The compound diaquosulfato(A,Ar,Ar',yV'-tetramethylethylenediamine)copper(II) hydrate, [Cu(tmen)S04(0H2)2]'H20, has been prepared and its structure determined crystallographically. This substance crystallizes in space group Pbca with eight molecules per unit cell of dimensions a = 12.543 (1), b = 15.782 (1), and c = 13.862 (1) Á. The observed and calculated densities are 1.59 (2) and 1.597 g/cm3, respectively. From a total of 2189 independent reflections measured with Ni-filtered copper x radiation, 1869 statistically significant reflections (|Fo| > 3 ( 0)) were used to determine the structure and resulted in final values of R = 0.067 and Rw = 0.061 (154 parameters were least-squares refined). Hydrogen atoms were located but not refined. The molecular structure consists of monomeric [Cu(tmen)S04(0H2)2] units in which the coordination polyhedron about copper is a tetragonal pyramid. The Cu-OH2 apical bond length of 2.205 (5) Á is 10% longer than the four remaining bonds to water, 1.974 (5) Á, monodentate sulfate oxygen, 1.986 (5) Á, and chelated diamine nitrogens, 2,024 (5) and 2.025 (5) A. Copper is situated 0.25 A above the basal plane, and chelate ring conformation is gauche. All water molecules participate in an extensive hydrogen-bonding network to noncoordinated sulfate oxygens with an average 0-0 separation of 2.68 A. The room-temperature magnetic moment is 1.87 BM.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.