Acta Crystallographica Section E Structure Reports Online, Volume 68, Issue 11, Pages m1349-m1350 , 01/11/2012
Poly[aqua(μ2-pyrimidine-2-carboxylato-κ4 O,N:O',N')(nitrato-κO)cadmium]
Abstract
In the title polymer, [Cd(C<inf>5</inf>H<inf>3</inf>N<inf>2</inf>O <inf>2</inf>)(NO<inf>3</inf>)(H<inf>2</inf>O)] n , the Cd<sup>II</sup> atom is seven-coordinate in a distorted capped octahedral geometry by two N atoms of two different pyrimidine dicarboxylate (pmc) ligands, three O atoms from three separate pmc ligands, and two O atoms of disordered nitrate anions or water molecules. The Cd<sup>II</sup> atoms are bridged by the pmc ligands in a chelating/bridging bis-bidentate and chelating bidentate mode, forming sheets parallel to (20-1). The sheets are further linked into a three-dimensional supramolecular network via classical O-H⋯O hydrogen bonds involving the nitrate anions and coordinating water molecules. Intramolecular O-H⋯O hydrogen bonding is also observed. The non-coordinating nitrate O atoms are disordered over two sets of sites with occupancies of 0.57(7) and 0.43(7).
Document Type
Article
Source Type
Journal
Keywords
data-to-parameter ratio = 12.5disorder in main residuemean ̄(C-C) = 0.005 ÅR factor = 0.028single-crystal X-ray studyT = 298 KwR factor = 0.070
ASJC Subject Area
Chemistry : Chemistry (all)Materials Science : Materials Science (all)Physics and Astronomy : Condensed Matter Physics