Di-μ-hydroxo-κ 4 O : O -bis[aquatris(triphenylsilanolato-κ O )zirconium(IV)] toluene solvate

The title compound, [Zr2(C18H15OSi)6(OH)2(H2O)2]·C7H8, is a dimeric ZrIV compound. The asymmetric unit consists of two half-molecules of the complex and a toluene solvent mol­ecule. The zirconium centres are bridged by two μ-hydroxo ligands. Each Zr is octa­hedrally coordinated by the hydroxo groups, three triphenyl­silanolato groups and an additional water ligand. The centres of both Zr2O2 rings are located on crystallographic centres of inversion. The two independent monomeric units differ significantly with respect to the Zr—O—Si bond angles which is most probably due to the high steric demands of three triphenyl­silanolato ligands.

[1]  G. Sheldrick.  Phase annealing in SHELX-90: direct methods for larger structures , 1990 .

[2]  G. Erker,et al.  Some selected chapters from the (butadiene)zirconocene story , 2004 .

[3]  David J. Williams,et al.  Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides , 1999 .

[4]  C. Floriani,et al.  A trans‐Dimethyl Derivative of Octahedral TiIV: Alkylation and Arylation of TiIV‐Schiff Base Complexes , 1989 .

[5]  H. Roesky,et al.  Hetero- and Metallasiloxanes Derived from Silanediols, Disilanols, Silanetriols, and Trisilanols , 1996 .

[6]  F. S. Mathews,et al.  A semi-empirical method of absorption correction , 1968 .

[7]  H. Roesky,et al.  Metal alkoxides as versatile precursors for group 4 phosphonates: synthesis and X-ray structure of a novel organosoluble zirconium phosphonate. , 2000, Inorganic chemistry.

[8]  G. Britovsek,et al.  The Search for New-Generation Olefin Polymerization Catalysts: Life beyond Metallocenes. , 1999, Angewandte Chemie.

[9]  H. Alt,et al.  Fluorenyl complexes of zirconium and hafnium as catalysts for olefin polymerization , 2010 .

[10]  U. Thewalt,et al.  Bis-μ-hydroxo-bis(π-cyclopentadienyldinitratozirkonium-(IV))tetrahydrofuran(), ein zweikerniger organozirkonium(IV)-komplex mit siebenfach koordinierten metallzentren , 1984 .

[11]  J. Ziller,et al.  Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups. , 1999, Inorganic chemistry.

[12]  L. Hubert-Pfalzgraf,et al.  Alcohol adducts of alkoxides: intramolecular hydrogen bonding as a general structural feature , 1990 .

[13]  W. M. Davis,et al.  Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2 , 1997 .

[14]  D. Walther,et al.  Zirkoniumorganische chemie mit anorganischen donorliganden N,N′-Bis(trimethylsilyl) benzamidinat (Siam) in verbindungen des typs (Siam)2ZrX2 (X = Methyl, Benzyl, Allyl, Chlorid oder Iodid) und (Siam)3ZrX (X = Chlorid) , 1996 .

[15]  E. Parisini,et al.  Group 4 Metal Amido Fluorides and Chlorides: Molecular Structures and the First Comparison in Ethylene Polymerization Catalysis , 1996 .

[16]  Walter Kaminsky,et al.  New polymers by metallocene catalysis , 1996 .

[17]  G. Seisenbaeva,et al.  Influence of heteroligands on the composition, structure and properties of homo- and heterometallic zirconium alkoxides. Decisive role of thermodynamic factors in their self-assembly , 2004 .

[18]  D. Walther,et al.  Triphenylsilanolato complexes of Group 4 metals: syntheses, X-ray crystal structures and catalytic cyclization reaction of 1,5-hexadiene , 1999 .

[19]  David Fischer,et al.  Stereospecific Olefin Polymerization with Chiral Metallocene Catalysts , 1995 .

[20]  A. Devi,et al.  Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO2 , 2003 .

[21]  R. W. Schwartz,et al.  Synthesis and Structure of Novel Group IV Tridentate Alkoxide Complexes and Ceramic Thin Films Derived Therefrom. X-ray Structures of (H3CC(CH2-.mu.3-O)(CH2-.mu.-O)2)2Ti4(OCH(CH3)2)10, (H3CCH2C(CH2-.mu.3-O)(CH2-.mu.-O)2)2Ti4(OCH(CH3)2)10, and (H3CC(CH2-.mu.-O)3)2Zr4(.mu.-OCH(CH3)2)2(OCH(CH3)2)8 , 1995 .