Crystal and molecular structure of tetrakisthiourea cobalt (II) nitrate monohydrate, C4H16CoN8S4 2+,2NO 3 − ,H2O

Abstract

The crystal structure of tetrakisthiourea cobalt(II) nitrate monohydrate has been solved and refined by full-matrix least squares, including anisotropic temperature factors, to a finalR of 0.066. The structure is made up of discrete tetrakisthiourea Co(II) molecular ions and NO 3 − ions bound together by hydrogen bonds with water molecules as well as ionic and van der Waals interactions. The local configuration of the cobalt(II) and its four bonded nearest sulfur neighbors is that of a distorted tetrahedron with an average Co-S distance of 2.30 A. Three of the Co-S bonds appear to be made with sulfur sp2 orbitals and lone pairs whereas the remaining Co-S bond involves the S-C π molecular orbital as the electron donor. The thiourea groups appear to be normal. Tetrakisthiourea cobalt(II) nitrate monohydrate: orthorhombic,Pbca,a = 33.704(8),b = 11.734(2),c = 10.253(2) A,Z = 8,D m = 1.68(2),D e = 1.66 g cm−3.