
TY  - JOUR
A1  - Taylor, SG 
A1  - Snow, MR 
A1  - Hambley, TW 
T1  - The structures and energy minimization analyses of the macrotricyclic cage complex [Co(nosartacn)]<sup>3+</sup> and its precursor [Co(taetacn)]<sup>3+</sup>
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1983
VL  - 36
IS  - 12
SP  - 2359
EP  - 2368
KW  - 
UR  - https://doi.org/10.1071/CH9832359 
N2  - The crystal structures of (-)487-[Co(taetacn)] (ClO4)3 [taetacn = 1,4,7-tri(2-aminoethy1)-1,4,7-triazacyclononane] and (+)490-[Co(nosartacn)] (S2O6)3/2.4H2O (nosartacn = 9-nitro-1,4,7,11,14,19- hexaazatricyclo[7.7.4.24.14]docosane) have been determined. Crystals of the former complex (1) are cubic, space group P213, a 13.168(5) Å, whereas the latter (2) are orthorhombic, space group C2221, a 10.22(1), b 6.944(8), c 32.33(1) Å. The structures were refined by blocked-matrix least-squares methods to R factors of 0.040 and 0.050 on 952 and 2318 F respectively. The absolute configurations and conformations are described as &#916;(&#955;&#948;) for (1) and &#923;(&#955;&#948;) for (2). Molecular mechanics studies of conformers of both complexes show that the solid-state geometries are the most energetically favourable, and that other possible conformers are destabilized by coupling of the five-membered chelate rings through the tertiary nitrogen atoms. 
ER  -

