Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)

metal-organic compounds

eg3109 scheme

Acta Cryst. (2013). C69, 232-236 [ doi:10.1107/S0108270113003405 ]

Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate

O. M. Nazarenko, E. B. Rusanov, A. N. Chernega and K. V. Domasevitch

Abstract: In poly[[bis( [mu] -4,4'-bi-1H-pyrazole- [kappa] ²N²:N^2')bis(3-carboxyadamantane-1-carboxylato- [kappa] O¹)cobalt(II)] dihydrate], {[Co(C₁₂H₁₅O₄)₂(C₆H₆N₄)₂]·2H₂O}_n, (I), the Co²⁺ cation lies on an inversion centre and the 4,4'-bipyrazole (4,4'-bpz) ligands are also situated across centres of inversion. In its non-isomorphous cadmium analogue, {[Cd(C₁₂H₁₅O₄)₂(C₆H₆N₄)₂]·2H₂O}_n, (II), the Cd²⁺ cation lies on a twofold axis. In both compounds, the metal cations adopt an octahedral coordination, with four pyrazole N atoms in the equatorial plane [Co-N = 2.156 (2) and 2.162 (2) Å; Cd-N = 2.298 (2) and 2.321 (2) Å] and two axial carboxylate O atoms [Co-O = 2.1547 (18) Å and Cd-O = 2.347 (2) Å]. In both structures, interligand hydrogen bonding [NO = 2.682 (3)-2.819 (3) Å] is essential for stabilization of the MN₄O₂ environment with its unusually high (for bulky adamantanecarboxylates) number of coordinated N-donor co-ligands. The compounds adopt two-dimensional coordination connectivities and exist as square-grid [M(4,4'-bpz)₂]_n networks accommodating monodentate carboxylate ligands. The interlayer linkage is provided by hydrogen bonds from the carboxylic acid groups via the solvent water molecules [OO = 2.565 (3) and 2.616 (3) Å] to the carboxylate groups in the next layer [OO = 2.717 (3)-2.841 (3) Å], thereby extending the structures in the third dimension.

Formula: [Co(C₁₂H₁₅O₄)₂(C₆H₆N₄)₂]·2H₂O and [Cd(C₁₂H₁₅O₄)₂(C₆H₆N₄)₂]·2H₂O


	Structure factor file (CIF format) (185.2 kbytes) [ doi:10.1107/S0108270113003405/eg3109Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (189.5 kbytes) [ doi:10.1107/S0108270113003405/eg3109IIsup3.hkl ] Contains datablock II

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