μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''-terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate

Journal Article · Wed Jan 09 00:00:00 EST 2013 · Acta Crystallographica. Section E

DOI:https://doi.org/10.1107/S1600536812051215· OSTI ID:1629089

Jude, Hershel ^[1]; Scott, Brian L. ^[1]; Rocha, Reginaldo C. ^[1]

---

1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In the title compound [Ru₂(C₁₅H₁₁N₃)₂(C₂₄H₁₆N₆)](PF₆)₄·4CH₃CN, two of the counter-ions and one of the solvent molecules are disordered with occupancies for the major components between 0.57 (2) and 0.64 (1). The structure of the dinuclear tetracation exhibits significant distortion from planarity in the bridging 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine (tppz) ligand, which has a saddle-like geometry with an average dihedral angle of 42.96 (18)° between adjacent pyridine rings. The metal–ligand coordination environment is nearly equivalent for the two Ru^IIatoms, which have a distorted octahedral geometry due to the restricted bite angle [157.57 (13)–159.28 (12)°] of their two mer-arranged tridendate ligands [2,2':6',2''-terpyridine (tpy) and tppz] orthogonal to each other. At the peripheral tpy ligands, the average Ru—N bond distance is 2.072 (4) Å for the outer N atoms trans to each other (N_outer) and 1.984 (1) Å for the central N atoms (N_central). At the bridging tppz ligand, the average metal–ligand distances are significantly shorter [2.058 (4) Å for Ru—N_outerand 1.965 (1) Å for Ru—N_central] as a result of both the geometric constraints and the stronger π-acceptor ability of the pyrazine-centered bridge. The dihedral angle between the two tpy planes is 27.11 (6)°. The intramolecular linear distance between the two Ru atoms is 6.6102 (7) Å.

• Research Organization: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Laboratory Directed Research and Development (LDRD) Program
• OSTI ID: 1629089
• Journal Information: Acta Crystallographica. Section E, Vol. 69, Issue 2; ISSN 1600-5368
• Publisher: International Union of Crystallography
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
single-crystal X-ray study