Structural Chemistry

, Volume 4, Issue 3, pp 191–198 | Cite as

Metal ion coordination in cobalt formate dihydrate

  • Amy Kaufman
  • Carol Afshar
  • Miriam Rossi
  • David E. Zacharias
  • Jenny P. Glusker


The structure of cobalt formate dihydrate, Co(HCO2)2 · 2H2O, was determined using single-crystal X-ray diffraction data. The crystals are monoclinic, space groupP21/c, with unit-cell dimensionsa=8.680(2),b=7.160(2),c=9.272(2) Å,β=97.43(2)°,V=571.4(3) Å3Z=4.Robs=0.038 for 1282 unique reflections withI>3σ(I). The crystal structure is found to be isomorphous with those of other divalent metal formates. This structure is interesting crystallographically because the Patterson map is homometric with respect to the positions of the heavy atoms. The asymmetric unit consists of two independent cobalt atoms on special positions, two formate ions (HCOO), and two water molecules. The two cobalt atoms are each coordinated to six oxygen atoms in an octahedral arrangement. One of the cobalt octahedra contains only oxygen atoms from six formate ions. The second cobalt ion is surrounded by four water molecules and an oxygen atom from each of two formate ions. The two different octahedra are bridged by one of the formate ions and by hydrogen bonds. This network extends in a three-dimensional polymeric manner throughout the crystal structure. Each of the four oxygen atoms in the two independent formate ions forms a hydrogen bond to water and is coordinated to a metal ion. It is found that the metal ions lie in the plane of the formate carboxyl group to which they are coordinated, while molecules to which the formate ion is hydrogen bonded lie more out of this plane.

Key words

Metal ion-carboxylate interactions hydrogen bonding X-ray 


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  1. 1.
    Krogmann, K.; Mattes, R.Z Kristallogr. 1963,18, 291.Google Scholar
  2. 2.
    Osaki, K.; Nakai, Y.; Watanabe, T.J. Phys. Soc. Jpn. 1964,19, 717.Google Scholar
  3. 3.
    Bukowska-Strzyzewska, M.Acta Crystallogr. 1965,19, 357.Google Scholar
  4. 4.
    Kay, M. I.; Almodovar, I.; Kaplan, S. F.Acta Crystallogr. 1968,B24, 1312.Google Scholar
  5. 5.
    Osaki, K.; Nakai, Y.; Watanabe, T.J. Phys. Soc. Jpn. 1963,18, 919.Google Scholar
  6. 6.
    Hoy, G. R.; Barros, S.; Barros, F.; Friedberg, S. A.J. Appl. Phys. 1965,36, 936.Google Scholar
  7. 7.
    Burlet, P.; Rossat-Mignod, J.; Matsuura, M.J. Phys. Lett. 1979,40, 455.Google Scholar
  8. 8.
    Johnson, C. K. 1620 Programs from I.C.R. (I.C.R. No. 10) Absorption factors for a crystal ground as an ellipsoid of revolution, 1963.Google Scholar
  9. 9.
    Sheldrick, G. M.SHELXS-86 In:Crystallographic Computing 3; Sheldrick, G. M.; Kruger, C.; Goddard, R.; Eds.; Oxford University Press: New York, 1985, p 175.Google Scholar
  10. 10.
    Carrell, H. L.; Shieh, H.-S.; Takusagawa, F. The Crystallographic Program Library of The Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA 1981.Google Scholar
  11. 11.
    Patterson, A. L.Phys. Rev. 1944,65, 195.Google Scholar
  12. 12.
    Ibers, J. A.; Hamilton, W. C.; Eds.International Tables for X-ray Crystallography, Vol. IV; revised and supplementary tables to vols. II and III. The International Union of Crystallography: Kynoch Press: Birmingham, 1974.Google Scholar
  13. 13.
    Davies, E. K. The CHEMGRAF suite. Oxford University Computing Laboratory: Oxford, England, 1983.Google Scholar
  14. 14.
    Carrell, H. L. VIEW. Program from The Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA, 1976.Google Scholar
  15. 15.
    Carrell, C. J.; Carrell, H. L.; Erlebacher, J.; Glusker, J. P.J. Am. Chem. Soc. 1988,110, 8651.Google Scholar
  16. 16.
    Carrell, H. L.; Glusker, J. P.; Burger, V.; Manfre, F.; Tritsch, D.; Biellmann, J-F.Proc. Natl. Acad. Sci. U.S.A. 1989,86, 4440.Google Scholar
  17. 17.
    Beese, L. S.; Steitz, T. A.The EMBO J. 1991,10, 25.Google Scholar
  18. 18.
    Glusker, J. P.Adv. Protein Chem. 1991,42, 1.Google Scholar
  19. 19.
    Brown, I. D.Acta Crystallogr. 1988,B44, 545.Google Scholar

Copyright information

© Plenum Publishing Corporation 1993

Authors and Affiliations

  • Amy Kaufman
    • 1
  • Carol Afshar
    • 1
  • Miriam Rossi
    • 1
    • 2
  • David E. Zacharias
    • 1
  • Jenny P. Glusker
    • 1
  1. 1.The Institute for Cancer ResearchThe Fox Chase Cancer CenterPhiladelphia
  2. 2.Vassar CollegePoughkeepsie

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