Acta Cryst. (2008). E64, m1179-m1180  [ doi:10.1107/S1600536808026147 ]

Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate

E. Kusrini, M. I. Saleh, R. Kia and H.-K. Fun

Abstract: The asymmetric unit of the title compound [systematic name: aquabis(2,4,6-trinitrophenolato)(3,6,9-trioxaundecane-1,11-diol)gadolinium(III) 2,4,6-trinitrophenolate methanol hemisolvate], [Gd(C₆H₂N₃O₇)₂(C₈H₁₈O₅)(H₂O)](C₆H₂N₃O₇)·0.5CH₄O, contains two crystallographically independent Gd^III complex cations with two uncoordinated picrate anions and one methanol molecule. Each Gd^III atom has nine coordination sites occupied by five O atoms of tetraethylene glycol as a pentadentate ligand, one O atom of a water molecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the Gd^III center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92 (8) and 86.60 (8)° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short OO and NO contacts between the nitro groups, intramolecular C-HO hydrogen bonds, intermolecular O-HO, O-HN and C-HO hydrogen bonds, and two - interactions between benzene rings [centroid-centroid distances = 3.8073 (10)-3.9831 (10) Å] are observed. The methanol solvent molecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

Online 16 August 2008

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