Table 2. Selected bond lengths (Å) and bond angles (°) of 6 (average of two molecules) and [Tol,PhDHPy]Ni(PMe3)+7a.
| 6[red] | 6[ox] | [Tol,PhDHPy]Ni(PMe3)+ | |
| Ni–O | 1.925(3) | 1.895(3) | — |
| Ni–N2 | 1.897(4) | 1.888(4) | 1.864(2) |
| Ni–N6 | 1.835(4) | 1.864(3) | 1.860(2) |
| Ni–N10 | 1.908(4) (N9) | 1.880(4) | 1.869(2) |
| N2–N3 | 1.369(6) | 1.301(5) | 1.302(2) |
| N3–C4 | 1.332(6) | 1.367(5) | 1.348(2) |
| C25–C26 | 1.385(6) | 1.342(7) | 1.346(3) |
| C8–N9 | 1.362(6) | 1.373(6) | 1.342(3) |
| N9–N10 | 1.422(5) | 1.311(5) | 1.314(2) |
| N2–Ni–N10 | 168.2(2) (N9) | 163.4(2) | 165.85(7) |
| N2–Ni–N6 | 89.7(2) | 91.5(2) | 92.65(7) |
| N10–Ni–N6 | 81.8(2) (N9) | 90.5(2) | 89.24(7) |
| Ni–O–Ni | 135.8(2) | 135.8(2) | — |