Table 1.
Crystal data and structure refinement for the iron and manganese complexes.
| Formula | {(Bu4N)2[FeIIH3buea]2}·4MeCN C82H168Fe2N20O6 | {(Bu4N)2[FeIIH22]2}·MeCN C74H152Fe2N16O6 | K[MnIIIH1(OH)]·1.5DMA C23H46.5KMnN6.5O5.5 |
|---|---|---|---|
| Formula weight | 1642.06 | 1473.82 | 596.21 |
| T (K) | 100(2) | 100(2) | 100(2) |
| Crystal system | triclinic | triclinic | monoclinic |
| Space group | P1̄ | P1̄ | C2/c |
| a (Å) | 12.9193(9) | 11.9559(10) | 25.218(5) |
| b (Å) | 14.3082(10) | 13.2362(11) | 9.854(2) |
| c (Å) | 14.6513(10) | 14.5757(12) | 26.226(6) |
| α (°) | 89.7650(10) | 105.902(2) | 90.00 |
| β (°) | 71.6280(10) | 96.099(2) | 107.247(5) |
| γ (°) | 71.03600(10) | 103.706(2) | 90 |
| Z | 1 | 1 | 8 |
| V (Å3) | 2416.14 | 2118.7 | 6224 |
| DCalc (g/cm3) | 1.129 | 1.155 | 1.273 |
| Independent reflections | 14579 | 12777 | 6108 |
| R1 | 0.0575 | 0.0751 | 0.0360 |
| wR2 | 0.1759 | 0.1741 | 0.0971 |
| Goodness-of-fit (GOF) on F2 | 1.061 | 1.064 | 1.012 |