Barium oxalates combined with oxo-anions and organic cations: Syntheses and structures of Ba2(C2O4)(H2PO3)2 and C2H10N2·Ba(H2O)2(HC2O4)4

Samuel J. Iveson, Chloe B. Johnston, William T.A. Harrison

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The syntheses and single-crystal structures of Ba2(C2O4)(H2PO3)2 (1) and C2H10N2•Ba(H2O)2(HC2O4)4 (2) are described. Compound 1is a three-dimensional mixed-anion framework containing BaO9 coordination polyhedra, which approximate to monocapped square anti-prisms: the connectivity of the BaO9 units via edges and triangular faces leads to a sheet structure. The oxalate ion in 1is substantially twisted about its C-C bond [dihedral angle between the CO2 groups = 33.8 (3)°]. Compound 2is a molecular salt containing ethylenediammonium dications and [Ba(HC2O4)4(H2O)2]2- dianions, which are linked by O-HL⋯O and N-HL⋯O hydrogen bonds. The BaO10 coordination polyhedron can be described as a distorted pentagonal anti-prism. Crystal data: 1(C2H4Ba2O10P2), Mr = 524.68, monoclinic, C2/c (No. 15), Z = 4,a = 12.3829 (3) Å, b = 7.9124 (2) Å, c = 11.0858 (3) Å, b = 114.788 (2)°, V = 986.10 (4) Å3, R(F) = 0.016, wR(F2) = 0.040. 2(C10H18BaN2O10), Mr = 591.60, monoclinic, C2/m (No. 12), Z = 2, a = 12.7393 (7) Å, b = 13.0111 (7) Å, c = 5.6050 (3) Å, b = 104.208 (4)°, V = 900.62 (8) Å3, R(F) = 0.027, wR(F2) = 0.054.

Original languageEnglish
Pages (from-to)59-68
Number of pages10
JournalCrystals
Volume1
Issue number2
DOIs
Publication statusPublished - 8 Jun 2011

Keywords

  • Barium
  • Crystal structure
  • Hydrogen bonding
  • Oxalate
  • Polyhedra

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

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