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μ-氧代-双-[氯代(4,4'-二叔丁基-2,2'-联吡啶-κN,N')二氧化钼(VI)] 0.2水合物

μ-Oxido-bis-[chlorido(4,4'-di-tert-butyl-2,2'-bipyridine-κN,N')dioxido-molybdenum(VI)] 0.2-hydrate.

作者信息

Gomes Ana C, Fernandes José A, Gamelas Carla A, Gonçalves Isabel S, Almeida Paz Filipe A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1738-9. doi: 10.1107/S1600536811046952. Epub 2011 Nov 12.

DOI:10.1107/S1600536811046952
PMID:22199539
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238648/
Abstract

The title hydrate, [Mo(2)Cl(2)O(5)(C(18)H(24)N(2))(2)]·0.2H(2)O, has been isolated as the oxidation product of [Mo(η(3)-C(3)H(5))Cl(CO)(2)(di-t-Bu-bipy)] (where di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine). A μ-oxide ligand bridges two similar MoCl(di-t-Bu-bipy)O(2) units, having the terminal oxide ligands mutually cis, and the chloride and μ-oxide trans to each other. In the binuclear complex, the coordination geometries of the metal atoms can be described as highly distorted octa-hedra. Individual complexes co-crystallize with a partially occupied water mol-ecule of crystallization (occupancy factor = 0.20; H atoms not located), with the crystal packing being mediated by the need to effectively fill the available space. A number of weak C-H⋯O and C-H⋯Cl inter-actions are present.

摘要

标题水合物[Mo₂Cl₂O₅(C₁₈H₂₄N₂)₂]·0.2H₂O是[Mo(η³-C₃H₅)Cl(CO)₂(di-t-Bu-bipy)]（其中di-t-Bu-bipy为4,4'-二叔丁基-2,2'-联吡啶）的氧化产物。一个μ-氧配体桥连两个相似的MoCl(di-t-Bu-bipy)O₂单元，末端氧配体相互顺式排列，氯和μ-氧相互反式排列。在双核配合物中，金属原子的配位几何构型可描述为高度扭曲的八面体。单个配合物与一个部分占据的结晶水分子共结晶（占有率因子 = 0.20；氢原子未定位），晶体堆积是由有效填充可用空间的需要介导的。存在许多弱的C-H⋯O和C-H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f58/3238648/8ee924a39fc5/e-67-m1738-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f58/3238648/aa51d2dde6e1/e-67-m1738-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f58/3238648/8ee924a39fc5/e-67-m1738-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f58/3238648/aa51d2dde6e1/e-67-m1738-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f58/3238648/8ee924a39fc5/e-67-m1738-fig2.jpg

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