The crystal and molecular structure of bisindenylruthenium

Abstract

The crystal structure of bisindenylruthenium, (CgHT)2Ru, has been determined and refined by threedimensional X-ray diffraction techniques. The crystals are monoclinic, space group P21/a, with a= 14"51, b= 14.05, c= 6.23/~, ,8= 94.10°; there are four molecules in the cell. Intensities were estimated visually from Weissenberg photographs about b and c; the structure was derived from Patterson and electron-density maps and refined by least-squares methods. The final R index for 2031 observed reflections is 0.057.The molecule is in the fully eclipsed conformation, with the ruthenium atom lying midway between the two five-membered rings and nearly on their common axis. The indenyl groups are approximately parallel, the distance between them ranging from 3.62 to 3.69 A. A valence-bond treatment satisfactorily explains the C-C and Ru-C distances.A second crystal modification of bisindenylruthenium has also been obtained. These crystals, too, are monoclinic, space group P21/a, but with approximate cell dimensions a= 11.1, b=9"3, c=6"2 A,, ,8= 90°; there are two molecules in the cell. The structure of this modification is disordered, but appears to be closely related to that of the other (ordered) form.

The structure of triindenylcerium pyridinate

“…2, the C(4)-C(5) and C(6)-C(7) bond distances are significantly shorter than all the others. This precise feature has been observed for the complex Ru(C9H7) 2 (Webb & Marsh, 1967) and agrees with a geometry calculated by Webb & Marsh (1967) on the basis of a simple valence-bond approach assuming full conjugation of the indenyl groups (see Table 2c). No intermolecular contacts have been observed shorter than 3.5 A.…”

“…The angles of bending are 3.6, 2.5 and 6.7 ° for groups 1, 2 and 3 respectively. Almost rigorous planarity of the ligands has been reported in Ru(C9HT) 2 (Webb & Marsh, 1967), while no sure bending effects have been observed in U(CgH7)3C1 previously cited and Sm(C9H7) 3 (Atwood, Burns & Laubereau, 1973). Bending effects were observed in U[CaHa(CH3)4] 2 which have been explained on the basis of the electronic structure of the molecule (Leong, Hodgson & Raymond, 1973).…”

“…1.415(17) 1.430(12) 1.441-1-460 1.16-1.24 * Data taken from the structure of Ru(C9H7) 2 (Webb & Marsh, 1967). U(CsHs)3(r/-C4H9) (Perego, Cesari, Farina & Lugli, 1976).…”

Absorption spectroscopy of (Ind)Ni(PPh3)X (Ind = indenyl, 1-Me-indenyl; X = Cl, Br, Me) and M(Ind)2 (M = Ni, Ru; Ind = indenyl)

“…(8) and Ru(Ind), (21) have been reported in the literature. It is instructive for our analysis to briefly compare these structures to the corresponding Cp analogues.…”

Ruthenium

“…Spectroscopic studies show that in both complexes the five-membered ring is π-bonded to the metal atom 118 ; the crystal structure of Ru(C9H? )2 has been determined 119 .…”