Received 7 January 2013
aCentre for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, PO Box 1126, 0315 Oslo, Norway,bCentre for Materials Science and Nanotechnology &, inGAP National Centre of Research-based Innovation, Department of Chemistry, University of Oslo, PO Box 1126, 0315 Oslo, Norway, and cDepartment of Chemistry, University of Bergen, PO Box 7803, 5020 Bergen, Norway
Correspondence e-mail: firstname.lastname@example.org
In the title coordination polymer, [Zr(C8H2O6)(C6H12N2O)2]n, the ZrIV atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O'-bidentate 2,5-dioxidoterephthalate (DHTP4-) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO6 octahedral geometry. The deprotonated hydroxy and carboxy O atoms of the DHTP4- ligand chelate the ZrIV ion via a six-membered ring; the dihedral angle between the carboxylate group and the aromatic ring is 19.94 (11)°. The DHTP4- ligand is completed by crystallographic inversion symmetry and coordinates to two ZrIV atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction.
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7026 ).
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2003). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
Chavan, S., Vitillo, J. G., Gianolio, D., Zavorotynska, O., Civalleri, B., Jakobsen, S., Nilsen, M. H., Valenzano, L., Lamberti, C., Lillerud, K. P. & Bordiga, S. (2012). Phys. Chem. Chem. Phys. 14, 1614-1626.
Dietzel, P. D. C., Morita, Y., Blom, R. & Fjellvåg, H. (2005). Angew. Chem. Int. Ed. 44, 6354-6358.
Dietzel, P. D. C., Panella, B., Hirscher, M., Blom, R. & Fjellvåg, H. (2006). Chem. Commun. pp. 959-961.
Maercz, M., Wragg, D. S., Dietzel, P. D. C. & Fjellvåg, H. (2013). Acta Cryst. E69, m152.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.