Dhifet Mondher, Belkhiria Mohamed Salah, Daran Jean-Claude, Nasri Habib
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 22;65(Pt 8):m967-8. doi: 10.1107/S1600536809028104.
As part of a systematic investigation for a number of Fe(II) porphyrin complexes used as biomimetic models for cytochrome P450, crystals of the title compound, [K(C(18)H(36)N(2)O(6))][Fe(II)(C(64)H(64)N(8)O(4))(HS)], were prepared. The compound exhibits a non-planar conformation with major ruffling and saddling distortions. The average equatorial iron-pyrrole N atom [Fe-N(p) = 2.102 (2) Å] bond length and the distance between the Fe(II) atom and the 24-atom core of the porphyrin ring (Fe-P(C)= 0.558 Å) are typical for high-spin iron(II) penta-coordinate porphyrinates. One of the tert-butyl groups in the structure is disordered over two sets with occupancies of 0.84 and 0.16.
作为对多种用作细胞色素P450仿生模型的Fe(II)卟啉配合物进行系统研究的一部分,制备了标题化合物[K(C₁₈H₃₆N₂O₆)][Fe(II)(C₆₄H₆₄N₈O₄)(HS)]的晶体。该化合物呈现出具有主要褶皱和鞍形畸变的非平面构象。赤道平面上铁-吡咯N原子的平均键长[Fe-N(p) = 2.102 (2) Å]以及Fe(II)原子与卟啉环的24原子核心之间的距离(Fe-P(C)= 0.558 Å)是高自旋五配位铁(II)卟啉酸盐的典型值。结构中的一个叔丁基在两组位置上无序分布,占有率分别为0.84和0.16。