Redetermination at 180 K of a layered lanthanide–organic framework
authors Silva, Patricia; Fernandes, Jose A; Almeida Paz, Filipe A
nationality International
journal Acta crystallographica. Section E, Structure reports online
abstract The asymmetric unit of the title compound, poly[([mu]4-{[bis­(hydrogen phospho­natometh­yl)aza­nium­yl]meth­yl}phospho­nato)lanthanum(III)], [La(C3H9NO9P3)]n, comprises an La3+ center and a H3nmp3- anion (where H3nmp3- is a residue of partially deprotonated nitrilo­tris­(methyl­ene­phospho­nic acid), namely {[bis­(hydrogen phospho­natometh­yl)aza­nium­yl]meth­yl}­phos­pho­nate). This study concerns a structural redetermination using single-crystal X-ray diffraction data, collected at the low temperature of 180 K, of a recently investigated material whose structural details have been proposed from powder X-ray diffraction studies [Silva et al. (2011). J. Am. Chem. Soc. 133, 15120-15138]. The main difference between the two models rests on the position of the H atoms. While two H atoms were modeled as attached to the same phospho­nate group in the powder determination, in the current model, the same H atoms are instead distributed among two of these groups. The sample studied was an inversion twin.
issn 1600-5368
year published 2012
volume 68
issue Pt 3
beginning page m294
ending page 5
digital object identifier (doi) 10.1107/S1600536812005508
unique article identifier MEDLINE:22412438
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