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Poly[bis­(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)]

In the title coordination polymer, [Zr(C(8)H(2)O(6))(C(6)H(12)N(2)O)(2)](n), the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O′-bidentate 2,5-dioxidoterephthalate (DHTP(4−)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the...

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Detalles Bibliográficos
Autores principales: Maercz, Matthias, Wragg, David Stephen, Dietzel, Pascal Daniel Croumbie, Fjellvåg, Helmer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588472/
https://www.ncbi.nlm.nih.gov/pubmed/23476499
http://dx.doi.org/10.1107/S1600536813003437
Descripción
Sumario:In the title coordination polymer, [Zr(C(8)H(2)O(6))(C(6)H(12)N(2)O)(2)](n), the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O′-bidentate 2,5-dioxidoterephthalate (DHTP(4−)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO(6) octa­hedral geometry. The deprotonated hy­droxy and carb­oxy O atoms of the DHTP(4−) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxyl­ate group and the aromatic ring is 19.94 (11)°. The DHTP(4−) ligand is completed by crystallographic inversion symmetry and coordinates to two Zr(IV) atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction.