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Crystal structure of the Anderson-type hetero-polyoxometalate; K2[H7Cr(III)Mo6O24]·8H2O: a redetermination revealing the position of the extra H atom in the polyanion.

Joo HC, Park KM, Lee U - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound contains a symmetric hydrogen bond in which the H atom does not lie on a crystallographic centre of symmetry.The structure of K2[H7Cr(III)Mo6O24]·8H2O, namely dipotassium hepta-hydrogen hexa-molybdochromate(III) octa-hydrate, previously reported by Lee [Acta Cryst. (2007), E63, i5-i7], has been redetermined in order to locate the position of the seventh H atom in the anion.This short bond, together with two normal hydrogen bonds, link the two crystallographically distinct centrosymmetric polyanions into chains along [011], while the length of this bond [2.461 (3) Å] suggests that the H atom lies at its centre, but unusually for such a bond, this point is not a crystallographic centre of symmetry.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.

ABSTRACT
The title compound contains a symmetric hydrogen bond in which the H atom does not lie on a crystallographic centre of symmetry. The structure of K2[H7Cr(III)Mo6O24]·8H2O, namely dipotassium hepta-hydrogen hexa-molybdochromate(III) octa-hydrate, previously reported by Lee [Acta Cryst. (2007), E63, i5-i7], has been redetermined in order to locate the position of the seventh H atom in the anion. Six of the H atoms are bonded to the six μ3-O atoms and form hydrogen bonds of medium strength either to water mol-ecules or to the terminal O atoms of other polyanions. The seventh H atom forms a very short hydrogen bond between two μ2-O atoms on adjacent polyanions. This short bond, together with two normal hydrogen bonds, link the two crystallographically distinct centrosymmetric polyanions into chains along [011], while the length of this bond [2.461 (3) Å] suggests that the H atom lies at its centre, but unusually for such a bond, this point is not a crystallographic centre of symmetry.

No MeSH data available.


Polyhedral view of the heteropolyanion in (I), with O⋯O contacts of the inter-polyanion hydrogen bonds shown as dashed lines. [Symmetry codes; (i) −x + 1, −y, −z + 1; (ii) x, y, z − 1; (iii) −x + 1, −y + 1, −z + 1; (iv) x, y + 1, z; (v) −x + 1, −y + 1, −z + 2.]
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fig3: Polyhedral view of the heteropolyanion in (I), with O⋯O contacts of the inter-polyanion hydrogen bonds shown as dashed lines. [Symmetry codes; (i) −x + 1, −y, −z + 1; (ii) x, y, z − 1; (iii) −x + 1, −y + 1, −z + 1; (iv) x, y + 1, z; (v) −x + 1, −y + 1, −z + 2.]

Mentions: Two discrete polyanions A and B are linked into chains along [011] by two normal, and one strong and pseudosymmetric hydrogen bonds (Table 1 ▸ and Fig. 3 ▸). The K+ ions are variously coordinated by O atoms as [K1(OT)4(OW)4]+ and [K2(OT)4(OB)(OW)3]+ in the distance range 2.722 (3)–3.075 (3) Å. Furthermore, the polyanions are three dimensionally linked via K⋯OT inter­actions. All water mol­ecules form hydrogen bonds with polyanions except for the O30W and O31W water mol­ecules.


Crystal structure of the Anderson-type hetero-polyoxometalate; K2[H7Cr(III)Mo6O24]·8H2O: a redetermination revealing the position of the extra H atom in the polyanion.

Joo HC, Park KM, Lee U - Acta Crystallogr E Crystallogr Commun (2015)

Polyhedral view of the heteropolyanion in (I), with O⋯O contacts of the inter-polyanion hydrogen bonds shown as dashed lines. [Symmetry codes; (i) −x + 1, −y, −z + 1; (ii) x, y, z − 1; (iii) −x + 1, −y + 1, −z + 1; (iv) x, y + 1, z; (v) −x + 1, −y + 1, −z + 2.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384541&req=5

fig3: Polyhedral view of the heteropolyanion in (I), with O⋯O contacts of the inter-polyanion hydrogen bonds shown as dashed lines. [Symmetry codes; (i) −x + 1, −y, −z + 1; (ii) x, y, z − 1; (iii) −x + 1, −y + 1, −z + 1; (iv) x, y + 1, z; (v) −x + 1, −y + 1, −z + 2.]
Mentions: Two discrete polyanions A and B are linked into chains along [011] by two normal, and one strong and pseudosymmetric hydrogen bonds (Table 1 ▸ and Fig. 3 ▸). The K+ ions are variously coordinated by O atoms as [K1(OT)4(OW)4]+ and [K2(OT)4(OB)(OW)3]+ in the distance range 2.722 (3)–3.075 (3) Å. Furthermore, the polyanions are three dimensionally linked via K⋯OT inter­actions. All water mol­ecules form hydrogen bonds with polyanions except for the O30W and O31W water mol­ecules.

Bottom Line: The title compound contains a symmetric hydrogen bond in which the H atom does not lie on a crystallographic centre of symmetry.The structure of K2[H7Cr(III)Mo6O24]·8H2O, namely dipotassium hepta-hydrogen hexa-molybdochromate(III) octa-hydrate, previously reported by Lee [Acta Cryst. (2007), E63, i5-i7], has been redetermined in order to locate the position of the seventh H atom in the anion.This short bond, together with two normal hydrogen bonds, link the two crystallographically distinct centrosymmetric polyanions into chains along [011], while the length of this bond [2.461 (3) Å] suggests that the H atom lies at its centre, but unusually for such a bond, this point is not a crystallographic centre of symmetry.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.

ABSTRACT
The title compound contains a symmetric hydrogen bond in which the H atom does not lie on a crystallographic centre of symmetry. The structure of K2[H7Cr(III)Mo6O24]·8H2O, namely dipotassium hepta-hydrogen hexa-molybdochromate(III) octa-hydrate, previously reported by Lee [Acta Cryst. (2007), E63, i5-i7], has been redetermined in order to locate the position of the seventh H atom in the anion. Six of the H atoms are bonded to the six μ3-O atoms and form hydrogen bonds of medium strength either to water mol-ecules or to the terminal O atoms of other polyanions. The seventh H atom forms a very short hydrogen bond between two μ2-O atoms on adjacent polyanions. This short bond, together with two normal hydrogen bonds, link the two crystallographically distinct centrosymmetric polyanions into chains along [011], while the length of this bond [2.461 (3) Å] suggests that the H atom lies at its centre, but unusually for such a bond, this point is not a crystallographic centre of symmetry.

No MeSH data available.