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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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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 |
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. |
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