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Crystal structure of tetra-aqua-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-kis-(μ-tri-methyl-acetato)-tetra-manganese(III)sodiumyttrium-di-methyl-formamide-water (1/8.04/0.62).

Travis JR, Zeller M, Zaleski CM - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: Overall the metallacrown is domed towards the side of the Na(I) ion.Both the Y(III) and Na(I) ions are eight-coordinate, and the tri-methyl-acetate anions bridge the central Y(III) to each ring Mn(III) ion.The ring Mn(III) ions are six-coordinate with a tetra-gonally distorted octa-hedral geometry.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Shippensburg University, 1871 Old Main Dr., Shippensburg, PA 17257, USA.

ABSTRACT
The synthesis and crystal structure for the title compound, [YNaMn4(C7H4NO3)4(C5H9O2)4(H2O)3.76(C3H7NO)0.24]·8.04C3H7NO·0.62H2O or [Y(III)Na(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, where OTMA is tri-methyl-acetate, MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit, and the metallacrown captures one Y(III) ion and one Na(I) ion in the central cavity on opposite faces of the metallacrown. Overall the metallacrown is domed towards the side of the Na(I) ion. Both the Y(III) and Na(I) ions are eight-coordinate, and the tri-methyl-acetate anions bridge the central Y(III) to each ring Mn(III) ion. The ring Mn(III) ions are six-coordinate with a tetra-gonally distorted octa-hedral geometry.

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The mol­ecular structure of (1) in side view. For clarity, only atom labels for all non-H atoms of the tri­methyl­acetate anions and the coordinating water mol­ecules and of the metal ions have been provided. For the solvent coordination site to Mn4, a water mol­ecule and DMF mol­ecule are disordered with an occupancy ratio of 0.758 (8):0.242 (8). Only the water mol­ecule is displayed. See Fig. 1 ▸ for display details.
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fig2: The mol­ecular structure of (1) in side view. For clarity, only atom labels for all non-H atoms of the tri­methyl­acetate anions and the coordinating water mol­ecules and of the metal ions have been provided. For the solvent coordination site to Mn4, a water mol­ecule and DMF mol­ecule are disordered with an occupancy ratio of 0.758 (8):0.242 (8). Only the water mol­ecule is displayed. See Fig. 1 ▸ for display details.

Mentions: The structure of the title compound YIIINa(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, (1), is based on the typical [12-MCMn(III)N(shi)-4] core. Four shi3− framework ligands and four MnIII ions self-assemble to form an overall square geometry with a –[Mn-N-O]4– repeat unit. The MC ring forms a central cavity with a pseudo-fourfold rotation axis that is capable of binding central metal ions, in this structure an YIII ion and a NaI ion. The two ions are bound on opposite faces of the MC, and the metallacrown is slightly domed with the YIII ion residing on the convex side of the central cavity and the NaI ion residing on the underside of the dome. The YIII ion is also connected to the MC core by four tri­methyl­acetate monoanions that serve to bridge the YIII ion to each ring MnIII ion. The mol­ecular structure is shown in Figs. 1 ▸ and 2 ▸.


Crystal structure of tetra-aqua-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-kis-(μ-tri-methyl-acetato)-tetra-manganese(III)sodiumyttrium-di-methyl-formamide-water (1/8.04/0.62).

Travis JR, Zeller M, Zaleski CM - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of (1) in side view. For clarity, only atom labels for all non-H atoms of the tri­methyl­acetate anions and the coordinating water mol­ecules and of the metal ions have been provided. For the solvent coordination site to Mn4, a water mol­ecule and DMF mol­ecule are disordered with an occupancy ratio of 0.758 (8):0.242 (8). Only the water mol­ecule is displayed. See Fig. 1 ▸ for display details.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645067&req=5

fig2: The mol­ecular structure of (1) in side view. For clarity, only atom labels for all non-H atoms of the tri­methyl­acetate anions and the coordinating water mol­ecules and of the metal ions have been provided. For the solvent coordination site to Mn4, a water mol­ecule and DMF mol­ecule are disordered with an occupancy ratio of 0.758 (8):0.242 (8). Only the water mol­ecule is displayed. See Fig. 1 ▸ for display details.
Mentions: The structure of the title compound YIIINa(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, (1), is based on the typical [12-MCMn(III)N(shi)-4] core. Four shi3− framework ligands and four MnIII ions self-assemble to form an overall square geometry with a –[Mn-N-O]4– repeat unit. The MC ring forms a central cavity with a pseudo-fourfold rotation axis that is capable of binding central metal ions, in this structure an YIII ion and a NaI ion. The two ions are bound on opposite faces of the MC, and the metallacrown is slightly domed with the YIII ion residing on the convex side of the central cavity and the NaI ion residing on the underside of the dome. The YIII ion is also connected to the MC core by four tri­methyl­acetate monoanions that serve to bridge the YIII ion to each ring MnIII ion. The mol­ecular structure is shown in Figs. 1 ▸ and 2 ▸.

Bottom Line: Overall the metallacrown is domed towards the side of the Na(I) ion.Both the Y(III) and Na(I) ions are eight-coordinate, and the tri-methyl-acetate anions bridge the central Y(III) to each ring Mn(III) ion.The ring Mn(III) ions are six-coordinate with a tetra-gonally distorted octa-hedral geometry.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Shippensburg University, 1871 Old Main Dr., Shippensburg, PA 17257, USA.

ABSTRACT
The synthesis and crystal structure for the title compound, [YNaMn4(C7H4NO3)4(C5H9O2)4(H2O)3.76(C3H7NO)0.24]·8.04C3H7NO·0.62H2O or [Y(III)Na(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, where OTMA is tri-methyl-acetate, MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit, and the metallacrown captures one Y(III) ion and one Na(I) ion in the central cavity on opposite faces of the metallacrown. Overall the metallacrown is domed towards the side of the Na(I) ion. Both the Y(III) and Na(I) ions are eight-coordinate, and the tri-methyl-acetate anions bridge the central Y(III) to each ring Mn(III) ion. The ring Mn(III) ions are six-coordinate with a tetra-gonally distorted octa-hedral geometry.

No MeSH data available.


Related in: MedlinePlus