Acta Cryst. (2014). C70, 306-311 [ doi:10.1107/S205322961400374X ]
Abstract: The title bimolecular structure, [Cu4Cl6O(C4H8O)3(H2O)]2[Cu4Cl6O(C4H8O)4]·4C4H8O, at 100 K has monoclinic (P21/c) symmetry. The structure contains nine symmetry-independent molecules expressed in simplest molecular form as 6[Cu4Cl6O(C4H8O)3(H2O)·2(C4H8O)]:3Cu4Cl6O(C4H8O)4. The compound exhibits a supercell (smaller than the unit cell based on weak reflections) structure due to pseudotranslational symmetry. The structure displays O-HO hydrogen bonding between bound water ligands and tetrahydrofuran (THF) solvent molecules. The structure exhibits disorder for 12 of the THF molecules, of which seven are ligated to Cu and five are hydrogen bonded to H2O ligands.
CCDC reference: 987717
Keywords: crystal structure; supercell; pseudotranslation; bimolecular structure; copper cluster; hydrogen bonding.
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