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Trend-Analysis of Solid-State Structures: Low-Energy Conformational ‘Reactions’ Involving Directed and Coupled Movements in Half-Sandwich Compounds [CpFe(CO){C(=O)R}PPh3 ]

Brunner, Henri ; Tsuno, Takashi


Trends in solid-state structures were used to identify preferred intramolecular movements in half-sandwich compounds [CpFe(CO){C(=O)R}PPh3]. Three weak interactions were analyzed: 1)the CH/ donor-acceptor interaction of phenyl rings in the PPh3 ligand, 2)the Ph-PPh3 face-on Cp stabilization, and 3)the hydrogen bond between the oxygen atom of the acyl group and an ortho-C-H bond of one of the PPh3 ...


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