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Crystal structure of hexa-kis-(μ2-4-tert-but-oxy-4-oxobut-2-en-2-olato)trizinc.

Shtokvish OO, Koval LI, Pekhnyo VI - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The three metal cations are arranged in a linear fashion, with the central Zn(II) atom located on a centre of symmetry.All three metal cations exhibit a distorted octa-hedral coordination geometry.The terminal Zn(II) cations are chelated by three tert-butyl aceto-acetate ligands and these units are connected to the central Zn(II) atom by the bridging enolate O atoms.

View Article: PubMed Central - HTML - PubMed

Affiliation: V. I. Vernadskii Institute of General and Inorganic Chemistry, Ukrainian National Academy of Sciences, Prospect Palladina 32-34, 03680 Kyiv, Ukraine.

ABSTRACT
The title complex, systematic name hexa-kis-(μ2-4-tert-but-oxy-4-oxobut-2-en-2-olato)-1:2κ(9) O (2),O (4):O (2);2:3κ(9) O (2),O (4):O (2)-trizinc, [Zn3(C8H13O3)6], syn-the-sized from tert-butyl aceto-acetate and di-ethyl-zinc, consists of trinuclear centrosymmetric mol-ecules of an approximate C 3i symmetry. The three metal cations are arranged in a linear fashion, with the central Zn(II) atom located on a centre of symmetry. All three metal cations exhibit a distorted octa-hedral coordination geometry. The terminal Zn(II) cations are chelated by three tert-butyl aceto-acetate ligands and these units are connected to the central Zn(II) atom by the bridging enolate O atoms.

No MeSH data available.


Related in: MedlinePlus

The mol­ecular structure of the title compound, showing 50% probability displacement ellipsoids. H atoms have been omitted for clarity. Unlabelled atoms are related by the symmetry operation (−x, 1 − y, −z).
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fig1: The mol­ecular structure of the title compound, showing 50% probability displacement ellipsoids. H atoms have been omitted for clarity. Unlabelled atoms are related by the symmetry operation (−x, 1 − y, −z).

Mentions: The crystal structure of the zinc complex synthesized in our group with the formula [Zn{ZnL3}2], where L is a deproton­ated tert-butyl aceto­acetate ligand, is presented here (Fig. 1 ▶). In the applied labelling scheme, symmetric independence of the three ligands is reflected in the suffixes A, B and C, whereas the atom numbers demonstrate the complete identity of their chemical structures and mode of coordination. The mol­ecules of the title complex are trinuclear with all three zinc(II) atoms arranged in a linear fashion. The mol­ecule is centrosymmetric with atom Zn1 located on an inversion centre; however, its non-crystallographic symmetry is higher as this mol­ecule approximates C3i symmetry. All ZnII cations are in a distorted octa­hedral environment formed by six O atoms. Both of the symmetry-equivalent terminal Zn2 atoms are chelated through the carbonyl O2 atoms of the ester groups and the enolate O1 atoms of the aceto groups of the tert-butyl aceto­acetate ligands A, B and C. The six-membered chelate rings are virtually planar with r.m.s. deviations of 0.0257, 0.0221 and 0.0378 Å, respectively. The range of Zn2—O1 bond lengths is 2.0947 (12)–2.1160 (13) Å and these bonds are longer then Zn2—O2 bonds [2.0129 (13)–2.0365 (13) Å] (Table 1 ▶).


Crystal structure of hexa-kis-(μ2-4-tert-but-oxy-4-oxobut-2-en-2-olato)trizinc.

Shtokvish OO, Koval LI, Pekhnyo VI - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of the title compound, showing 50% probability displacement ellipsoids. H atoms have been omitted for clarity. Unlabelled atoms are related by the symmetry operation (−x, 1 − y, −z).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257390&req=5

fig1: The mol­ecular structure of the title compound, showing 50% probability displacement ellipsoids. H atoms have been omitted for clarity. Unlabelled atoms are related by the symmetry operation (−x, 1 − y, −z).
Mentions: The crystal structure of the zinc complex synthesized in our group with the formula [Zn{ZnL3}2], where L is a deproton­ated tert-butyl aceto­acetate ligand, is presented here (Fig. 1 ▶). In the applied labelling scheme, symmetric independence of the three ligands is reflected in the suffixes A, B and C, whereas the atom numbers demonstrate the complete identity of their chemical structures and mode of coordination. The mol­ecules of the title complex are trinuclear with all three zinc(II) atoms arranged in a linear fashion. The mol­ecule is centrosymmetric with atom Zn1 located on an inversion centre; however, its non-crystallographic symmetry is higher as this mol­ecule approximates C3i symmetry. All ZnII cations are in a distorted octa­hedral environment formed by six O atoms. Both of the symmetry-equivalent terminal Zn2 atoms are chelated through the carbonyl O2 atoms of the ester groups and the enolate O1 atoms of the aceto groups of the tert-butyl aceto­acetate ligands A, B and C. The six-membered chelate rings are virtually planar with r.m.s. deviations of 0.0257, 0.0221 and 0.0378 Å, respectively. The range of Zn2—O1 bond lengths is 2.0947 (12)–2.1160 (13) Å and these bonds are longer then Zn2—O2 bonds [2.0129 (13)–2.0365 (13) Å] (Table 1 ▶).

Bottom Line: The three metal cations are arranged in a linear fashion, with the central Zn(II) atom located on a centre of symmetry.All three metal cations exhibit a distorted octa-hedral coordination geometry.The terminal Zn(II) cations are chelated by three tert-butyl aceto-acetate ligands and these units are connected to the central Zn(II) atom by the bridging enolate O atoms.

View Article: PubMed Central - HTML - PubMed

Affiliation: V. I. Vernadskii Institute of General and Inorganic Chemistry, Ukrainian National Academy of Sciences, Prospect Palladina 32-34, 03680 Kyiv, Ukraine.

ABSTRACT
The title complex, systematic name hexa-kis-(μ2-4-tert-but-oxy-4-oxobut-2-en-2-olato)-1:2κ(9) O (2),O (4):O (2);2:3κ(9) O (2),O (4):O (2)-trizinc, [Zn3(C8H13O3)6], syn-the-sized from tert-butyl aceto-acetate and di-ethyl-zinc, consists of trinuclear centrosymmetric mol-ecules of an approximate C 3i symmetry. The three metal cations are arranged in a linear fashion, with the central Zn(II) atom located on a centre of symmetry. All three metal cations exhibit a distorted octa-hedral coordination geometry. The terminal Zn(II) cations are chelated by three tert-butyl aceto-acetate ligands and these units are connected to the central Zn(II) atom by the bridging enolate O atoms.

No MeSH data available.


Related in: MedlinePlus