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Hepta-carbonyl-bis-(?-propane-1,3-di-thiol-ato)triiron(I,II)(2 Fe-Fe).

ABSTRACT: The trinuclear title compound, [Fe3(C3H6S2)2(CO)7], is a mixed-valent Fe(I)/Fe(II) complex and crystallizes with two mol-ecules of similar configuration in the asymmetric unit. The three Fe atoms in each mol-ecule display a bent arrangement [Fe-Fe-Fe = 156.22?(4) and 157.06?(3)°]. Both outer Fe(I) atoms are six-coordinated in a distorted ocahedral coordination geometry defined by the bridging Fe(II) atom, three carbonyl C atoms and two bridging S atoms. The coordination number of the central Fe(II) atom is seven and includes bonding to the two outer Fe(I) atoms, four bridging S atoms and one carbonyl C atom. The resulting coordination polyhedron might be described as a highly distorted monocapped trigonal prism. In the crystal packing, the mol-ecules exhibit a chain-like arrangement parallel to [100] and [001], and the resulting layers are stacked along [010]. The cohesion of the structure is dominated by van der Waals inter-actions.

SUBMITTER: Hu M

PROVIDER: S-EPMC3998616 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Hepta-carbonyl-bis-(μ-propane-1,3-di-thiol-ato)triiron(I,II)(2 Fe-Fe).

Hu Mingqiang M Ma Chengbing C Wen Huimin H Cui Honghua H Chen Changneng C

Acta crystallographica. Section E, Structure reports online 20140308 Pt 4

The trinuclear title compound, [Fe3(C3H6S2)2(CO)7], is a mixed-valent Fe(I)/Fe(II) complex and crystallizes with two mol-ecules of similar configuration in the asymmetric unit. The three Fe atoms in each mol-ecule display a bent arrangement [Fe-Fe-Fe = 156.22 (4) and 157.06 (3)°]. Both outer Fe(I) atoms are six-coordinated in a distorted ocahedral coordination geometry defined by the bridging Fe(II) atom, three carbonyl C atoms and two bridging S atoms. The coordination number of the central Fe( ...[more]

PMID: 24826090

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