The X-ray Structure of [W(CO)4(Fe(C5H4P(3,5-C6H3(CF3)2)2)2)]

IF 0.7 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2026-04-06 DOI:10.1007/s10870-026-01091-8

Alec J. Miner, Eric W. Reinheimer, Chip Nataro

引用次数: 0

Abstract

The structure of [W(CO)₄(Fe(C₅H₄P(3,5-C₆H₃(CF₃)₂)₂)₂)] [monoclinic, a = 14.5649(2), b = 17.5493(2), c = 18.7543(2), β = 96.4520(10) space group P2₁/n] has been determined. The C₅ rings of the ferrocenyl backbone are staggered to accommodate the P–W–P bite angle of the pseudo-octahedral tungsten center. There is a strong intermolecular π-stacking interaction observed between the aromatic rings of one 3,5-C₆H₃(CF₃)₂ group in each molecular unit.

Graphical Abstract

Using microwave heating, the combination of [W(CO)₆] and [(Fe(C₅H₄P(3,5-C₆H₃(CF₃)₂)₂)₂)] (d3,5-CF₃ppf) yields [W(CO)₄(d3,5-CF₃ppf)] which was structurally characterized

Abstract Image

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[W(CO)4(Fe(C5H4P(3,5- c6h3 (CF3)2)2)2) 2)]的x射线结构

确定了[W(CO)4(Fe(C5H4P(3,5- c6h3 (CF3)2)2)2)][单斜晶，a = 14.5649(2), b = 17.5493(2), c = 18.7543(2), β = 96.4520（10）空间群P21/n]的结构。二茂铁基主链的C5环错开以适应伪八面体钨中心的P-W-P咬合角。在每个分子单元中，有一个3,5- c6h3 (CF3)2基团的芳环之间存在很强的分子间π堆积相互作用。[W(CO)6]与[(Fe(C5H4P(3,5- c6h3 (CF3)2)2)2)] （d3,5-CF3ppf）结合，经微波加热，得到了结构表征的[W(CO)4(d3,5-CF3ppf)]

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.