Tetrakis(picolinato-κ2N,O)zirconium(IV) dihydrate

Maryke Steyn,T J Muller,Andreas Roodt,Hendrik G Visser

doi:10.1107/s1600536811031710

Maryke Steyn, T J Muller + Show 2 more

Open Access

https://doi.org/10.1107/s1600536811031710

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Abstract

In the title compound, [Zr(C6H4NO2)4]·2H2O, the ZrIV atom is located on a crystallographic fourfold rotoinversion axis () and is coordinated by four picolinate anions with Zr—O and Zr—N distances of 2.120 (2) and 2.393 (2) Å, respectively. An approximate square-antiprismatic coordination polyhedron of the N,O-coordination ligand atoms is formed, with a distortion towards dodecahedral geometry. The crystal packing is stabilized by intermolecular π–π interactions between adjacent picolinate rings [centroid–centroid distances = 3.271 (1) and 3.640 (2) Å], as well as O—H⋯O hydrogen bonds between the solvent molecules and the coordinated ligands, thereby linking the molecules into a supramolecular three-dimensional network.

Highlights

In the title compound, [Zr(C6H4NO2)4]2H2O, the ZrIV atom is located on a crystallographic fourfold rotoinversion axis (4)
The crystal packing is stabilized by intermolecular – interactions between adjacent picolinate rings [centroid–centroid distances = 3.271 (1)
H atoms treated by a mixture of independent and constrained refinement max = 0.64 e Å3

Summary

Data collection

R factor = 0.037; wR factor = 0.100; data-to-parameter ratio = 17.0. In the title compound, [Zr(C6H4NO2)4]2H2O, the ZrIV atom is located on a crystallographic fourfold rotoinversion axis (4). Zr—N distances of 2.120 (2) and 2.393 (2) Å, respectively. An approximate square-antiprismatic coordination polyhedron of the N,O-coordination ligand atoms is formed, with a distortion towards dodecahedral geometry. The crystal packing is stabilized by intermolecular – interactions between adjacent picolinate rings [centroid–centroid distances = 3.271 (1). 3.640 (2) Å], as well as O—H O hydrogen bonds between the solvent molecules and the coordinated ligands, thereby linking the molecules into a supramolecular threedimensional network

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