caa a22 4500 469059249 CHVBK 20180323132852.0 cr unu---uuuuu 170328e19920101xx s 000 0 eng 10.1007/BF01053875 doi (NATIONALLICENCE)springer-10.1007/BF01053875 X-ray structural study of a zinc(II) inclusion complex of a phenolate-pendant cyclam [Elektronische Daten] [Eiichi Kimura, Hiromasa Kurosaki, Tohru Koike, Koshiro Toriumi] The molecular structure of phenol-pendant cyclam-zinc(II) complex,4a, has been determined by X-ray structure analysis. Crystals of4a · ClO4 · CH3OH (C16H27N4OZn · ClO4 · CH3OH) are monoclinic, space groupP21/nn, with four molecules in the unit cell of dimensionsa=31.198(2) Å,b=8.426(1) Å,c=8.214(1) Å, andβ=93.96(1)°. The structure was solved by the heavy atom method and refined anisotropically toR=0.044,R w=0.062 for 1551 independent reflections. The complex assumes a five-coordinate, square pyramidal geometry, where zinc(II) is surrounded by the cyclam moiety in a planar fashion with the pendant phenolate anion occupying an axial position. An extremely short Zn-O(phenolate) bond distance of 1.983(5) Å, in conjunction with the 0.288 Å displacement of Zn(II) above the cyclam N4 plane toward the phenolate, accounts for the extremely low pK a value of 5.8 for the pendant phenol. These facts about4a, in comparison with the previous findings for the Ni(II) (4b) and Cu(II) complexes (4c) with the same ligand, illustrate well the characteristics of zinc(II) ion coordination properties. Kluwer Academic Publishers, 1992 Charles Pedersen nationallicence crown ethers nationallicence phenol-pendant cyclam-zinc(II) complex nationallicence crystal structure nationallicence Kimura Eiichi Department of Pharmaceutical Chemistry, Hiroshima University School of Medicine, Kasumi 1-2-3, 734, Hiroshima, Japan aut Kurosaki Hiromasa Coordination Chemistry Laboratories, Institute for Molecular Science, Okazaki National Research Institutes, Nishigonaka 38, Myodaiji, 444, Okazaki, Japan aut Koike Tohru Department of Pharmaceutical Chemistry, Hiroshima University School of Medicine, Kasumi 1-2-3, 734, Hiroshima, Japan aut Toriumi Koshiro Coordination Chemistry Laboratories, Institute for Molecular Science, Okazaki National Research Institutes, Nishigonaka 38, Myodaiji, 444, Okazaki, Japan aut Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 12/1-4(1992-01-01), 377-387 0923-0750 12:1-4<377 1992 12 10847 https://doi.org/10.1007/BF01053875 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01053875 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kimura Eiichi Department of Pharmaceutical Chemistry, Hiroshima University School of Medicine, Kasumi 1-2-3, 734, Hiroshima, Japan aut NATIONALLICENCE 700 1- Kurosaki Hiromasa Coordination Chemistry Laboratories, Institute for Molecular Science, Okazaki National Research Institutes, Nishigonaka 38, Myodaiji, 444, Okazaki, Japan aut NATIONALLICENCE 700 1- Koike Tohru Department of Pharmaceutical Chemistry, Hiroshima University School of Medicine, Kasumi 1-2-3, 734, Hiroshima, Japan aut NATIONALLICENCE 700 1- Toriumi Koshiro Coordination Chemistry Laboratories, Institute for Molecular Science, Okazaki National Research Institutes, Nishigonaka 38, Myodaiji, 444, Okazaki, Japan aut NATIONALLICENCE 773 0- Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 12/1-4(1992-01-01), 377-387 0923-0750 12:1-4<377 1992 12 10847 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer