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Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-dithiol-ato-κ(4) S:S':S:S']bis[tricarbonyl-iron(I)](Fe-Fe).

Zhao P, Bertke JA, Rauchfuss TB - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand.Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921 (4) Å].Weak C-H⋯O inter-molecular inter-actions result in the formation of dimers.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

ABSTRACT
The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand. Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921 (4) Å]. Weak C-H⋯O inter-molecular inter-actions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ate) ligand and the first in which it bridges two metal atoms.

No MeSH data available.


The mol­ecular structure of (I) with displacement ellipsoids drawn at the 35% probability level for non-H atoms and spheres of arbitrary size for H atoms.
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fig2: The mol­ecular structure of (I) with displacement ellipsoids drawn at the 35% probability level for non-H atoms and spheres of arbitrary size for H atoms.

Mentions: The mol­ecular structure of (I) consists of two six-coordinate iron(I) atoms, each in a distorted trigonal anti-prismatic coordination environment (Fig. 2 ▸). The coordination sphere of Fe1 is filled by three carbonyl C atoms [Fe1—C1 = 1.8158 (19), Fe1—C2 = 1.7900 (18), Fe1—C3 = 1.8047 (18) Å), two S atoms of a bridging di­thiol­ate ligand [Fe1—S1 = 2.2675 (5), Fe1—S2 = 2.2636 (5) Å], and the neighboring FeI atom [Fe1—Fe2 = 2.4921 (4) Å]. The coordination sphere of Fe2 is similarly filled by three carbonyl C atoms [Fe2—C4 = 1.7986 (19), Fe2—C5 = 1.8013 (19), Fe2—C6 = 1.8054 (19) Å], two S atoms [Fe2—S1 = 2.2624 (5), Fe2—S2 = 2.2601 (5) Å], and the neighboring FeI atom.


Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-dithiol-ato-κ(4) S:S':S:S']bis[tricarbonyl-iron(I)](Fe-Fe).

Zhao P, Bertke JA, Rauchfuss TB - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of (I) with displacement ellipsoids drawn at the 35% probability level for non-H atoms and spheres of arbitrary size for H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645041&req=5

fig2: The mol­ecular structure of (I) with displacement ellipsoids drawn at the 35% probability level for non-H atoms and spheres of arbitrary size for H atoms.
Mentions: The mol­ecular structure of (I) consists of two six-coordinate iron(I) atoms, each in a distorted trigonal anti-prismatic coordination environment (Fig. 2 ▸). The coordination sphere of Fe1 is filled by three carbonyl C atoms [Fe1—C1 = 1.8158 (19), Fe1—C2 = 1.7900 (18), Fe1—C3 = 1.8047 (18) Å), two S atoms of a bridging di­thiol­ate ligand [Fe1—S1 = 2.2675 (5), Fe1—S2 = 2.2636 (5) Å], and the neighboring FeI atom [Fe1—Fe2 = 2.4921 (4) Å]. The coordination sphere of Fe2 is similarly filled by three carbonyl C atoms [Fe2—C4 = 1.7986 (19), Fe2—C5 = 1.8013 (19), Fe2—C6 = 1.8054 (19) Å], two S atoms [Fe2—S1 = 2.2624 (5), Fe2—S2 = 2.2601 (5) Å], and the neighboring FeI atom.

Bottom Line: The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand.Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921 (4) Å].Weak C-H⋯O inter-molecular inter-actions result in the formation of dimers.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

ABSTRACT
The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand. Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921 (4) Å]. Weak C-H⋯O inter-molecular inter-actions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ate) ligand and the first in which it bridges two metal atoms.

No MeSH data available.