Crystallochemical formula as a tool for describing metal-ligand complexes - a pyridine-2,6-dicarboxylate example

Acta Crystallogr B. 2009 Feb;65(Pt 1):45-53. doi: 10.1107/S0108768108038846. Epub 2009 Jan 15.

Abstract

Compounds (299) containing 494 symmetrically independent pyridine-2,6-dicarboxylate moieties have been investigated. Among them the structures of Na(3)[Nd(Pydc)(3)].14H(2)O and Na(3)[Er(Pydc)(3)].11.5H(2)O, where H(2)Pydc is pyridine-2,6-dicarboxylic acid, were determined by single-crystal X-ray diffraction, while the others were taken from the Cambridge Structural Database. The characteristics of any complex by means of the ;method of crystallochemical analysis' are described, and the coordination types of all the Pydc ions and crystallochemical formulae of all the compounds were determined. Although the ion can act as a mono-, bi-, tri-, tetra- and pentadentate ligand, 96% of Pydc ions are coordinated to the central A atom in the tridentate-chelating mode. The dependence of the denticity and geometry of pyridine-2,6-dicarboxylate, as well as of the composition of Pydc-containing complexes, was studied as a function of the nature of the A atom, the molar ratio Pydc:A and the presence of neutral or acidic ligands in the reaction mixture.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Databases, Factual
  • Ligands
  • Metals / chemistry*
  • Models, Chemical
  • Molecular Structure
  • Organometallic Compounds / chemical synthesis
  • Organometallic Compounds / chemistry*
  • Picolinic Acids / chemical synthesis
  • Picolinic Acids / chemistry*

Substances

  • Ligands
  • Metals
  • Organometallic Compounds
  • Picolinic Acids
  • dipicolinic acid