Crystal and Molecular Structure of Dinitrosylbis(triphenylphosphine)ruthenium-Hemibenzene, Ru(NO)2(P(C6H5)3)2·1/2C6H6

Arthur P. Gauchan, James A. Ibers, Brian J. Corden, Richard Eisenberg*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations


The structure of dinitrosylbis(triphenylphosphine)ruthenium-hemibenzene, Ru(NO)2(P(C6H5)3)2-1/2C6H6 has been determined from three-dimensional X-ray data collected by counter techniques. The material crystallizes in the space group C2h5-P21/n of the monoclinic system with four molecules of the complex and two molecules of solvent (C6H6) in the unit cell. Crystal data are a = 17.031 (2) Å, b= 18.792 (2) Å, c = 10.800 (1) Å, β = 97.03 (1)°, V= 3430.6 ρmeasd = 1.43 (2) g/cm3, and ρcalcd = 1.401 g/cm3. The structure has been refined by a full-matrix least-squares procedure to a conventional R index (on F) of 0.043 for 2985 observations having Fo2 > 3ρ(Fo2). The coordination geometry about the ruthenium atom may be described as distorted tetrahedral. Bond distances of interest are Ru-P, 2.337 (2) and 2.353 (2) A, and Ru-N, 1.762 (6) and 1.776 (6) Å. The N-Ru-N angle, 139.2 (3)°, is significantly different from the tetrahedral value and the Ru-N-O angles are 177.7 (6) and 170.6 (5)°. The structural results support the formulation of Ru(NO)2(P- (C6H5)3)2 as a d10 complex of Ru(-II) with the nitrosyl groups coordinated as NO+. A novel nitrosyl-transfer reaction of this complex with RuCl2(P(C6H5)3)3 to yield the Ru(0) complex Ru(NO)Cl(P(C6H5)3)2 is described and some of its implications are discussed.

Original languageEnglish (US)
Pages (from-to)786-791
Number of pages6
JournalInorganic chemistry
Issue number4
StatePublished - Apr 1 1974

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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