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A cyclo-octa-trienone complex of diiron hexa-carbon-yl.

Corfield PW - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: One Fe atom forms a σ-bond with one ring C atom, with Fe-C = 2.109 (2) Å, and also a metal-olefin π-bond with two C atoms on the other side of the ring, with Fe-C distances of 2.238 (2) and 2.236 (3) Å.The second Fe atom forms a η(3)-allyl bond with three other ring atoms, with Fe-C bond lengths of 2.158 (2), 2.062 (2), and 2.123 (3) Å.Counting the π- and π-allyl inter-actions as one bond, the coordinations of the Fe atoms can, respectively, be approximated as octa-hedral and trigonal bipyramidal.

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Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

ABSTRACT
In the title compound, [μ-(2,6,7-η:3,4,5-η)-cycloocta-2,4,6-trienone]bis-(tri-carbonyl-iron)(Fe-Fe), [Fe2(C8H8O)(CO)6], the diiron hexa-carbonyl moiety has a sawhorse arrangement, with the OC-Fe-Fe-CO fragment forming the horizontal bar of the horse, and the other four carbonyl groups the legs. The Fe-Fe distance is 2.795 (2) Å. Each Fe atom is also bonded to three C atoms of the cyclo-octa-trienone ring. One Fe atom forms a σ-bond with one ring C atom, with Fe-C = 2.109 (2) Å, and also a metal-olefin π-bond with two C atoms on the other side of the ring, with Fe-C distances of 2.238 (2) and 2.236 (3) Å. The second Fe atom forms a η(3)-allyl bond with three other ring atoms, with Fe-C bond lengths of 2.158 (2), 2.062 (2), and 2.123 (3) Å. Counting the π- and π-allyl inter-actions as one bond, the coordinations of the Fe atoms can, respectively, be approximated as octa-hedral and trigonal bipyramidal.

No MeSH data available.


The molecular structure of the title molecule, with ellipsoids at the 50% level.
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Fap1: The molecular structure of the title molecule, with ellipsoids at the 50% level.


A cyclo-octa-trienone complex of diiron hexa-carbon-yl.

Corfield PW - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title molecule, with ellipsoids at the 50% level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120530&req=5

Fap1: The molecular structure of the title molecule, with ellipsoids at the 50% level.
Bottom Line: One Fe atom forms a σ-bond with one ring C atom, with Fe-C = 2.109 (2) Å, and also a metal-olefin π-bond with two C atoms on the other side of the ring, with Fe-C distances of 2.238 (2) and 2.236 (3) Å.The second Fe atom forms a η(3)-allyl bond with three other ring atoms, with Fe-C bond lengths of 2.158 (2), 2.062 (2), and 2.123 (3) Å.Counting the π- and π-allyl inter-actions as one bond, the coordinations of the Fe atoms can, respectively, be approximated as octa-hedral and trigonal bipyramidal.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

ABSTRACT
In the title compound, [μ-(2,6,7-η:3,4,5-η)-cycloocta-2,4,6-trienone]bis-(tri-carbonyl-iron)(Fe-Fe), [Fe2(C8H8O)(CO)6], the diiron hexa-carbonyl moiety has a sawhorse arrangement, with the OC-Fe-Fe-CO fragment forming the horizontal bar of the horse, and the other four carbonyl groups the legs. The Fe-Fe distance is 2.795 (2) Å. Each Fe atom is also bonded to three C atoms of the cyclo-octa-trienone ring. One Fe atom forms a σ-bond with one ring C atom, with Fe-C = 2.109 (2) Å, and also a metal-olefin π-bond with two C atoms on the other side of the ring, with Fe-C distances of 2.238 (2) and 2.236 (3) Å. The second Fe atom forms a η(3)-allyl bond with three other ring atoms, with Fe-C bond lengths of 2.158 (2), 2.062 (2), and 2.123 (3) Å. Counting the π- and π-allyl inter-actions as one bond, the coordinations of the Fe atoms can, respectively, be approximated as octa-hedral and trigonal bipyramidal.

No MeSH data available.