Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ4 S:S′:S:S′]bis[tricarbonyliron(I)](Fe - Fe)

Peihua Zhao; Jeffery A. Bertke; Thomas B. Rauchfuss

doi:10.1107/S2056989015018496

Crystal structure of [μ₂-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ⁴ S:S′:S:S′]bis[tricarbonyliron(I)](Fe - Fe)

Peihua Zhao, Jeffery A. Bertke, Thomas B. Rauchfuss

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

The title complex, [Fe₂(C₈H₁₂S₃)(CO)₆] or [{Fe(CO)₃}₂ (μ-L)] [L = 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolato)], consists of two Fe(CO)3 moieties double-bridged by a dithiolate 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 dithiolate ligand and the neighboring Fe^I atom [Fe - Fe = 2.4921 (4) Å]. Weak C - H⋯O intermolecular interactions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate) ligand and the first in which it bridges two metal atoms.

Original language	English (US)
Pages (from-to)	1296-1299
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	71
DOIs	https://doi.org/10.1107/S2056989015018496
State	Published - 2015

Keywords

crystal structure
hexacarbonyl
iron(I)
thietane

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Online availability

10.1107/S2056989015018496

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title = "Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ4 S:S′:S:S′]bis[tricarbonyliron(I)](Fe - Fe)",

abstract = "The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2 (μ-L)] [L = 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolato)], consists of two Fe(CO)3 moieties double-bridged by a dithiolate ligand. Each of the two FeI atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the dithiolate ligand and the neighboring FeI atom [Fe - Fe = 2.4921 (4) {\AA}]. Weak C - H⋯O intermolecular interactions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate) ligand and the first in which it bridges two metal atoms.",

keywords = "crystal structure, hexacarbonyl, iron(I), thietane",

author = "Peihua Zhao and Bertke, {Jeffery A.} and Rauchfuss, {Thomas B.}",

year = "2015",

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language = "English (US)",

volume = "71",

pages = "1296--1299",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

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T1 - Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ4 S:S′:S:S′]bis[tricarbonyliron(I)](Fe - Fe)

AU - Zhao, Peihua

AU - Bertke, Jeffery A.

AU - Rauchfuss, Thomas B.

PY - 2015

Y1 - 2015

N2 - The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2 (μ-L)] [L = 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolato)], consists of two Fe(CO)3 moieties double-bridged by a dithiolate ligand. Each of the two FeI atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the dithiolate ligand and the neighboring FeI atom [Fe - Fe = 2.4921 (4) Å]. Weak C - H⋯O intermolecular interactions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate) ligand and the first in which it bridges two metal atoms.

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

KW - crystal structure

KW - hexacarbonyl

KW - iron(I)

KW - thietane

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