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 Gd^III 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)₄]·xH₂O (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.


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

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

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

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search