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Dicobalt(II) lead(II) hydrogenphos-phate(V) phos-phate(V) hydroxide monohydrate.

ABSTRACT: The title compound, Co(2)Pb(HPO(4))(PO(4))OH·H(2)O, which was synthesized under hydro-thermal conditions, crystallizes in a new structure type. Except for two O atoms in general positions and two Co atoms on centres of symmetry, all other atoms in the asymmetric unit (1 Pb, 2 Co, 2 P, 8 O and 4 H) are located on mirror planes. The structure is built up from two infinite linear chains, viz.(1) (?)[CoO(2/1)(H(2)O)(2/2)O(2/2)] and (1) (?)[CoO(2/1)(OH)(2/2)O(2/2)], of edge-sharing CoO(6) octa-hedra running along [010]. Adjacent chains are linked to each other through PO(4) and PO(3)(OH) tetra-hedra, leading to the formation of layers parallel to (100). The three-dimensional framework is formed by stacking along [100] of adjacent layers that are held together by distorted PbO(8) polyhedra. Hydrogen bonds of the type O-H?O involving the water mol-ecule are very strong, while those O atoms involving the OH groups form weak bifurcated and trifurcated hydrogen bonds.

SUBMITTER: Assani A

PROVIDER: S-EPMC3344284 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Dicobalt(II) lead(II) hydrogenphos-phate(V) phos-phate(V) hydroxide monohydrate.

Assani Abderrazzak A Saadi Mohamed M Zriouil Mohammed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

The title compound, Co(2)Pb(HPO(4))(PO(4))OH·H(2)O, which was synthesized under hydro-thermal conditions, crystallizes in a new structure type. Except for two O atoms in general positions and two Co atoms on centres of symmetry, all other atoms in the asymmetric unit (1 Pb, 2 Co, 2 P, 8 O and 4 H) are located on mirror planes. The structure is built up from two infinite linear chains, viz.(1) (∞)[CoO(2/1)(H(2)O)(2/2)O(2/2)] and (1) (∞)[CoO(2/1)(OH)(2/2)O(2/2)], of edge-sharing CoO(6) octa-hedra ...[more]

PMID: 22590050

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Project description:The magnetic circular dichroism (MCD) study of [Co(2)(mu-OH)(mu-Ph(4)DBA)(TMEDA)(2)(OTf)], in which Ph(4)DBA is the dinucleating bis(carboxylate) ligand dibenzofuran-4,6-bis(diphenylacetate) and TMEDA is N,N,N',N'-tetramethylethylenediamine, is presented. This complex serves as an excellent spectroscopic model for a number of dicobalt(II) enzymes and proteins that have both the mu-hydroxo, mu-carboxylato bridging and asymmetric 6- and 5-coordination. The low-temperature MCD spectrum of the model complex shows bands at 490, 504, and 934 nm arising from d-d transitions on the 6-coordinate Co(II) and bands at 471, 522, 572, 594, and 638 nm arising from d-d transitions on the 5-coordinate Co(II). The most intense MCD bands are at 504 and 572 nm for 6- and 5-coordinate Co(II), respectively, and these two bands are found in the MCD spectra of dicobalt(II)-substituted methionine aminopeptidase from Escherichia coli (CoCoMetAP), glycerophosphodiesterase from Enterobacter aerogenes (CoCoGpdQ), aminopeptidase from Aeromonas proteolytica (CoCoAAP), and myohemerythrin from Themiste zostericola (CoCoMyoHry). These dicobalt(II)-substituted proteins are known to have one 5- and one 6-coordinate Co(II) bridged by one or two carboxylates and either a water or a hydroxide. The uncertainty of the bridging water's state of protonation is problematic, as this is a likely candidate for the attacking nucleophile in the dimetallohydrolases. Analysis of the variable-temperature variable-field (VTVH) MCD data determined that the Co(II) ions in the model complex are ferromagnetically coupled with a J of 3.0 cm(-1). A comparison of all dicobalt(II) complexes and dicobalt(II)-substituted protein active sites with the mu-hydroxo/aqua, mu-carboxylato bridging motif reveals that J is either zero or negative (antiferromagnetic) in the mu-aqua systems and positive (ferromagnetic) in the mu-hydroxo systems. It was also determined that the Co(II) ions in CoCoAAP and CoCoMyoHry are ferromagnetically coupled, each with a J of 3.4 cm(-1), which suggests that these ions have a mu-hydroxo bridging ligand.

Dataset Information

Dicobalt(II) lead(II) hydrogenphos-phate(V) phos-phate(V) hydroxide monohydrate.

Publications

Dicobalt(II) lead(II) hydrogenphos-phate(V) phos-phate(V) hydroxide monohydrate.

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