3 NEW MONONUCLEAR NICKEL(II) CYANATE AND ISOCYANATE COMPOUNDS DERIVEDFROM MACROCYCLIC LIGANDS - [NI(TMCY)(NCO)](CLO4), [NI(CYCLAM)(NCO)(H2O)](CLO4) AND [NI(M-CTH)(OCN)(1.5)(CLO4)(0.5)]

The compounds [Ni(TMCY)(NCO)](ClO4) (1), [Ni(Cyclam)(NCO)(H2O)](ClO4) (2) and [Ni(m-CTH)(OCN)(1.5)(ClO4)(0.5)] (3) in which TMCY is ,11-tetr amethyl-1,4,8,11-tetraazacyclotetradecane, Cyclam is 1,4,8,11-tetraaza cyclotetradecane and m-CTH is 12,14-hexamethyl-1,4,8,11-tetraazacyclot etradecane have been synthesized and structurally characterized. 1 cry stallizes in the orthorhombic system, space group Pbca, with FW=456.62 , a=15.296(3), b=15.772(3), c=17.521(3) Angstrom, V=4227(2) Angstrom(3 ), Z=8, R=0.027, R-w=0.033. The nickel atom is pentacoordinated. 2 cry stallizes in the monoclinic system, space group P2(1)/a, with FW=418.5 2,a=11.277(5), b=16.070(6), c=9.873(4) Angstrom, beta=90.68(3)degrees, V=1789(2) Angstrom(3), Z=4, R=0.062, R-w=0.069. The nickel atom is pl aced in an octahedral environment. 3 crystallizes in the triclinic sys tem, space group P-l, with FW=911.89, a=8.752(2), b=8.718(2), c=15.671 (3) Angstrom, alpha=104.01(2), beta=105.25(2), gamma=95.96(2)degrees, V=1101.2(4) Angstrom 3, Z=1, R=0.0553, R-w=0.1624. The nickel atom is placed in an octahedral environment with the oxygen atom of the cyanat o ligand occupyng one of the coordination sites.