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

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

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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 GdIII complex cations with two uncoordinated replica beach walk candle picrate anions and one methanol molecule.Each GdIII 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 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 operation igloo white and N.O contacts between the nitro groups, intramolecular C—H.O hydrogen bonds, intermolecular O—H.

O, O—H.N and C—H.O hydrogen bonds, and two π–π 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.