Table 6.
EXAFS Fitting Results for [MnII(TpPh2)(DMF)3](OTf).a
| Fitb | Mn-O
|
Mn-N
|
Mn-N
|
Mn-B
|
Mn-C
|
F-factor | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| n | r(Å) | σ2 (Å2)c | n | r(Å) | σ2 (Å2)c | n | r(Å) | σ2 (Å2)c | n | r(Å) | σ2 (Å2)c | n | r(Å) | σ2 (Å2)c | ||
| 1 | 6 | 2.18 | 7.41 | 0.612 | ||||||||||||
| 2 | 3 | 2.14 | 3.29 | 3 | 2.26 | 2.58 | 0.598 | |||||||||
| 3 | 3 | 2.14 | 3.53 | 3 | 2.26 | 2.84 | 5 | 3.10 | 3.14 | 0.552 | ||||||
| 10 | 3 | 2.16 | 3.88 | 3 | 2.27 | 3.53 | 3 | 3.08 | 0.60 | 1 | 3.30 | 6.05 | 0.535 | |||
| 15 | 3 | 2.16 | 3.42 | 3 | 2.28 | 3.17 | 4 | 3.09 | 2.09 | 1 | 3.33 | 2.40 | 6 | 3.49 | 5.51 | 0.534 |
a
Fourier transform range is 2 – 14.5 Å (resolution 0.126 Å).
b
The fit number refers to all fits considered; see ESI Table S11.
c
Debye-waller factors are scaled × 103.