Polymeric poly[[decaaquabis(μ6-1,8-disulfonato-9H-carbazole-3,6-dicarboxylato)di-μ3-hydroxy-pentazinc] decahydrate

Jiamei Yu,Bin Wang,De-Chao Wang

doi:10.1107/s2414314619006679

Abstract

The asymmetric unit of the title MOF, [Zn5(C14H5NO10S2)2(OH)2(H2O)10] n comprises three ZnII atoms, one of which is located on a centre of inversion, a tetra-negative carboxylate ligand, one μ 3-hydroxide and five water molecules, each of which is coordinated. The ZnII atom, lying on a centre of inversion, is coordinated by trans sulfoxide-O atoms and four water molecules in an octahedral geometry. Another ZnII atom is coordinated by two carboxylate-O atoms, one hydroxy-O, one sulfoxide-O and a water-O atom to define a distorted trigonal–bipyramidal geometry; a close Zn...O(carboxylate) interaction derived from an asymmetrically coordinating ligand (Zn—O = 1.95 and 3.07 Å) suggests a 5 + 1 coordination geometry. The third ZnII atom is coordinated in an octahedral fashion by two hydroxy-O atoms, one carboxylate-O, one sulfoxide-O and two water-O atoms, the latter being mutually cis. In all, the carboxylate ligand binds six ZnII ions leading to a three-dimensional architecture. In the crystal, all acidic donors form hydrogen bonds to oxygen acceptors to contribute to the stability of the three-dimensional architecture.

Highlights

The asymmetric unit of the title MOF, [Zn5(C14H5NO10S2)2(OH)2(H2O)10]n comprises three ZnII atoms, one of which is located on a centre of inversion, a tetra-negative carboxylate ligand, one 3-hydroxide and five water molecules, each of which is coordinated
The third ZnII atom is coordinated in an octahedral fashion by two hydroxy-O atoms, one carboxylate
The carboxylate ligand binds six ZnII ions leading to a three-dimensional architecture

Summary

DÁ Á ÁA

Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz þ 1; (ii) Àx þ 1; Ày þ 2; Àz þ 1; (iii) Àx þ 2; Ày þ 1; Àz þ 1; (iv) x; y þ 1; z; (v) Àx þ 2; Ày þ 1; Àz; (vi) x À 1; y; z. If the weak interaction were ignored, the Zn1 atom would be considered five-coordinate, distorted trigonal–bipyramidal with the sulfoxide-oxygen and the water-oxygen atoms occupying axial positions. The distorted octahedral coordination geometry for the Zn2 atom is completed by two water molecules which occupy mutually cis positions. A distinct distorted octahedral geometry is found for the Zn3 atom This atom lies on a centre of inversion and is coordinated by two sulfoxide-oxygen atoms and four water molecules; from symmetry the sulfoxide-oxygen atoms are trans. One of the sulfoxide-oxygen atoms (O8) connects to a single ZnII centre (Zn3) while the other (O14) bridges two ZnII atoms (Zn1 and Zn2). In this way a three-dimensional architecture is generated, Fig. 2.

Synthesis and crystallization

Absorption correction

Data collection

Special details