Acta Crystallographica Section B

Structural Science

Volume 68, Part 5 (October 2012)

research papers

Acta Cryst. (2012). B68, 528-535    [ doi:10.1107/S0108768112032053 ]

Topological studies of three related metal-organic frameworks of GdIII and 5-nitroisophthalate

K. Davies, S. A. Bourne, L. Öhrström and C. L. Oliver

Abstract: The reaction of 5-nitroisophthalic acid (H2NIA) with Gd(NO3)3·6H2O in DMF afforded three new metal-organic frameworks: [Gd(NIA)1.5(DMF)2]·DMF (I), [Gd2(NIA)3(DMF)4xH2O (II) and [Gd4(NIA)6(DMF)5.5(H2O)3]·4DMF·H2O (III). These compounds can be prepared through a variety of methods. Compounds (I) and (II) are more reproducibly formed than compound (III). Network analysis revealed (I) to have a (412.63)-pcu topology, while (II) displays a (42.84)(42.84)-pts topology. Compound (III) was found to present the uncommon 4,5,6T11 topological net, which combines aspects of both the pcu and pts topologies. The short symbol of this net is (44.62)(46.64)2(48.66.8).

Keywords: metal-organic framework; topological analysis; lanthanide.

hkldisplay filedownload file

Structure factor file (CIF format) (383.4 kbytes)
[ doi:10.1107/S0108768112032053/hw5022Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (578.3 kbytes)
[ doi:10.1107/S0108768112032053/hw5022IIsup3.hkl ]
Contains datablock II

hkldisplay filedownload file

Structure factor file (CIF format) (1219.9 kbytes)
[ doi:10.1107/S0108768112032053/hw5022IIIsup4.hkl ]
Contains datablock III


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