Tris(piperazinediium) phosphatododecamolybo(V,VI)phosphate

The title compound, (C4H12N2)3[PMo12O40] or (H2pip)3[PMo12O40] (pip is piperazine), was prepared under hydrothermal conditions. The asymmetric unit contains one-sixth of a mixed-valent Mo(V,VI) pseudo-Keggin-type [PMo12O40]6− anion and half a piperazinediium cation, (H2pip)2+. The disc...

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Bibliographic Details
Main Authors: Hai-hui Yu, Ji-qing Xu, Yu-kun Lu
Format: Article
Language:English
Published: International Union of Crystallography 2010-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810002473
Description
Summary:The title compound, (C4H12N2)3[PMo12O40] or (H2pip)3[PMo12O40] (pip is piperazine), was prepared under hydrothermal conditions. The asymmetric unit contains one-sixth of a mixed-valent Mo(V,VI) pseudo-Keggin-type [PMo12O40]6− anion and half a piperazinediium cation, (H2pip)2+. The discrete Keggin-type [PMo12O40]6- anion has overline{3} site symmetry and the three (H2pip)2+ cations each have overline{1} site symmetry at the centres of the molecules. The central P atom is on special position overline{3}, which is a roto-inversion position and generates the disorder of the PO4 tetrahedron. Furthermore, six doubly bridging oxide groups are also disordered with an occupancy factor of 0.5 for each O atom. The anions and cations are linked by an extensive network of intermolecular N—H...O and C—H...O hydrogen bonds.
ISSN:1600-5368