A cobalt(III) compound of a 13-membered cyclic tetraamine: trans-(12,12-dimethyl-1,4,7,10-tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate.
The title compound, [Co(NCS)2(C11H26N4)]2[Zn(NCS)4].C2H5OH, has two similar cations with the Co(III) atom coordinated in a planar fashion by the 13-membered cyclic tetraamine, in the 1R,4S,7R,10S configuration, and with trans isothiocyanate ligands. The six-membered chelate ring is in a chair conformation, with one axially and one equatorially oriented methyl substituent [mean Co-N = 1.948 (2) A]. The ;opposite' chelate ring (N4 and N7) is in an eclipsed conformation [mean Co-N = 1.928 (2) A], and the ;side' chelate rings have gauche conformations. The mean Co-N(NCS) distance is 1.928 (2) A. Both cations have one Co-N-C group nearly linear and the other appreciably bent, with mean Co-N-C angles of 178.7 (1) and 160.4 (1) degrees , respectively. The [Zn(NCS)4]2- anion is approximately tetrahedral, with Zn-N = 1.951 (1)-1.986 (1) A, N-Zn-N = 104.5 (1)-111.9 (1) degrees and Zn-N-C = 152.5 (1)-179.4 (1) degrees. One NH group is hydrogen bonded to the ethanol O atom and the other NH groups are bonded to thiocyanate S atoms, forming a network.
Curtis
Neil F
NF
School of Chemical and Physical Sciences, Victoria University of Wellington, Box 600, Wellington, New Zealand. neil.curtis@vuw.ac.nz
Flood
Kelly
K
Robinson
Ward T
WT