Abstract
The crystal structure of triaqua(1,10-diaza-18-crown-6)chlorobarium chloride [Ba(DA18C6)Cl(H2O)3]+Cl–(I) is studied by X-ray diffraction analysis: space group Pnma, a= 14.912, b= 13.590, c= 10.456 Å, Z= 4. Structure Iis solved by the direct method and refined by the full-matrix least-squares method in the anisotropic approximation: R= 0.079 for all 3194 measured independent reflections (CAD-4 diffractometer, λMoK α). Crystal Iexists as complex guest–host cations and Cl–anions connected via interionic hydrogen bonds. The cations and anions are located in the msymmetry plane. The Ba2+ion (coordination number 10) is in the cavity of the DA18C6 macrocycle and is coordinated by its six heteroatoms (2N + 4O) and also by the Cl–anion and two O atoms of two water molecules from one side of the macrocycle and by the O atom of the third water molecule from another side. The DA18C6 ligand in Ihas the conformation of a crown with an approximate D 3d symmetry.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
Host Guest Complex Chemistry Macrocycles, Vögtle, F. and Weber, E., Eds., Berlin: Springer-Verlag, 1985. Translated under the title Khimiya kompleksov "gost'—khozyain". Sintez, struktury i primeneniya, Moscow: Mir, 1988.
Cram, D.J. and Cram, J.M., Container Molecules and Their Guests, Cambridge: The Royal Society of Chemistry, 1994.
Allen, F.H. and Kennard, O., Chem. Des. Autom. News, 1993, vol. 8, no. 1, pp. 1, 31.
Pettit, W.A. and Baenziger, N.C., Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1994, vol. 50, no. 2, p. 221.
Sheldrick, G.M., SHELX97, Göttingen: Univ. of Göttingen, 1997.
International Tables for Crystallography, Dordrecht: Kluwer, 1992, vol. C.
Bochkova, R.I., Grishin, I.A., Kuz'min, E.A., and Belov, N.V., Kristallografiya, 1980, vol. 25, no. 5, p. 1064.
Kahwa, I.A., Miller, D., Michel, M., et al., Inorg. Chem., 1992, vol. 31, no. 19, p. 3963.
Fender, N.S., Finegan, S.S., Miller, D., et al., Inorg. Chem., 1994, vol. 33, no. 18, p. 4002.
Chekhlov, A.N., Yurtanov, A.I., and Martynov, I.V., Dokl. Akad. Nauk SSSR, 1991, vol. 320, no. 5, p. 1179.
Solov'ev, V.N., Chekhlov, A.N., and Martynov, I.V., Koord. Khim., 1991, vol. 17, no. 5, p. 618.
Chekhlov, A.N. and Martynov, I.V., Dokl. Akad. Nauk, 1997, vol. 356, no. 3, p. 357.
Chekhlov, A.N. and Martynov, I.V., Dokl. Akad. Nauk, 1997, vol. 357, no. 1, p. 75.
Chekhlov, A.N., Zh. Strukt. Khim., 1999, vol. 40, no. 1, p. 93.
Chekhlov, A.N., Koord. Khim., 2000, vol. 26, no. 1, p. 73.
Inerowicz, H.D., Khan, M.A., Atkinson, G., and White, R.L., Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1994, vol. 50, no. 5, p. 688.
Taylor, R. and Kennard, O., J. Am. Chem. Soc., 1982, vol. 104, no. 19, p. 5063.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Chekhlov, A.N. Crystal Structure of Triaqua(1,10-diaza-18-crown-6)chlorobarium Chloride. Russian Journal of Coordination Chemistry 27, 381–386 (2001). https://doi.org/10.1023/A:1011331523803
Issue Date:
DOI: https://doi.org/10.1023/A:1011331523803