Abstract
The title heteroleptic bis-terpyridine complex, [Ru(C15H11N3)(C17H11N3)](PF6)2·2CH3CN, crystallized from an acetonitrile solution as a salt containing two hexafluoridophosphate counter-ions and two acetonitrile solvent molecules. The RuII atom has a distorted octahedral geometry due to the restricted bite angle [157.7 (3)°] of the two mer-arranged N,N′,N′′-tridendate ligands, viz. 2,2′:6′,2′′-terpyridine (tpy) and 4′-ethynyl-2,2′:6′,2′′-terpyridine (tpy′), which are essentially perpendicular to each other, with a dihedral angle of 87.75 (12)° between their terpyridyl planes. The rod-like acetylene group lies in the same plane as its adjacent terpyridyl moiety, with a maximum deviation of only 0.071 (11) Å from coplanarity with the pyridine rings. The mean Ru—N bond length involving the outer N atoms trans to each other is 2.069 (6) Å at tpy and 2.070 (6) Å at tpy′. The Ru—N bond length involving the central N atom is 1.964 (6) Å at tpy and 1.967 (6) Å at tpy′. Two of the three counter anions were refined as half-occupied.
Highlights
[Ru(C15H11N3)(C17H11N3)](PF6)22CH3CN, crystallized from an acetonitrile solution as a salt containing two hexafluoridophosphate counter-ions and two acetonitrile solvent molecules
The rod-like acetylene group lies in the same plane as its adjacent terpyridyl moiety, with a maximum deviation of only
Two of the three counter anions were refined as half-occupied
Summary
Key indicators: single-crystal X-ray study; T = 140 K; mean (C–C) = 0.013 Å; disorder in solvent or counterion; R factor = 0.084; wR factor = 0.228; data-toparameter ratio = 12.6. [Ru(C15H11N3)(C17H11N3)](PF6)22CH3CN, crystallized from an acetonitrile solution as a salt containing two hexafluoridophosphate counter-ions and two acetonitrile solvent molecules. 2,20 :60 ,200 -terpyridine (tpy) and 40 -ethynyl-2,20 :60 ,200 -terpyridine (tpy0 ), which are essentially perpendicular to each other, with a dihedral angle of 87.75 (12) between their terpyridyl planes. The rod-like acetylene group lies in the same plane as its adjacent terpyridyl moiety, with a maximum deviation of only. The mean Ru—N bond length involving the outer N atoms trans to each other is 2.069 (6) Å at tpy and 2.070 (6) Å at tpy0. Two of the three counter anions were refined as half-occupied
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