Synthesis and crystal structure of the new complex bis(4,4,10,10-tetramethyl-1,3,7,9-tetraazospiro[5.5]undecane-2,8-dione-O)diaquatris(nitrato-O,O′)cerium(III)

Abstract

A mononuclear biligand complex of cerium(III) nitrate with bicyclic bisurea (4,4,10,10-tetramethyl-1,3,7,9-tetraazospiro[5.5]undecane-2,8-dione or spirocarbone (Sk)), Ce(C11H20N4O2)2(H2O)2(NO3)3 (I), is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 985759). The crystals are monoclinic: space group P21/c, a = 11.1935(5), b = 13.0139(5), c = 24.1857(10) A, β = 101.146(4)°, V = 3456.7(3) A3, ρcalcd = 1.619 g/cm3, Ζ = 4. The structure is molecular. The cerium(III) cation is coordinated by two oxygen atoms of two molecules of the organic ligand, two O(H2O) atoms, and six O atoms of three bidentate nitrate anions. The coordination number of the cerium(III) atom is ten, and the coordination polyhedron is an irregular ten-vertex polyhedron. The crystal is a non-merohedral twin, whose components are turned by 180° along the x axis, and the relative weights of the components are 0.82 : 0.18.