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Tris(piperazinediium) phosphatododeca-molybo(V,VI)phosphate.

Lu YK, Xu JQ, Yu HH - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The central P atom is on special position , which is a roto-inversion position and generates the disorder of the PO(4) tetra-hedron.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 inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

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ABSTRACT
The title compound, (C(4)H(12)N(2))(3)[PMo(12)O(40)] or (H(2)pip)(3)[PMo(12)O(40)] (pip is piperazine), was prepared under hydro-thermal conditions. The asymmetric unit contains one-sixth of a mixed-valent Mo(V,VI) pseudo-Keggin-type [PMo(12)O(40)](6-) anion and half a piperazinediium cation, (H(2)pip)(2+). The discrete Keggin-type [PMo(12)O(40)](6- )anion has site symmetry and the three (H(2)pip)(2+) cations each have site symmetry at the centres of the mol-ecules. The central P atom is on special position , which is a roto-inversion position and generates the disorder of the PO(4) tetra-hedron. 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 inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

No MeSH data available.


A view of the molecule of (I) with displacement ellipsoids drawn at the 30% probability level. H atoms have been omitted. [Symmetry codes: (i) -x, -y, -z; (ii)x-y, x, -z; (iii) -x + y, -x, z; (iv) -y, x-y, z; (v) y, -x + y, -z; (vi) -x + 2/3,-y + 1/3, -z + 1/3]
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Fap1: A view of the molecule of (I) with displacement ellipsoids drawn at the 30% probability level. H atoms have been omitted. [Symmetry codes: (i) -x, -y, -z; (ii)x-y, x, -z; (iii) -x + y, -x, z; (iv) -y, x-y, z; (v) y, -x + y, -z; (vi) -x + 2/3,-y + 1/3, -z + 1/3]


Tris(piperazinediium) phosphatododeca-molybo(V,VI)phosphate.

Lu YK, Xu JQ, Yu HH - Acta Crystallogr Sect E Struct Rep Online (2010)

A view of the molecule of (I) with displacement ellipsoids drawn at the 30% probability level. H atoms have been omitted. [Symmetry codes: (i) -x, -y, -z; (ii)x-y, x, -z; (iii) -x + y, -x, z; (iv) -y, x-y, z; (v) y, -x + y, -z; (vi) -x + 2/3,-y + 1/3, -z + 1/3]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983689&req=5

Fap1: A view of the molecule of (I) with displacement ellipsoids drawn at the 30% probability level. H atoms have been omitted. [Symmetry codes: (i) -x, -y, -z; (ii)x-y, x, -z; (iii) -x + y, -x, z; (iv) -y, x-y, z; (v) y, -x + y, -z; (vi) -x + 2/3,-y + 1/3, -z + 1/3]
Bottom Line: The central P atom is on special position , which is a roto-inversion position and generates the disorder of the PO(4) tetra-hedron.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 inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, (C(4)H(12)N(2))(3)[PMo(12)O(40)] or (H(2)pip)(3)[PMo(12)O(40)] (pip is piperazine), was prepared under hydro-thermal conditions. The asymmetric unit contains one-sixth of a mixed-valent Mo(V,VI) pseudo-Keggin-type [PMo(12)O(40)](6-) anion and half a piperazinediium cation, (H(2)pip)(2+). The discrete Keggin-type [PMo(12)O(40)](6- )anion has site symmetry and the three (H(2)pip)(2+) cations each have site symmetry at the centres of the mol-ecules. The central P atom is on special position , which is a roto-inversion position and generates the disorder of the PO(4) tetra-hedron. 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 inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

No MeSH data available.