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Crystal structure of bis-[bis-(1,4,7-tri-aza-cyclo-nonane-?3 N,N',N'')chromium(III)] tris-(tetra-chlorido-zincate) monohydrate from synchrotron X-ray data.

ABSTRACT: The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-tri-aza-cyclo-nonane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octa-hedral geometry. Three distorted tetra-hedral [ZnCl4]2- anions and one lattice water mol-ecule lie outside this coordination sphere. The Cr-N bond lengths are in the range 2.0621?(11) to 2.0851?(12)?Å, while the mean inner N-Cr-N bond angle is 82.51?(5)°. The crystal packing is stabilized by hydrogen-bonding inter-actions with the N-H groups of the tacn ligands and the water O-H groups acting as donors, and the O atoms of the water mol-ecules and Cl atoms of the [ZnCl4]2- anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.

SUBMITTER: Moon D 

PROVIDER: S-EPMC6509691 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of bis-[bis-(1,4,7-tri-aza-cyclo-nonane-κ<sup>3</sup> <i>N</i>,<i>N</i>',<i>N</i>'')chromium(III)] tris-(tetra-chlorido-zincate) monohydrate from synchrotron X-ray data.

Moon Dohyun D   Choi Jong-Ha JH  

Acta crystallographica. Section E, Crystallographic communications 20190307 Pt 4

The structure of the title compound, [Cr(tacn)<sub>2</sub>]<sub>2</sub>[ZnCl<sub>4</sub>]<sub>3</sub>·H<sub>2</sub>O (tacn is 1,4,7-tri-aza-cyclo-nonane; C<sub>6</sub>H<sub>15</sub>N<sub>3</sub>), has been determined from synchrotron X-ray data. Each Cr<sup>III</sup> cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octa-hedral geometry. Three distorted tetra-hedral [ZnCl<sub>4</sub>]<sup>2-</sup> anions and one lattice water mol-ecule lie outside this co  ...[more]

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