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高氯酸[5,10,15,20-四-(4-氯苯基)卟啉]双(三丁基膦)钴(III)

[5,10,15,20-Tetra-kis(4-chloro-phen-yl)porphyrinato]bis-(tributyl-phosphine)cobalt(III) perchlorate.

作者信息

Etemadi Bijan, Kia Reza, Asadi Mozaffar, Mohammadi Kh

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 29;65(Pt 6):m698-9. doi: 10.1107/S1600536809019163.

Abstract

In the mol-ecule of the title compound, [Co(C(44)H(24)Cl(4)N(4)){(C(4)H(9))(3)P}(2)]ClO(4), the Co(III) centre has a slightly distorted octa-hedral geometry and is coordinated by four N atoms of the tetra-pyrrolic ring in the equatorial positions and two phosphine ligands in the axial positions. The dihedral angles between meso-substituted chloro-phenyl rings and the basic tetra-pyrrolic ring are 82.66 (9), 82.16 (7), 83.97 (11) and 76.87 (8)°. In one of the phosphine ligands, the two terminal methyl groups are disordered over two positions with refined site-occupancy ratios of 0.70 (7):0.30 (7) and 0.66 (2):0.34 (2). In the crystal structure, mol-ecules are linked together along the a axis by inter-molecular C-H⋯Cl inter-actions. The crystal structure is further stabilized by intra-molecular C-H⋯O and C-H⋯N inter-actions and inter-molecular C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物[Co(C₄₄H₂₄Cl₄N₄){(C₄H₉)₃P}₂]ClO₄的分子中,Co(III)中心具有略微扭曲的八面体几何构型,在赤道位置由四吡咯环的四个N原子配位,在轴向位置由两个膦配体配位。中位取代的氯苯环与基本的四吡咯环之间的二面角为82.66 (9)、82.16 (7)、83.97 (11)和76.87 (8)°。在其中一个膦配体中,两个末端甲基在两个位置上无序,精制的位点占有率比为0.70 (7):0.30 (7)和0.66 (2):0.34 (2)。在晶体结构中,分子通过分子间C-H⋯Cl相互作用沿a轴连接在一起。晶体结构通过分子内C-H⋯O和C-H⋯N相互作用以及分子间C-H⋯O和C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a9c/2969721/ea626cec31ab/e-65-0m698-fig1.jpg

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