Crystal structure of bis-{μ2-[(2-imino-cyclo-pentyl-idene)methyl-idene]aza-nido-κ(2) N:N'}bis-[(η(5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV)] hexane monosolvate

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 71; no. Pt 12; pp. m219 - m220
• Main Authors: Becker, Lisanne, Spannenberg, Anke, Arndt, Perdita, Rosenthal, Uwe
• Format: Journal Article
• Language: English
• Published: England International Union of Crystallography 01.12.2015
• Subjects: 1-imino-2-enimino-cyclopentane ligand; crystal structure; Data Reports; dinuclear structure; zirconocene; crystal structure; zirconocene; 1-imino-2-enimino-cyclo­pentane ligand; dinuclear structure
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989015021234

The title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adipo-nitrile with [Zr(C10H15)2(η(2)-Me3SiC2SiMe3)]. Intra-molecular nitrile-nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)-cyclo-pentane ligand, which functions as a five-membered bridge between the two metal atoms. The Zr(IV) atom exhibits a distorted tetra-hedral coordination sphere defined by two penta-methyl-cyclo-penta-dienyl ligands, by the imino unit of one (1-imino-2-enimino)-cyclo-pentane and by the enimino unit of the second (1-imino-2-enimino)-cyclo-pentane. The cyclo-pentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent mol-ecule, both being completed by the application of inversion symmetry. One of the penta-methyl-cyclo-penta-dienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex mol-ecules are packed into rods extending along [100], with the solvent mol-ecules located in between. The rods are arranged in a distorted hexa-gonal packing.