Abstract
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 site symmetry and the three (H2pip)2+ cations each have site symmetry at the centres of the molecules. The central P atom is on special position , 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.
Highlights
Anion and half a piperazinediium cation, (H2pip)2+
The central P atom is on special position 3, which is a roto-inversion position and generates the disorder of the PO4 tetrahedron
Six doubly bridging oxide groups are disordered with an occupancy factor of 0.5 for each O atom
Summary
Yu-kun Lu,a,b Ji-qing Xub* and Hai-hui Yuc a College of Chemistry and Chemical Engineering, China University of Petroleum China), Qingdao Shandong 266555, People’s Republic of China, bCollege of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130023, People’s Republic of China, and cCollege of Chemical Engineering, Northeast Dianli University, Jilin 132012, People’s Republic of China. 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 3 site symmetry and the three (H2pip)2+ cations each have 1 site symmetry at the centres of the molecules. The central P atom is on special position 3, which is a roto-inversion position and generates the disorder of the PO4 tetrahedron. Six doubly bridging oxide groups are 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
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