title: The bimolecular structure of aquahexa-μ-chlorido-μ4-oxido-tris(tetrahydrofuran-κO)tetracopper(II)-hexa-μ-chlorido-μ4-oxido-tetrakis(tetrahydrofuran-κO)tetracopper(II)-tetrahydrofuran (2/1/4).
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-H...O 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.
authors.affiliation: Department of Chemistry, Eastern Illinois University, 600 Lincoln Avenue, Charleston, IL 61920, USA.
authors.forename: Kraig A
authors.initials: KA
authors.lastname: Wheeler
authors.affiliation: Department of Chemistry, Knox College, 2 East South Street, Galesburg, IL 61401, USA.
authors.forename: Travis R
authors.initials: TR
authors.lastname: Helgren
authors.affiliation: Department of Chemistry, Knox College, 2 East South Street, Galesburg, IL 61401, USA.
authors.forename: Thomas W
authors.initials: TW
authors.lastname: Clayton
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005663:Furans / Q000737:chemistry*; D006860:Hydrogen Bonding; D008024:Ligands; D014867:Water
chemical_list: D056831:Coordination Complexes; D005663:Furans; D008024:Ligands; D014867:Water; D003300:Copper
keywords: bimolecular structure; copper cluster; crystal structure; hydrogen bonding; pseudotranslation; supercell