title: The layered structure of poly[[hexaaqua(μ4-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate].
abstract: In the structure of the title compound, {[Cu2(C10H2O8)(H2O)6]·4H2O}n, the benzene-1,2,4,5-tetracarboxylate ligand, (btec)(4-), is located on a crystallographic inversion centre in a μ4-coordination mode. The coordination environment of each pentacoordinated Cu(II) centre is square pyramidal (SBP), formed by three water molecules and two carboxylate O atoms from two different (btec)(4-) ligands. The completely deprotonated (btec)(4-) ligand coordinates in a monodentate mode to four Cu(II) atoms. The alternation of (btec)(4-) ligands and SBP Cu(II) centres leads to the formation of a planar two-dimensional covalent network of parallelograms, parallel to the ab plane. Hydrogen bonds between a basal water molecule and an apical one from an adjacent [Cu(btec)0.5(H2O)3] unit exist in the intralayer space. Hydrogen bonds are also present between the two-dimensional network and the water molecules filling the channels in the structure.
authors.affiliation: Facultad de Ciencias Quimicas y Farmaceuticas, Universidad de Chile, Sergio Livingstone 1007, Santiago, Chile.
authors.forename: Patricio
authors.initials: P
authors.lastname: Cancino
authors.forename: Evgenia
authors.initials: E
authors.lastname: Spodine
authors.forename: Verónica
authors.initials: V
authors.lastname: Paredes-García
authors.forename: Diego
authors.initials: D
authors.lastname: Venegas-Yazigi
authors.forename: Andrés
authors.initials: A
authors.lastname: Vega
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008024:Ligands; D015394:Molecular Structure
chemical_list: D056831:Coordination Complexes; D008024:Ligands; C586904:poly((hexaaqua(mue4-benzene-1,2,4,5-tetracarboxylato)dicopper(II)) tetrahydrate); D003300:Copper
keywords: Cu complexes; benzene-1,2,4,5-tetracarboxylate ligand; crystal structure; metal–organic frameworks (MOFs)