Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate

Dipendu Mandal, Wing Y. Man, Georgina M. Rosair, Alan J. Welch

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C<inf>5</inf>H5)<inf>2</inf>(C4H<inf>2</inf>2B20)] 2C4H<inf>8</inf>O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C<inf>5</inf>H5)<inf>2</inf>(C4H<inf>2</inf>2B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co - C - C' - Co' ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.

Original languageEnglish
Pages (from-to)793-798
Number of pages6
JournalActa Crystallographica Section C: Structural Chemistry
VolumeC71
Issue numberPart 9
DOIs
Publication statusPublished - 1 Sep 2015

Keywords

  • bis(carborane)
  • boron-hydrogen distance (BHD) method
  • crystal structure
  • diastereoisomers
  • metallacarborane
  • vertex-to-centroid distance (VCD) method

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Condensed Matter Physics

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