Acta Crystallographica Section C

Volume 65, Part 9 (September 2009)


metal-organic compounds



fg3108 scheme

Acta Cryst. (2009). C65, m347-m351    [ doi:10.1107/S0108270109030510 ]

Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate

S. L. Bekö, J. W. Bats and M. U. Schmidt

Abstract: Poly[triaqua-[mu]4-fumarato-cobalt(II)], [Co(C4H2O4)(H2O)3]n, (I), contains two symmetry-independent octahedrally coordinated Co2+ ions, both on inversion centers. One Co2+ ion is coordinated by two water molecules and four fumarate dianions, whereas the other Co2+ ion is surrounded by four water molecules and two fumarate dianions. Each fumarate dianion is bonded to three Co2+ ions, leading to a two-dimensional structure. The fumarate dianions are nonplanar; the angle between the planes of the two carboxylate groups is 54.9 (2)°. The cobalt(II) fumarate layers are connected by hydrogen bonding into a three-dimensional network. Compound (I) is not isostructural with calcium(II) fumarate trihydrate [Gupta et al. (1972). Acta Cryst. B28, 135-139]. In poly[[mu]4-fumarato-dimethanolcobalt(II)], [Co(C4H2O4)(CH4O)2]n, (II), the Co2+ ions are octahedrally coordinated by four fumarate dianions and two methanol molecules, leading to a three-dimensional structure. The fumarate group is planar. The Co2+ ions and the fumarate dianions both lie on inversion centers. Additionally, the one-dimensional structure of catena-poly[[[tetraaquacobalt(II)]-[mu]2-fumarato] monohydrate], {[Co(C4H2O4)(H2O)4]·H2O}n, (III), was redetermined at a higher resolution, and the space group C2/c was confirmed.

Formula: [Co(C4H2O4)(H2O)3], [Co(C4H2O4)(CH4O)2] and [Co(C4H2O4)(H2O)4]·H2O


hkldisplay filedownload file

Structure factor file (CIF format) (118.4 kbytes)
[ doi:10.1107/S0108270109030510/fg3108Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (79.5 kbytes)
[ doi:10.1107/S0108270109030510/fg3108IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (89.5 kbytes)
[ doi:10.1107/S0108270109030510/fg3108IIIsup4.hkl ]
Contains datablock III


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