The asymmetric unit of the title compound [systematic name: aqua-bis(2,4,6-trinitro-phenolato)(3,6,9-trioxaundecane-1,11-diol) gadolinium(III) 2,4,6-trinitro-phenolate methanol hemi-solvate], [Gd(C6H2N3O7)2(C8H18O5)(H2O)](C6H2N3O7)·0.5CH4O, contains two crystallographically independent GdIII complex cations with two uncoordinated picrate anions and one methanol mol-ecule. Each GdIII atom has nine coordination sites occupied by five O atoms of tetra-ethyl-ene glycol as a penta-dentate ligand, one O atom of a water mol-ecule 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 GdIII 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 O⋯O and N⋯O contacts between the nitro groups, intra-molecular C - H⋯O hydrogen bonds, inter-molecular O - H⋯O, O - H⋯N and C - H⋯O hydrogen bonds, and two π-π inter-actions between benzene rings [centroid-centroid distances = 3.8073 (10)-3.9831 (10) Å] are observed. The methanol solvent mol-ecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|Publication status||Published - 2008|