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The monomeric structure of cis-dichloro[3-(1,4,7,10- tetraazacyclododecan-1-yl)toluic acid-κ4N]cobalt(III) chloride monohydrate, [CoCl2(C16H26N4O2)]·Cl.H2O, has been determined. Previous work has only yielded the structure of the dinuclear complex or the monomeric complex in powdered form. Crystallization was effected from concentrated hydrochloric acid which contributed to the retention of the chlorides coordinated to the cobalt as well as providing the chloride counteranion. Hydrogen bonding of the hydroxyl group of the carboxylic acid function to the chloride counteranion played a significant role in the formation of crystals of this species.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks kardic, global

hkl

Structure factor file (CIF format)
Contains datablock kardic

CCDC reference: 129739

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