We have prepared a new μ-oxo iron(III) porphyrin complex based on the simplest possible porphyrin ligand, porphine. Our structure determination for {[Fe(porphine)]₂O}shows that it has a decidedly different molecular structure compared to all other μ-oxo iron(III)porphyrin complexes with two independent porphyrin ligands. The Fe–O–Fe angle is 153.21 (16)∘which leads to a small interplanar angle of 22.7∘between the two porphine rings. This also leads to C…C nonbonded contact as short as 3.35Å between the two rings. The twist angle of the two porphine rings is 16.8∘. Other structural features are in general accord with those expected for high-spin iron(III) porphyrinates.

中文翻译：

---

最简单的铁 μ-oxo 物种。{[Fe(porphine)]2O}的分子结构

我们准备了一个新的μ基于最简单的卟啉配体卟啉的-氧代铁 (III) 卟啉络合物。我们对 {[Fe(porphine)] ₂ O} 的结构测定表明，与所有其他分子结构相比，它具有明显不同的分子结构μ-oxo 铁 (III) 卟啉与两个独立的卟啉配体复合。Fe–O–Fe 角为 153.21 (16)∘这导致 22.7 的小平面角∘在两个卟啉环之间。这也导致 C…两个环之间的 C 非键接触短至 3.35Å。两个卟啉环的扭转角为 16.8∘. 其他结构特征通常与高自旋铁 (III) 卟啉的预期一致。