双（1-甲基-1H-咪唑-κN(3)）（5,10,15,20-四苯基-卟啉合-κ(4)N）铁（II）-1-甲基-1H-咪唑（1/2）的晶体结构
Crystal structure of bis-(1-methyl-1H-imidazole-κN (3))(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)iron(II)-1-methyl-1H-imidazole (1/2).
作者信息
Guan Ye, Powell Douglas R, Richter-Addo George B
机构信息
Department of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Pkwy, Norman, OK 73019, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Feb 11;71(Pt 3):m57-8. doi: 10.1107/S2056989015002364. eCollection 2015 Mar 1.
The title compound, [Fe(C44H28N4)(C4H6N2)2]·2C4H6N2, is a six-coordinate Fe(II)-porphyrinate complex with the metal located on a center of inversion and coordinated by two axial 1-methyl-imidazole ligands; the complex crystallizes as a 1-methyl-imidazole disolvate. The 1-methyl-imidazole group bonded to the Fe(II) atom [occupancy ratio 0.789 (4):0.211 (4)] and the unbound 1-methyl-imidazole mol-ecule [0.519 (4):0.481 (4)] were disordered. The average Fe-N(porphyrinate) bond length is 1.998 (3) Å and the axial Fe-N(imidazole) bond length is 1.9970 (12) Å. In the crystal, mol-ecules are linked into a three-mol-ecule aggregate by two weak C-H⋯N inter-actions.
标题化合物[Fe(C₄₄H₂₈N₄)(C₄H₆N₂)₂]·2C₄H₆N₂是一种六配位的亚铁卟啉配合物，金属位于对称中心，由两个轴向的1-甲基咪唑配体配位；该配合物以1-甲基咪唑二溶剂合物形式结晶。与Fe(II)原子相连的1-甲基咪唑基团[占有率0.789 (4):0.211 (4)]和未配位的1-甲基咪唑分子[0.519 (4):0.481 (4)]存在无序现象。Fe-N(卟啉)的平均键长为1.998 (3) Å，轴向Fe-N(咪唑)键长为1.9970 (12) Å。在晶体中，分子通过两个弱C-H⋯N相互作用连接成三聚体。
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