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The crystal and molecular structure of sym-trans-DI-μ-acetatobis[o-(t)-butyl-o-tolylphosphino)benzyl]dipalladium-(II) a complex formed by an internal metallation reaction

Authors
Journal
Journal of Organometallic Chemistry
0022-328X
Publisher
Elsevier
Publication Date
Volume
80
Issue
3
Identifiers
DOI: 10.1016/s0022-328x(00)80019-4

Abstract

Abstract The structure of [Pd(OAc){CH 2C 6H 4P-t-Bu( o-tolyl)}] 2 has been determined from three dimensional X-ray diffractometer data. The compound crystallizes in the space group P 1 , Z = 2, with a reduced triclinic unit cell a = 12.989, b = 15.643, c = 20.325 Å, α = 130.85, β = 117.91, γ = 94.08°. A least squares refinement of atomic positional and thermal parameters, based on 5436 observed reflections has converged to discrepancy indices, R 1 and R 2, of 0.044 and 0.058. The structure consists of independent dimeric molecules packed with cyclohexane molecules of crystallization. [ o-(t-butyl- o-tolylphosphino)benzyl]palladium(II) fragments are bridged by the two acetate groups so that each palladium has a slightly distorted planar coordination; the molecule has approximate C 2 symmetry with a Pd…Pd non-bonding distance of 3.413(1) Å. The mean Pd-P and Pd-C bond lengths are 2.204(2) and 2.033(5) Å respectively, other mean distances being Pd-O 2.13(1), C-C(methyl) 1.497(4), O-C(acetate) 1.247(6). C-C(benzyl) 1.497(7) Å. The solvated cyclohexane molecules are disordered.

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