Journal article

A molecular mechanics analysis of [Co (medien) n (dien)2-n]3 {n0-2} (dien diethylenetriamine or 1,5-diamino-3-azapentane; medien 3 - methyl-1,5- diamino-3 azapentane), and X-ray structural studies of the mer- and s-fac- [Co (medien) (dien)]3 cations

IM Atkinson, F Richard Keene, JM Gulbis, GH Searle, ERT Tiekink

Journal of Molecular Structure | Published : 1992

Abstract

Crystals of mer-[Co(medien) (dien)]Br2(ClO4)·H2O (1 crystallize in the monoclinic space group P21/n with unit cell dimensions a=12.206(2), b=12.744(1), c=12.712(2) Å, β=94.99(1)°, V=1969.9 Å3, Z=4; crystals of s-fac- [Co (medien) (dien) ] (S2O6)1.5·0.5H2O (2) are monoclinic, space group P21 with a=9.772(3), b=10.512(2), c=19.263(4) Å, β=92.24(2)°, V=2014.2 Å3, Z=4. The structures were refined by a full-matrix least-squares procedures in each case. At convergence, final R0.065, Rw0.067 for 2578 reflections with I≥2.5σ (I for (1) and R0.061, Rw0.061 for 2845 reflections for (2). A molecular mechanics study of the isomers of the bis (tridentate)cobalt(III) complexes [Co(medien)n(dien)2-n]3+,n=0..

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