The molecular structures of benzo-15-crown-5–Ca(NCS)2·MeOH and the corresponding water-solvated complex show a new irregular conformation of the crown ether (consistent with the i.r. spectra), and eight-co-ordination of calcium, comprising five ether oxygen atoms, two isothiocyanate nitrogen atoms, and one oxygen atom from the solvent.
J. D. Owen and J. N. Wingfield, J. Chem. Soc., Chem. Commun., 1976, 318 DOI: 10.1039/C39760000318
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