is the average distance, Rcryst is the crystallographic value, ΔR is the difference between R and Rcryst, σ2 is the Debye–Waller factor, E0 is the residual shift of the edge energy, Rfit is the quality of the fit, fit index is the sum of the square of the residuals.