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The correct assignment of stereochemistry in di‐μ‐dichlorido‐bis{bis[2‐(5‐benzylsulfonyl)‐3‐fluoro‐2‐(pyridin‐2‐yl)phenyl‐κ2N,C1]iridium(III)} toluene monosolvate

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The title complex, [Ir2(C18H13FNO2S)4Cl2]·C7H8, was crystallized from dichloromethane solution under a toluene atmosphere. It is a dimeric complex in which each of the two IrIII centres is octahedrally coordinated by two bridging chloride ligands and by two chelating cyclometalated 2‐(4‐benzylsulfonyl‐2‐fluorophenyl)pyridine ligands. The crystal structure analysis unequivocally establishes the trans disposition of the two cyclometalated ligands bound to each IrIII centre, contrary to our previous hypothesis of a cis disposition. The latter was based on the 1H NMR spectra of a series of dimeric benzylsulfonyl‐functionalized dichloride‐bridged iridium complexes, including the compound described in the present work [Ragni et al. (2009). Chem. Eur. J. 15, 136–148]. The toluene solvent molecules, embedded in cavities in the crystal structure, are highly disordered and could not be modelled successfully; their contribution was removed from the refinement using the SQUEEZE routine in the program PLATON [Spek (2009). Acta Cryst. D65, 148–155].
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Document Type: Research Article

Publication date: May 15, 2013

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