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. 2023 Feb 9;8(Pt 2):x230107.
doi: 10.1107/S2414314623001074. eCollection 2023 Feb.

(η5-Carb-oxy-cyclo-penta-dien-yl)(η7-cyclo-hepta-trien-yl)manganese(I) hexa-fluorido-phosphate

Reinhard Thaler  1 , Klaus Wurst  1 , Benno Bildstein  1
Affiliations

(η5-Carb-oxy-cyclo-penta-dien-yl)(η7-cyclo-hepta-trien-yl)manganese(I) hexa-fluorido-phosphate

Reinhard Thaler et al. IUCrdata. .

Abstract

The title compound, [Mn(C7H7)(C6H5O2)]PF6 or [(Cht)Mn(Cp'CO2H)]PF6, with Cht = cyclo-hepta-trienyl and Cp' = C5H4, is an air-stable, purple, heteroleptic, cationic sandwich complex with manganese in oxidation state +I and π-coordinating cyclo-hepta-trienyl and cyclo-penta-dienyl ligands. The latter ligand carries the carb-oxy-lic acid functionality. This 'tromancenium-8-carb-oxy-lic acid' with hexa-fluorido-phosphate as counter-ion represents a rare case of a cationic carb-oxy-lic acid. Structurally, this organometallic carb-oxy-lic acid displays the common motif of planar Osp 2⋯H-Osp 3/Osp 3-H⋯Osp 2 hydrogen-bonded carb-oxy-lic acid dimers with anti-oriented metallocenyl moieties, the cationic charge of which is balanced by octa-hedrally shaped hexa-fluorido-phosphate anions. Positional disorder is observed in the cyclo-hepta-trienyl ring and the PF6 - anion.

Keywords: carb­oxy­lic acid; cationic carb­oxy­lic acid; crystal structure; heteroleptic sandwich complexes; manganese; sandwich complexes; tromancenium.

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Figures

Figure 1
Figure 1
The mol­ecular entities of the title compound, with displacement ellipsoids drawn at the 50% probability level. The left cation and the anion at the bottom are related to their counterparts by inversion symmetry (symmetry operation −x + 1, −y + 1, −z + 1). For clarity, only one of the two positionally disordered parts of the cyclo­hepta­trienyl rings is shown. Likewise, for the disordered PF6 − anion, only the part with the higher occupancy is displayed.
Figure 2
Figure 2
The packing along the crystallographic b axis, displaying alternating layers of tromancenium carb­oxy­lic acid dimers and hexa­fluorido­phosphate counter-ions.
See this image and copyright information in PMC

References

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