Senge Mathias O, Davis Mia
SFI Tetrapyrrole Laboratory, School of Chemistry, Trinity College Dublin, Dublin 2, Ireland.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):m790. doi: 10.1107/S1600536810021434.
The title compound, [Ni(C(60)H(52)N(4))], is an example of a meso tetra-substituted nickel(II) porphyrin with both meso aryl and alkyl residues. The mol-ecule exhibits a planar macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (Δ24) of 0.01 Å and an average Ni-N bond length of 1.960 (2) Å. The Ni(II) atom lies on a center of inversion. The structure presents a rare example for a planar nickel(II) porphyrin, as meso-substituted nickel(II) porphyrins with either only meso-aryl or with meso-alkyl residues typically exhibit a ruffled conformation.
标题化合物[Ni(C₆₀H₅₂N₄)]是一种具有中芳基和烷基残基的内消旋四取代镍(II)卟啉的实例。该分子呈现出一个平面大环,24个大环原子与其最小二乘平面的平均偏差(Δ24)为0.01 Å,平均Ni-N键长为1.960(2) Å。Ni(II)原子位于对称中心上。该结构是平面镍(II)卟啉的一个罕见实例,因为仅具有中芳基或中烷基残基的中取代镍(II)卟啉通常呈现出褶皱构象。