trans-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride

The crystal and molecular structures of the title compound, [CoCl₂(C₁₀H₂₄N₄)]Cl.4H₂O.0.47HCl, have been determined and establish that the trans-[CoCl₂(cyclam)]⁺ cations crystallize as the trans-RSSR species. The Co atom occupies a crystallographic centre of symmetry and is in a tetragonally elongated octahedral coordinated array, comprising the four nitrogen atoms of the macrocycle and two Cl atoms. The chloride counterion exhibits statistical disorder, while one of the solvate water molecules also exhibits orientational disorder as a result of partial protonation. In the crystal packing, all possible hydrogen bonds are formed. The trans-[CoCl₂(cyclam)]⁺ cations are stacked into columns along the b direction forming channels which are occupied by the chloride counterion and the water molecules.

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