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 IrII centres is octahedrally coordinated by two bridging chloride ligands and by two chelating cyclometallated 2-(5-benzylsulfonyl)- 3-fluoro-2-(pyridin-2-yl)phenyl ligands. The crystal structure analysis unequivocally establishes the trans disposition of the two cyclometallated ligands bound to each IrII 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].

The correct assignment of stereochemistry in di-μ-dichlorido-bisbis[2- (5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ2 N,C 1]iridium(III) toluene monosolvate

MESTO, ERNESTO;LACALAMITA, MARIA;RAGNI, ROBERTA;FARINOLA, Gianluca Maria
2013

Abstract

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 IrII centres is octahedrally coordinated by two bridging chloride ligands and by two chelating cyclometallated 2-(5-benzylsulfonyl)- 3-fluoro-2-(pyridin-2-yl)phenyl ligands. The crystal structure analysis unequivocally establishes the trans disposition of the two cyclometallated ligands bound to each IrII 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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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11586/132259
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