A gadolinium‐based metal–organic framework, poly[[tris­(μ4‐benzene‐1,4‐dicarboxyl­ato)bis­(μ2‐N,N‐diethyl­formamide)digadolinium(III)] monohydrate]

The crystal structure of the title compound, {[Gd2(C8H4O4)3(C5H11NO)2]·H2O}n, consists of chains of Gd atoms inter­connected by a benzene‐1,4‐dicarboxyl­ate (BDC) linker. The chains are also intra­connected by carboxyl­ate groups from the BDC linker, thus generating a three‐dimensional framework wit...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2005-07, Vol.61 (7), p.m1337-m1339
Hauptverfasser: Poulsen, Rasmus D., Overgaard, Jacob, Chevallier, Marie‐Agnes, Clausen, Henrik F., Iversen, Bo B.
Format: Artikel
Sprache:eng
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Zusammenfassung:The crystal structure of the title compound, {[Gd2(C8H4O4)3(C5H11NO)2]·H2O}n, consists of chains of Gd atoms inter­connected by a benzene‐1,4‐dicarboxyl­ate (BDC) linker. The chains are also intra­connected by carboxyl­ate groups from the BDC linker, thus generating a three‐dimensional framework with large cavities. The coordination of the eight carboxyl­ate O atoms around the GdIII ion is distorted dodeca­hedral, due to the steric constraints of the carboxyl­ate groups. The large anisotropic displacement parameters of the atoms of the coordinated diethyl­formamide (DEF) and the disorder in their positions indicate loose bonding to the framework, and hence solvent exchange may be possible. Additionally, one water mol­ecule is located in the cavity.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536805018271