(eta6-2-Bromo-1,1'-biphenyl)-tricarbonylchromium

Acta Crystallogr C. 2003 Dec;59(Pt 12):m499-500. doi: 10.1107/s010827010302362x. Epub 2003 Nov 8.

Abstract

The title compound, [Cr(C(12)H(9)Br)(CO)(3)], crystallizes in the triclinic space group P-1 with close Br.Br separations. These contacts, along with several other factors, influence the (Ph)C-C(o-BrC(6)H(4)) dihedral angle of 58.82 (6) degrees. The typical piano-stool coordination about the Cr atom is in excellent agreement with the results of density functional theory calculations.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Chemical Phenomena
  • Chemistry
  • Chromium / chemistry*
  • Crystallography, X-Ray
  • Models, Chemical
  • Models, Molecular
  • Organometallic Compounds / chemistry*

Substances

  • (eta(6)-2-bromo-1,1'-biphenyl)tricarbonylchromium
  • Organometallic Compounds
  • Chromium