Tetra­kis(2,4,6-triamino-1,3,5-triazin-1-ium) tris­(pyridine-2,6-dicarboxyl­ato)calcate(II) hexa­hydrate

Aghabozorg, H.; Daneshvar, S.; Nemati, A.

doi:10.1107/S1600536808022873

Acta Crystallographica Section E

Structure Reports Online

Volume 64, Part 8 (August 2008)

metal-organic compounds

Acta Cryst. (2008). E64, m1063-m1064 [ doi:10.1107/S1600536808022873 ]

Tetrakis(2,4,6-triamino-1,3,5-triazin-1-ium) tris(pyridine-2,6-dicarboxylato)calcate(II) hexahydrate

H. Aghabozorg, S. Daneshvar and A. Nemati

Abstract: The title compound, (C₃H₇N₆)₄[Ca(C₇H₃NO₄)₃]·6H₂O or (tataH)₄[Ca(pydc)₃]·6H₂O (where tata is 2,4,6-triamino-1,3,5-triazine and pydcH₂ is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Ca(NO₃)₂·4H₂O with the proton-transfer compound (tataH)₂(pydc) in aqueous solution. The [Ca(pydc)₃]^4- anion has twofold crystallographic symmetry. It is a nine-coordinate Ca^II complex with a distorted tricapped trigonal-prismatic coordination geometry. The structure also contains four tataH⁺ cations and six uncoordinated water molecules. There are extensive O-HO, O-HN, N-HO, N-HN and C-HO hydrogen bonds in the crystal structure.