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

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(C(6)H(2)N(3)O(7))(2)(C(8)H(18)O(5))(H(2)O)](C(6)H(2)N(3)O(7))·0.5CH(4)O, contains two crystallographicall...

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Detalles Bibliográficos
Autores principales: Kusrini, Eny, Saleh, Muhammad Idiris, Kia, Reza, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960575/
https://www.ncbi.nlm.nih.gov/pubmed/21201623
http://dx.doi.org/10.1107/S1600536808026147
Descripción
Sumario: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(C(6)H(2)N(3)O(7))(2)(C(8)H(18)O(5))(H(2)O)](C(6)H(2)N(3)O(7))·0.5CH(4)O, 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 O⋯O 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.