μ-N,N,N',N'-Tetra-kis(2-pyridyl-meth-yl)butane-1,4-diamine]-bis-[diacetato-cadmium(II)] nona-hydrate.

Mark Bartholomä,Hoi Cheung,Jon Zubieta

doi:10.1107/s1600536810034550

Mark Bartholomä, Hoi Cheung + Show 1 more

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https://doi.org/10.1107/s1600536810034550

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Abstract

The title dinuclear complex, [Cd2(CH3CO2)4(C28H32N6)]·9H2O, is located on a crystallographic inversion center. The unique CdII ion displays a 5 + 2 coordination. A distorted square-pyramidal geometry is formed by the dipicolylamine unit of the ligand via the N atoms in a meridional fashion and two O atoms of the acetate ligands with short Cd—O distances. The coordination is completed by two loosely bound O atoms of the acetate ligands. The Cd—N distances involving the pyridine N atoms differ slightly from each other and the Cd—N distance involving the tertiary N atom is the longest. In the crystal structure, complex molecules and solvent water molecules are connected into a three-dimensional network via intermolecular O—H⋯O hydrogen bonds. One of the water molecules lies on a twofold rotation axis.

Highlights

The title dinuclear complex, [Cd2(CH3CO2)4(C28H32N6)]9H2O, is located on a crystallographic inversion center
A distorted square-pyramidal geometry is formed by the dipicolylamine unit of the ligand via the N atoms in a meridional fashion and two O atoms of the acetate ligands with short Cd—O
Complex molecules and solvent water molecules are connected into a three-dimensional network via intermolecular O—H O hydrogen bonds

Summary

Structure Reports

Key indicators: single-crystal X-ray study; T = 90 K; mean (C–C) = 0.005 Å; R factor =. 0.045; wR factor = 0.103; data-to-parameter ratio = 18.6. The title dinuclear complex, [Cd2(CH3CO2)4(C28H32N6)]9H2O, is located on a crystallographic inversion center. The unique CdII ion displays a 5 + 2 coordination. A distorted square-pyramidal geometry is formed by the dipicolylamine unit of the ligand via the N atoms in a meridional fashion and two O atoms of the acetate ligands with short Cd—O distances. The coordination is completed by two loosely bound O atoms of the acetate ligands. The Cd—N distances involving the pyridine N atoms differ slightly from each other and the Cd—N distance involving the tertiary N atom is the longest. Complex molecules and solvent water molecules are connected into a three-dimensional network via intermolecular O—H O hydrogen bonds. One of the water molecules lies on a twofold rotation axis

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For the use of the dipicolylamine moiety for binding of the

Bruker SMART APEX diffractometer

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