Catena-Poly[[tetraaqua[μ2-1,4-bis(1,2,4-triazol-1-yl)butane-κ2N4:N4′]cadmium(II)] sulfate

Jing-Jing Song,Seik Weng Ng,Kou-Lin Zhang

doi:10.1107/s1600536810045009

Jing-Jing Song, Seik Weng Ng + Show 1 more

Open Access

https://doi.org/10.1107/s1600536810045009

Copy DOI

Abstract

In the polymeric title compound, {[Cd(C8H12N6)(H2O)4]SO4}n, the CdII atom is located on an inversion center and coordinated by four water molecules and two 1,4-bis(1,2,4-triazol-yl)butane ligands in a distorted CdO4N2 octahedral geometry. The 1,4-bis(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C—C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O—H⋯N hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, thus the sulfate anion is equally disordered over two sites. The sulfate anion links with the polymeric chains via O—H⋯O hydrogen bonds, generating a three-dimensional supramolecular network.

Highlights

In the polymeric title compound, {[Cd(C8H12N6)(H2O)4]SO4}n, the CdII atom is located on an inversion center and coordinated by four water molecules and two 1,4-bis(1,2,4triazol-yl)butane ligands in a distorted CdO4N2 octahedral geometry
The 1,4-bis(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C—C bond being located on an inversion center
It links adjacent watercoordinated metal atoms into polymeric chains running along the c axis

Summary

Structure Reports Online

In the polymeric title compound, {[Cd(C8H12N6)(H2O)4]SO4}n, the CdII atom is located on an inversion center and coordinated by four water molecules and two 1,4-bis(1,2,4triazol-yl)butane ligands in a distorted CdO4N2 octahedral geometry. The 1,4-bis(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C—C bond being located on an inversion center. It links adjacent watercoordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O—HÁ Á ÁN hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, the sulfate anion is disordered over two sites. The sulfate anion links with the polymeric chains via O—HÁ Á ÁO hydrogen bonds, generating a three-dimensional supramolecular network

Bruker SMART APEX diffractometer

DÁ Á ÁA