Table 3.
EXAFS fitting results for 5(b) filtered data. Best fits are shown in bold.
| Fit # | Fe=O | Fe-O/N | Fe-N/O | Fe---C | F | F′ | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| N | R | σ2 | N | R | σ2 | N | R | σ2 | N | R | σ2 | |||
| 13 | 6 | 1.99 | 13.8 | 142 | 0.1169 | |||||||||
| 14 | 5 | 1.99 | 10.0 | 111 | 0.0911 | |||||||||
| 15 | 4 | 2.00 | 6.0 | 1 | 2.23 | 1.9 | 75 | 0.0740 | ||||||
| 16 | 0.9 | 1.66 | 4.8 | 4 | 1.97 | 6.6 | 38 | 0.0377 | ||||||
| 17 | 0.9 | 1.67 | 5.3 | 4 | 1.97 | 4.9 | 1 | 2.16 | 2.4 | 31 | 0.0382 | |||
| 18 | 5 | 1.99 | 9.8 | 2 | 2.81 | 1.9 | 98 | 0.1223 | ||||||
| 3 | 3.00 | 1.0 | ||||||||||||
| 19 | 4 | 2.00 | 6.3 | 1 | 2.25 | 3.8 | 2 | 2.79 | 2.5 | 60 | 0.1011 | |||
| 3 | 3.00 | 1.4 | ||||||||||||
| 20 | 0.9 | 1.66 | 5.0 | 4 | 1.98 | 6.6 | 2 | 2.78 | 3.2 | 17 | 0.0295 | |||
| 3 | 2.99 | 2.4 | ||||||||||||
| 21 | 0.9 | 1.66 | 5.4 | 4 | 1.97 | 5.7 | 1 | 2.17 | 8.4 | 2 | 2.78 | 4.4 | 18 | 0.0468 |
| 3 | 2.99 | 2.7 | ||||||||||||
k range = 2 – 12.4 Å−1, resolution ~ 0.15 Å, back transform range 0.85–3.1 Å. N = 104, nidp = 14.7. See footnote of Table S3 for more information.