Table 1. Selected bond distances and angles for the nickel carboxylate species 1, 2, 3, 4 and 5, and CO2-bound CODH.
1 10 | 2 11 | 3 | 4 10 | 5 | CODH8b | |
d Ni–C (Å) | 1.866(2) | 1.882(1) | 1.911(2) | 1.888(2) | 1.858(1) | 1.805(31) |
d M–O (Å) | — | 2.352(1) a | — | 1.897(2) b | 2.204(1) c | 2.030(18) c |
2.217(1) a | 2.066(1) c | |||||
2.459(1) a | ||||||
d C–O (Å) | 1.269(3) | 1.260(1) | 1.247(2) | 1.240(3) | 1.269(2) | 1.298(30) |
1.313(3) | 1.271(1) | 1.248(2) | 1.296(3) | 1.289(2) | 1.316(30) | |
Δd C–O (Å) | 0.044 | 0.011 | 0.001 | 0.056 | 0.020 | 0.018 |
∠O–C–O (°) | 119.6(2) | 124.0(1) | 128.4(2) | 123.7(2) | 116.5(1) | 117.2(26) |
aM = Na.
bM = Ni.
cM = Fe.