Table 1.
EXAFS determined Ni-ligand bond distances for HpUreF
| Ligand | R (Å) | σ2 (×103 Å2) | %R | χ2ν |
|---|---|---|---|---|
|
(N/O)1(N/O)3(NHis)1
| ||||
| 1 N/O | 2.18(4) | 9(2) | 5.81 | 10.8 |
| 3 N/O | 1.88(1) | 9(2) | ||
| 1 NHisa | 1.88(1) | 0(1) | ||
|
| ||||
|
(N/O)1(N/O)2(NHis)2
| ||||
| 1 N/O | 2.17(3) | 6(3) | 5.88 | 10.9 |
| 2 N/O | 1.89(1) | 6(3) | ||
| 2 NHisa | 1.89(1) | 4(2) | ||
|
| ||||
|
(N/O)1(N/O)1(Namide)1(NHis)1(NHis)1
| ||||
| 1 N/O | 2.18(2) | 4.3(5) | ||
| 1 N/O | 1.89(1) | 1.7(6) | 5.80 | 11.2 |
| 1 NHisa | 1.89(1) | 1.7(6) | ||
| 1 NHisb | 1.97(1) | 1.7(6) | ||
| 1 Namide | 1.82(1) | 1.7(6) | ||
|
| ||||
|
(N/O)2(NHis)2(OCO2)1
| ||||
| 2 N/O | 1.89(1) | 8(3) | 3.67 | 7.2 |
| 2 NHisa | 1.89(1) | 2.2(8) | ||
| 1 OCO2 | 2.16(2) | 6(2) | ||
|
| ||||
|
(N/O)1(Namide)1(NHis)1(OCO2)2
| ||||
| 1 N/O | 2.15(3) | 4(3) | ||
| 1 Namide | 1.95(2) | 0(2) | 2.58 | 6.3 |
| 1 NHisb | 1.84(3) | 5(3) | ||
| 2 OCO2 | 1.87(1) | 2(1) | ||
a
The histidine is bound through the ε nitrogen with α of 10°
b
The histidine is bound through the δ nitrogen with α of 0°