Abstract
The structure of the title compound has been investigated by X-ray diffraction methods. The crystals are monoclinic, space groupP21/c, with unit cell parameters:a=11.394(3),b=6.381(2),c=17.413(4)Å, andβ=95.72(2)°. The structure was refined with 2369 unique reflections by a full-matrix least squares procedure givingR andR w of 3.2 and 4.2%, respectively. The cobalt complex forms a six coordinate distorted octahedral structure with the cobalt atom at a center of symmetry. The macrocyclic ligand presents eighteen of its 28 nonhydrogen atoms in a planar array about the cobalt atom. Only the two central trimethylene carbon atoms and four carbon atoms of each phenyl ring deviate by more than ±0.05 Å from this plane. Thetrans arrangement of substituents on the ligand of the complex confirms the structural assignment previously made based on NMR data and lends support to the proposed template reaction mechanism by which these complexes form.
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Wallace Baird, H., Jackels, S.C. & Lachgar, A. Structural confirmation of a template reaction mechanism: Structure of dichloro (2,9-dimethyl-3,10-diphenyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)cobalt(III) hexafluorophosphate. Journal of Crystallographic and Spectroscopic Research 23, 485–488 (1993). https://doi.org/10.1007/BF01182523
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DOI: https://doi.org/10.1007/BF01182523