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(Biphenyl-2,2'-di-yl)di-tert-butyl-phos-phonium trifluoro-methane-sulfonate.

ABSTRACT: To aid in the elucidation of catalytic reaction mechanism of palladacycles, we found that reaction of trifluoro-methane-sulfonic acid with a phosphapalladacycle resulted in elimination of the palladium and formation of the title phospholium salt, C20H26P(+)·CF3SO3(-). Selected geometrical parameters include P-biphenyl (av.) = 1.801?(3)?Å and P-t-Bu (av.) = 1.858?(3)?Å, and significant distortion of the tetra-hedral P-atom environment with biphen-yl-P-biphenyl = 93.93?(13)° and t-Bu-P-t-Bu = 118.82?(14)°. In the crystal, weak C-H?O inter-actions lead to channels along the c axis that are occupied by CF3SO3(-) anions.

SUBMITTER: Muller A 

PROVIDER: S-EPMC3588282 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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(Biphenyl-2,2'-di-yl)di-tert-butyl-phos-phonium trifluoro-methane-sulfonate.

Muller Alfred A   Holzapfel Cedric W CW  

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

To aid in the elucidation of catalytic reaction mechanism of palladacycles, we found that reaction of trifluoro-methane-sulfonic acid with a phosphapalladacycle resulted in elimination of the palladium and formation of the title phospholium salt, C20H26P(+)·CF3SO3(-). Selected geometrical parameters include P-biphenyl (av.) = 1.801 (3) Å and P-t-Bu (av.) = 1.858 (3) Å, and significant distortion of the tetra-hedral P-atom environment with biphen-yl-P-biphenyl = 93.93 (13)° and t-Bu-P-t-Bu = 118.  ...[more]

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