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In the crystal structure of the title compound, C16H38N42+.2Cl.3H2O, a rather complex hydrogen-bonding network is observed. The macrocycle is stabilized as a dication, 5,5,7,12,12,14-hexamethyl-1,8-diaza-4,11-diazoniacyclotetradecane, forming NH...Cl and NH...O hydrogen bonds. The water molecules are distinguished by their inequality in structure formation. They are involved in different types of intermolecular hydrogen bond in the crystal lattice.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks paper, I

fcf

Structure factor file (CIF format)
Contains datablock simon11

CCDC reference: 129696

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