Table 3.
EXAFS parameters from the final fits of the reported CmlA species.
| Fe-N/O | Fe•••C/N/O | Fe•••Fe | Fe•••C | GOF | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
| |||||||||||||||
| Fit | N | R(Å) | σ2(10−3) | N | R(Å) | σ2(10−3) | N | R(Å) | σ2(10−3) | N | R(Å) | σ2(10−3) | Eo | F | F' |
| WTR | 5 | 2.15 | 4.32 | 0.5 | 2.57 | 1.50 | 1 | 3.26 | 6.22 | 4 | 3.09 | 2.46 | −10.8 | 106 | 373 |
| 1 | 1.97 | 2.53 | 3 | 4.26 | 3.18 | ||||||||||
| WTRU | 4.5 | 2.13 | 5.32 | 1 | 3.32 | 2.08 | 4 | 3.15 | 3.78 | −0.65 | 399 | 623 | |||
| 0.5 | 1.95 | 2.39 | 3 | 3.56 | 3.41 | ||||||||||
| 3 | 4.31 | 4.35 | |||||||||||||
| WTRS | 5 | 2.13 | 4.53 | 1 | 3.25 | 3.49 | 5 | 3.07 | 3.30 | −12.9 | 123 | 417 | |||
| 1 | 1.94 | 1.12 | 4 | 4.31 | 1.91 | ||||||||||
| E377DR | 4 | 2.12 | 4.63 | 1 | 3.26 | 7.22 | 3 | 3.05 | 3.09 | −10.0 | 128 | 470 | |||
| 1 | 1.95 | 4.25 | 3 | 4.35 | 1.99 | ||||||||||
| WTOx a | 5 | 2.10 | 4.97 | 1 | 2.53 | 1.09 | 1 | 3.32 | 5.36 | 2 | 3.09 | 1.19 | - | - | - |
| 1 | 1.80 | 4.41 | 1 | 3.93 | 5.13 | ||||||||||
| 4 | 4.36 | 3.80 | |||||||||||||
a
Data from ref.19