[5,15-双(2-甲基丙基)卟啉inato]镍(II)
[5,15-Bis(2-methyl-prop-yl)porphyrinato]nickel(II).
作者信息
Senge Mathias O
机构信息
School of Chemistry, SFI Tetrapyrrole Laboratory, Trinity Biomedical Sciences Institute, 152-160 Pearse Street, Trinity College Dublin, Dublin 2, Ireland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1191-2. doi: 10.1107/S1600536812035726. Epub 2012 Aug 23.
The title compound, [Ni(C(28)H(28)N(4))], crystallizes with two independent mol-ecules in the unit cell, one of which is located on an inversion center. Both macrocycles exhibit a planar conformation with average deviation from the least-squares-plane of the 24 macrocycle atoms of Δ24 = 0.043 Å for the first mol-ecule and 0.026 Å for the mol-ecule located on an inversion center. The average Ni-N bond lengths are 1.955 (2) and 1.956 (2) Å in the two mol-ecules. The mol-ecules form π-π dimers of inter-mediary strength with a mean plane separation of 3.36 (2) Å.
标题化合物[Ni(C₂₈H₂₈N₄)]在晶胞中以两个独立分子结晶，其中一个位于对称中心上。两个大环均呈现平面构象，第一个分子中24个大环原子与最小二乘平面的平均偏差Δ₂₄ = 0.043 Å，位于对称中心上的分子的该偏差为0.026 Å。两个分子中Ni-N的平均键长分别为1.955(2) Å和1.956(2) Å。这些分子形成中等强度的π-π二聚体，平均平面间距为3.36(2) Å。
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