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Δ-双[（±）-2-（4-异丙基-4,5-二氢-恶唑-2-基）苯酚根合-κO，O']（1,10-菲咯啉-κN，N'）钌（III）六氟磷酸酯

Δ-Bis[()-2-(4-isopropyl-4,5-di-hydro-oxazol-2-yl)phenolato-κ , ](1,10-phenanthroline-κ ,')ruthenium(III) hexa-fluorido-phosphate.

作者信息

Kelani Monsuru T, Muller Alfred, Lammertsma Koop

机构信息

Department of Chemical Sciences, University of Johannesburg, Auckland Park, 2006, Johannesburg, South Africa.

出版信息

IUCrdata. 2024 Sep 17;9(Pt 9):x240893. doi: 10.1107/S2414314624008939. eCollection 2024 Sep.

DOI:10.1107/S2414314624008939
PMID:39371669
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11451036/
Abstract

The title compound, [Ru(CHNO)(CHN)]PF crystallizes in the tetra-gonal Sohnke space group 422. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central Ru atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octa-hedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is -0.003 (14)]. Both the complex cation and the disordered PF counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C-H⋯O and C-H⋯F inter-actions.

摘要

标题化合物[Ru(CHNO)(CHN)]PF以四方Sohnke空间群422结晶。两个双齿手性水杨基恶唑啉配体和菲咯啉共配体通过N、O和N、N原子对与中心Ru原子配位，分别形成89.76 (15)°和79.0 (2)°的咬角。双齿配体的八面体配位导致螺旋桨状形状，这在配合物上诱导了以金属为中心的手性，具有右手(Δ)绝对构型[Flack参数值为-0.003 (14)]。配合物阳离子和无序的PF抗衡阴离子都位于二重旋转轴上。除了库仑力外，晶体凝聚还通过非经典的C-H⋯O和C-H⋯F相互作用得以确保。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a8a/11451036/77fdff7c6749/x-09-x240893-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a8a/11451036/3fb4adc1f9fa/x-09-x240893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a8a/11451036/77fdff7c6749/x-09-x240893-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a8a/11451036/3fb4adc1f9fa/x-09-x240893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a8a/11451036/77fdff7c6749/x-09-x240893-fig2.jpg

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