title: Isolation and molecular structure of hexacyanoruthenate(III).
abstract: The [Ru(CN)(6)](3-) ion is synthesized in aqueous solution and isolated as [Ph(4)As](3)[Ru(CN)(6)].2H(2)O (1). Compound 1 crystallizes as orange needles in the monoclinic space group P2(1)/n with cell parameters a = 11.346(2) A, b = 23.107(5) A, c = 25.015(5) A, beta = 99.55(3) degrees, V = 6467.1(22) A(3), Z = 4. The octahedral anion has Ru-C bond lengths in the range 2.023(6)-2.066(6) A. DFT calculations reproduce experimental geometries for [M(CN)(6)](3-) (M = Fe, Ru) equally well and yield significantly higher spin densities on the cyanide ligands in [M(CN)(6)](3-) (M = Ru, Os) than in [Fe(CN)(6)](3-).
authors.affiliation: Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100, Denmark. bendix@kiku.dk
authors.forename: Jesper
authors.initials: J
authors.lastname: Bendix
authors.forename: Poul
authors.initials: P
authors.lastname: Steenberg
authors.forename: Inger
authors.initials: I
authors.lastname: Søtofte