Table 1. Crystallographic Data for K[FeIII0iPr(OH)] · DMF and K[FeIIIH1iPr(OH)] · 1.5Et2O.
| K[FeIII0iPr(OH)] · DMF | K[FeIIIH1 iPr(OH)] · 1.5Et2O | |
|---|---|---|
| molecular formula | C18H35FeKN5O5 | C23H46.5FeKN6.5O5.5 |
| fw (g/mol) | 496.46 | 597.12 |
| T (K) | 100(2) | 100(2) |
| space group | P1 | C2/c |
| a (Å) | 9.337(3) | 25.175(3) |
| b (Å) | 10.853(4) | 9.8523(12) |
| c (Å) | 12.494(4) | 26.326(3) |
| α (deg) | 83.514(5) | 90 |
| β (deg) | 86.045(5) | 107.612(3) |
| γ (deg) | 83.144(5) | 90 |
| Z | 2 (Z′ = 1) | 8 (Z′ = 1) |
| V (Å3) | 1247.0(7) | 6223.6(13) |
| δcalcd (Mg/m3) | 1.322 | 1.275 |
| Ra | 0.0547 | 0.0300 |
| Rwb | 0.1603 | 0.0831 |
| GOFc | 1.018 | 1.020 |
a
R= [Σ‖ΔF‖Σ‖Fo].
b
Rw = {Σ[ω(Fo2 − Fc2)2]/Σ[ω(Fo2)2]}1/2.
c
Goodness of fit on F2.