Hexa-μ2-chlorido-μ4-oxido-tetra-kis[(morpholine-κN)copper(II)] methanol disolvate.

Kateryna Gubina,Vladimir Ovchynnikov,Vladimir Amirkhanov

doi:10.1107/s160053681401407x

Kateryna Gubina, Vladimir Ovchynnikov + Show 1 more

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https://doi.org/10.1107/s160053681401407x

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Abstract

In the title solvate, [Cu4(μ2-Cl)6(μ4-O)(C4H9NO)4]·2CH3OH, each Cu2+ ion in the tetranuclear complex has a trigonal–bipyramidal coordination arising from three bridging chloride ions in equatorial positions and the central μ4-O2− ion and morpholine N atom in axial positions. The morpholine rings adopt chair conformations, with the N—Cu bonds in equatorial orientations. In the crystal, the components are linked by N—H⋯O and O—H⋯O and O—H⋯Cl hydrogen bonds, which generate a three-dimensional network. One methanol molecule is disordered over two sets of sites in a 0.642 (9):0.358 (9) ratio.

Highlights

Bipyramidal coordination arising from three bridging chloride ions in equatorial positions and the central 4-O2 ion and morpholine N atom in axial positions
Symmetry codes: (i) x+1/2, −y+1/2, z−1/2; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x, −y, −z; (iv) x−1, y, z; (v) −x+3/2, y−1/2, −z+1/2

Summary

Structure Reports

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.009 Å; disorder in solvent or counterion; R factor = 0.054; wR factor = 0.092; data-toparameter ratio = 15.1. In the title solvate, [Cu4(2-Cl)6(4-O)(C4H9NO)4]2CH3OH, each Cu2+ ion in the tetranuclear complex has a trigonal–. Bipyramidal coordination arising from three bridging chloride ions in equatorial positions and the central 4-O2 ion and morpholine N atom in axial positions. The morpholine rings adopt chair conformations, with the N—Cu bonds in equatorial orientations. The components are linked by N—H O and O—H O and O—H Cl hydrogen bonds, which generate a three-dimensional network. One methanol molecule is disordered over two sets of sites in a

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