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Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]nickel(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

ABSTRACT: The hydro-thermally prepared title compound, [Ni(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is a member of the isotypic series [(M(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O where M is Mn, Cd, and Fe. The Ni(2+) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the one-electron reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the isotypic structures, the main difference is related with the M-N bond lengths, whereas all other bond lengths, angles and the hydrogen-bonding motifs are very similar.

SUBMITTER: Hao L

PROVIDER: S-EPMC2983742 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]nickel(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Hao Lujiang L Liu Tongjun T Chen Jiangkui J Zhang Xiaofei X

Acta crystallographica. Section E, Structure reports online 20100220 Pt 3

The hydro-thermally prepared title compound, [Ni(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is a member of the isotypic series [(M(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O where M is Mn, Cd, and Fe. The Ni(2+) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the one-electron reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H⋯O and ...[more]

PMID: 21580258

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Project description:The hydro-thermally prepared title compound, [Cd(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is isotypic with its Mn(II) analogue [Hao et al. (2010 ?). Acta Cryst. E66, m231-m232]. The Cd(II) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the Mn(II) analogue, the Cd-N bond lengths are longer at 2.316?(7)-2.334?(6)?Å, versus 2.224?(6)-2.283?(5)?Å for Mn-N, whereas all other bond lengths and angles and the hydrogen-bonding motifs are very similar in the two structures.

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Project description:Crystals of the title compound, [Fe(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, prepared under hydro-thermal conditions, are isotypic with the Mn(2+) and Cd(2+) analogues. The Fe(2+) cation is in a distorted octa-hedral coordination by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. The heteropoly-anion [PMo(12)O(40)](4-) is a one-electron reduced species in which two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds make a contribution to the crystal packing. The Fe-N bond lengths [2.085?(19)-2.15?(2)?Å] are somewhat shorter than the Mn-N and Cd-N bond lengths [2.224?(6)-2.283?(5) and 2.316?(7)-2.334?(6)?Å, respectively]. All other bond lengths and angles and the hydrogen-bonding motifs are very similar in the isotypic structures.

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