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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
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author Kusrini, Eny
Saleh, Muhammad Idiris
Kia, Reza
Fun, Hoong-Kun
author_facet Kusrini, Eny
Saleh, Muhammad Idiris
Kia, Reza
Fun, Hoong-Kun
author_sort Kusrini, Eny
collection PubMed
description 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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spelling pubmed-29605752010-12-30 Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate Kusrini, Eny Saleh, Muhammad Idiris Kia, Reza Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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. International Union of Crystallography 2008-08-16 /pmc/articles/PMC2960575/ /pubmed/21201623 http://dx.doi.org/10.1107/S1600536808026147 Text en © Kusrini et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Kusrini, Eny
Saleh, Muhammad Idiris
Kia, Reza
Fun, Hoong-Kun
Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title_full Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title_fullStr Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title_full_unstemmed Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title_short Aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(III) picrate methanol hemisolvate
title_sort aqua­dipicrato(tetra­ethyl­ene glycol)gadolinium(iii) picrate methanol hemisolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960575/
https://www.ncbi.nlm.nih.gov/pubmed/21201623
http://dx.doi.org/10.1107/S1600536808026147
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