Crystal structure of bis-(1-ethyl-1H-imidazole-κN(3))(5,10,15,20-tetra-phenyl-porphyrinato-κ(4)N)iron(II) tetra-hydro-furan monosolvate.
Crystal structure of bis-(1-ethyl-1H-imidazole-κN(3))(5,10,15,20-tetra-phenyl-porphyrinato-κ(4)N)iron(II) tetra-hydro-furan monosolvate.
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双(1-乙基-1H-咪唑-γN 3)(5,10,15,20-四苯基卟啉-γ4 N)四氢呋喃单溶剂化铁(II)的晶体结构
DOI：
10.1107/s2056989018006308
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发表时间：
2018-06-01
期刊：
影响因子：
--
通讯作者：
Li J
中科院分区：
文献类型：
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作者：
Ding W;Li J
标题中的铁（II）-卟啉配合物具有反演对称性，金属原子位于对称中心。铁（II）原子在对称的八面体几何构型中配位，赤道平面上是卟啉配体的四个吡咯N原子，轴向位置是两个1 - 乙基咪唑配体的N原子。1 - 乙基咪唑平面与最近的Fe—Np向量平面之间的二面角为24.5(?)°。
标题配合物[Fe(C₄₄H₂₈N₄)(C₅H₈N₂)₂]·C₄H₈O具有反演对称性，铁（II）原子位于对称中心。金属原子在对称的八面体几何构型中配位，赤道平面上是卟啉配体的四个吡咯N原子，轴向位置是两个1 - 乙基咪唑配体的N原子；该配合物与一个四氢呋喃溶剂分子一起结晶。平均Fe—Np（Np为卟啉N原子）键长为1.995(3) Å，轴向Fe—NIm（NIm为咪唑N原子）键长为1.994(2) Å。两个1 - 乙基咪唑配体相互平行。1 - 乙基咪唑平面与最近的Fe—Np向量平面之间的二面角为24.5°。在晶体中，唯一显著的分子间相互作用是C—H⋯π相互作用。
The title iron(II)–porphyrin complex possesses inversion symmetry with the metal atom located on a center of symmetry. The iron(II) atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethylimidazole ligands in the axial sites. The dihedral angle between the 1-ethylimidazole plane and the plane of the closest Fe—Np vector is 24.5(?)°. The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethylimidazole ligands in the axial sites; the complex crystallizes with a tetrahydrofuran solvent molecule. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.995 (3) Å and the axial Fe—NIm (NIm is an imidazole N atom) bond length is 1.994 (2) Å. The two 1-ethylimidazole ligands are mutually parallel. The dihedral angle between the 1-ethylimidazole plane and the plane of the closest Fe—Np vector is 24.5°. In the crystal, the only significant intermolecular interactions present are C—H⋯π interactions.