Crystal Structure of Cupric Benzoate Trihydrate Cu(C6H5COO)23H2O

Cupric benzoate trihydrate crystallizes in the monoclinic system, space group I 2/ c , with four formula units in a unit cell of dimensions, a =6.98, b =34.12, c =6.30 Å; \(β{}90\)°. There are two kinds of benzoate groups. The carboxyl oxygen atoms of benzoate group I are in direct contacts with copper atoms, while those of group II are coordinated to copper atoms through water molecules. Each copper atom is situated at the center of a deformed octahedron consisted of four water molecules and two oxygen atoms from benzoate group I. The octahedra are linked, by sharing two water molecules, into a column parallel to the c -axis. Within this column, copper atoms lie on a line at an interval of 3.15 Å, which suggests the presence of magnetic anisotropy.