Table 1.
Selected Bond Distances (Å) and Bond Angles (deg) from the X-ray Structures of Monoiron(II) Hydroquinonate Complexes 1A–D and 1F.
| 1A•CH2Cl2 | 1B•2CH2Cl2 | 1C | 1D•[HNEt3]OTf | 1F | |
|---|---|---|---|---|---|
| Fe-O1 | 1.961(1) | 1.937(4) | 1.927(1) | 1.931(3) | 1.893(1) |
| Fe-N1 | 2.122(1) | 2.131(5) | 2.108(1) | 2.130(4) | 2.085(1) |
| Fe-N3 | 2.148(2) | 2.089(5) | 2.093(1) | 2.129(4) | 2.085(1) |
| Fe-N5 | 2.147(2) | 2.185(5) | 2.228(1) | 2.186(4) | 2.285(1) |
| Fe-L a | 2.139(2) | 2.079(4) | 2.103(1) | 2.317(3) | 2.341(2) |
| O1-C46 | 1.341(2) | 1.303(7) | 1.304(2) | 1.337(6) | 1.338(2) |
| O2-C49 | 1.370(2) | 1.370(7) | 1.371(6) | 1.390(2) | |
| O1-Fe-N1 | 110.64(5) | 129.5(2) | 128.04(5) | 128.5(2) | 134.21(6) |
| O1-Fe-N3 | 153.34(5) | 139.9(2) | 140.01(5) | 130.0(2) | 131.98(6) |
| O1-Fe-N5 | 94.78(5) | 97.9(2) | 100.61(4) | 115.6(1) | 101.45(5) |
| O1-Fe-LX | 88.90(5) | 86.4(2) | 85.28(4) | 75.7(1) | 89.04(5) |
| N1-Fe-N3 | 95.65(6) | 90.6(2) | 91.50(4) | 94.2(1) | 93.61(5) |
| N1-Fe-N5 | 92.11(5) | 90.2(2) | 88.25(4) | 89.4(2) | 85.41(5) |
| N3-Fe-N5 | 79.38(6) | 81.2(2) | 84.39(4) | 85.6(2) | 83.65(5) |
| LX -Fe-N1 | 90.69(6) | 87.4(2) | 91.32(4) | 85.3(1) | 89.01(5) |
| LX -Fe-N3 | 95.37(6) | 95.3(2) | 88.47(4) | 84.5(1) | 87.53(5) |
| LX -Fe-N5 | 174.27(6) | 175.7(2) | 172.83(4) | 168.4(1) | 169.24(5) |
| τ-value b | 0.35 | 0.60 | 0.55 | 0.64 | 0.58 |
a
L is the N or O atom of the pendant donor of the HQ anion.
b
For a definition of the τ-value, see reference 24. A five-coordinate complex with ideal square-pyramidal geometry would have a τ-value of 0.0, while those with ideal trigonal bipyramidal geometry would have a value of 1.0.