Crystallographic and refinement parameters of the iron complexes.
| Parameters | [(Hnaphydrazide)[Fe(2,6-pdc)2]]·H2O | [(H2binaphydrazide)[Fe(2,6-pdc)2]2]·4.5H2O |
|---|---|---|
| Empirical formula | C32H20FeN5O12 | C54H46Fe2N10O31 |
| Formula weight | 722.38 | 1442.71 |
| Crystal system | Triclinic | Monoclinic |
| a/Å | 7.808(6) | 16.017(3) |
| b/Å | 14.712(11) | 14.142(3) |
| c/Å | 14.844(12) | 26.803(6) |
| α/° | 117.038(16) | 90 |
| β/° | 92.27(2) | 90.347(9) |
| γ/° | 98.607(15) | 90 |
| V/Å3 | 1490(2) | 6071(2) |
| Z | 2 | 4 |
| ρ cal (g cm−3) | 1.610 | 1.578 |
| μ (mm−1) | 0.585 | 0.582 |
| F(000) | 738.0 | 2960.0 |
| Refl. collected | 35 011 | 71 609 |
| Independent refl. | 5296 | 5567 |
| Ranges (h, k, l) | −9 ≤ h ≤ 9 | −19 ≤ h ≤ 19 |
| −17 ≤ k ≤ 17 | −16 ≤ k ≤ 17 | |
| −17 ≤ l ≤ 17 | −32 ≤ l ≤ 32 | |
| Max θ (degree) | 25.204 | 25.409 |
| Data/restraints/parameter | 5296/0/462 | 5567/0/397 |
| GooF (F2) | 1.067 | 1.045 |
| R Indexes | 0.0415 | 0.0532 |
| [I > 2σ] | 0.0375 | 0.0404 |
| WR2 | 0.1062 | 0.1258 |