Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 7 (July 2006)


metal-organic compounds



dn3008 scheme

Acta Cryst. (2006). C62, m311-m314    [ doi:10.1107/S0108270106021354 ]

Three oxo complexes with a tetranuclear [Cu4([mu]2-Cl)6([mu]4-O)] unit

P. Cortés, A. M. Atria, M. T. Garland and R. Baggio

Abstract: The three title compounds, namely 4-phenyl-1H-imidazolium hexa-[mu]2-chloro-chloro-[mu]4-oxo-tris(4-phenyl-1H-imidazole-[kappa]N1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, hexa-[mu]2-chloro-[mu]4-oxo-tetrakis(pyridine N-oxide-[kappa]O)tetracopper(II), [Cu4Cl6O(C5H5NO)4], and hexa-[mu]2-chloro-tetrakis(2-methyl-1H-imidazole-[kappa]N1)-[mu]4-oxo-tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)4]·3CH4O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl6 octahedron, leading to a rather globular species. This special arrangement of the CuII cations results in a diversity of magnetic behaviours.

Formula: (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, [Cu4Cl6O(C5H5NO)4] and [Cu4Cl6O(C4H6N2)4]·3CH4O


hkldisplay filedownload file

Structure factor file (CIF format) (369.0 kbytes)
[ doi:10.1107/S0108270106021354/dn3008Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (513.9 kbytes)
[ doi:10.1107/S0108270106021354/dn3008IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (307.3 kbytes)
[ doi:10.1107/S0108270106021354/dn3008IIIsup4.hkl ]
Contains datablock III


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