Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)

metal-organic compounds

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:N2')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 [N...O = 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 [O...O = 2.565 (3) and 2.616 (3) Å] to the carboxylate groups in the next layer [O...O = 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

hkldisplay filedownload file

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

hkldisplay filedownload file

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


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