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Crystal data for bis(η 5 ‐ tert ‐butylcyclopentadienyl)hafnium(IV) dihydride dimer, [(η 5 ‐ t ‐BuC 5 H 4 ) 2 HfH(μ‐H)] 2
Author(s) -
Laarif A.,
Theobald F.,
Gautheron B.,
Tainturier G.
Publication year - 1983
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889883010390
Subject(s) - crystallography , dimer , chemistry , triclinic crystal system , hydride , crystal structure , x ray crystallography , molecule , stereochemistry , diffraction , hydrogen , physics , organic chemistry , optics
The air‐sensitive title hydride [Hf(C 9 H 13 )2H 2 ] 2 was prepared by hydrogenolysis of ( t ‐BuCp) 2 HfMe 2 [Couturier, Tainturier & Gautheron (1980). J. Organomet. Chem. 195 , 291–306] and crystallized from a solution in heptane or toluene and hexane. The compound is triclinic with the following cell parameters: a = 7.22(3), b = 10.31(4), c = 12.47(6) Å, α = 80.4(4), β = 74.6(4)°, γ = 72.1(3)°, V = 847 Å 3 , Z = 1, D x = 1.67 Mg m − 3 . Powder diffraction data were obtained from Debye–Scherrer photographs. The extended version of the paper examines several examples where Zr or Hf hydrides are monomers or dimers and shows that this structure is very similar to the related [(MeCp) 2 ZrH 2 ] 2 compound [Jones & Petersen (1981). Inorg. Chem. 20 , 2889–2894]. This similarity and spectroscopic data show that the molecule probably has a center of symmetry situated between the two Hf atoms and the two bridging H atoms. The JCPDS Diffraction File No. for [Hf(C 9 H 13 ) 2 H 2 ] 2 is 33‐1996.