Selected geometric parameters of dinuclear FeII and NiII (green rows) helicates at 100 K, except for 4·5NO2CH3 at 253 K. HS Fe(ii) in bold text, octahedral Ni(ii) in blue text.
| Complexes | Space group | 〈Fe–N〉 (Å) | Σ° | Spin state | M⋯M (Å) |
|---|---|---|---|---|---|
| 1·solvents | P1̄ | 1.967, 1.962 | 60.9, 59.7 | LS, LS | 10.0361(6) |
| 1Ni·solvents | P21/n | 2.097, 2.076 | 75.2, 70.2 | S = 1 | 10.313(1) |
| 2·solvents | Pbca | 1.972, 1.971 | 58.7, 57.8 | LS, LS | 10.1619(9) |
| 2Ni·solvents | Ibca | 2.083 | 69.7 | S = 1 | 10.3891(8) |
| 3·6CH3CN·C4H10O | P1̄ | 1.980, 1.980 | 62.0, 61.5 | LS, LS | 10.3227(7) |
| 4·solvents | P1̄ | 1.973, 1.964 | 57.0, 56.8 | LS, LS | 10.018(1) |
| 4·5.5NO2CH3 | P1̄ | 1.967, 2.058 | 62.0, 77.2 | LS, mixLS/HS | 10.1554(7) |
| 4·5NO2CH3 (253 K) | P1̄ | 1.980, 2.181 | 63.0, 95.3 | LS, HS | 10.2281(9) |
| 5·solvents | C2/c | 1.953 | 57.0 | LS | 9.9711(9) |