Table 1.
Coordination/Path | R(Å)a | σ2(Å2)b | E0 (eV) | Fc |
---|---|---|---|---|
2 Cu-N | 2.00 | 248 | ||
2 Cu-S | 2.24 | 281 | ||
2 Cu-Cu | 3.11 | 829 | −3.38 | 0.18 |
2 Cu-C | 2.84 | 129 | ||
4 Cu-C-Ne | 3.02 | 129d | ||
8 Cu-C-Ne | 4.42 | 640 |
The estimated standard deviations for the distances are in the order of ± 0.02 Å.
The σ2 values are multiplied by 105.
Error is given by Σ[(χobsd − χcalcd)2 k6]/Σ[(χobsd)2k6].
The σ2 value for the the Cu-C (single scattering) and Cu-C-N (multiple scattering) paths were fixed to be the same value.