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Bis[1,2-bis-(eth-oxy-carbon-yl)ethene-1,2-dithiol-ato-?(2) S,S']bis-(?(5)-penta-methyl-cyclo-penta-dien-yl)tetra-?3-sulfido-diiron(IV)diiron(III)(3 Fe-Fe).

ABSTRACT: The title compound, [Fe4(C10H15)2(C8H10O4S2)2S4], contains a twisted Fe4S4 cubane-like core. A twofold rotation axis passes through the Fe4S4 core, completing the coordination of the four Fe atoms with two penta-methyl-cyclo-penta-dienyl ligands and two chelating dithiol-ate ligands. There are three short Fe-Fe and three long Fe?Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding inter-actions, respectively. The Fe-S bonds in the Fe4S4 core range from 2.1523?(5) to 2.2667?(6)?Å and are somewhat longer than the Fe-S bonds involving the dithiol-ate ligand.

SUBMITTER: Ito S

PROVIDER: S-EPMC3629468 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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Bis[1,2-bis-(eth-oxy-carbon-yl)ethene-1,2-dithiol-ato-κ(2) S,S']bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)tetra-μ3-sulfido-diiron(IV)diiron(III)(3 Fe-Fe).

Ito Shohei S Hisamichi Nozomu N Takase Tsugiko T Inomata Shinji S

Acta crystallographica. Section E, Structure reports online 20130302 Pt 4

The title compound, [Fe4(C10H15)2(C8H10O4S2)2S4], contains a twisted Fe4S4 cubane-like core. A twofold rotation axis passes through the Fe4S4 core, completing the coordination of the four Fe atoms with two penta-methyl-cyclo-penta-dienyl ligands and two chelating dithiol-ate ligands. There are three short Fe-Fe and three long Fe⋯Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding inter-actions, respectively. The Fe-S bonds in the Fe4S4 core range from 2.1523 (5) to 2.2667 (6) Å and ...[more]

PMID: 23633986

Similar Datasets

Bis[1,2-bis-(meth-oxy-carbon-yl)ethene-1,2-dithiol-ato-κ(2) S,S']bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)tetra-μ3-sulfido-tetra-iron(4 Fe-Fe) hexa-fluoridophosphate.

Project description:The asymmetric unit of the title compound, [Fe4(C6H6O4S2)2(C10H15)2S4]PF6, contains two different complex cations and two PF6 (-) anions. The two complex cations have similar conformations with the butterfly-like Fe4S4 core surrounded by two penta-methyl-cyclo-penta-dienyl ligands and the S atoms of two dithiol-ate ligands. In each Fe4S4 core, there are four short Fe-Fe and two long Fe⋯Fe contacts, suggesting bonding and non-bonding inter-actions, respectively. The Fe-S distances range from 2.1287 (13) to 2.2706 (16) Å for one and from 2.1233 (13) to 2.2650 (16) Å for the other Fe4S4 core. The Fe-S distances involving the dithiol-ate ligands are in a more narrow range [2.1764 (16)-2.1874 (13) Å for one and 2.1743 (14)-2.1779 (16) Å for the other cation]. There are no significant inter-actions between cations and anions.

| S-EPMC3629501 | biostudies-literature

Bis[1-(3-cyano-benz-yl)pyridinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the ionic title complex, (C(13)H(11)N(2))(2)[Ni(C(4)N(2)S(2))(2)], the Ni(II) ion is located on an inversion centre so the asymmetric unit contains one-half [Ni(mnt)(2)](2-) dianion (mnt(2-) is maleonitrile-dithiolate) and one 1-(3-cyano-benz-yl)pyridinium cation ([CNBzPy](+)). The Ni(II) ion in the [Ni(mnt)(2)](2-) anion is coordinated by four S atoms of two mnt(2-) ligands, and exhibits square-planar coordination geometry. In the [CNBzPy](+) cation, the benzene and pyridine rings are twisted with respect to the C/C/N plane incorporating the methyl-ene C atom that links them. The crystal structure is stabilized by Coulombic inter-actions.

| S-EPMC3050285 | biostudies-literature

Tetraphenyl-arsonium cis-bis-[1,2-bis-(tri-fluoro-meth-yl)ethene-1,2-dithiol-ato]platinate(II).

Project description:In the title compound, (C(24)H(20)As)[Pt(C(4)F(6)S(2))(2)], the cation lies on a twofold rotation axis while the anion has crystallographic inversion symmetry. The Pt(II) ion is in a slightly distorted square-planar coordination environment. The F atoms of both unique -CF(3) groups are disordered over two sets of sites, the ratios of refined occupancies being 0.677?(15):0.323?(15) and 0.640?(16):0.360?(16). The crystal structure is the first to date of a monoanionic [Pt(tfd)(2)](-) species [tfd is 1,2-bis-(trifluoro-meth-yl)ethene-1,2-dithiol-ate] with a non-redox-active cation.

| S-EPMC2969384 | biostudies-literature

Bis[1-(4-cyano-benz-yl)pyrazinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the title complex, (C(12)H(10)N(3))(2)[Ni(C(4)N(2)S(2))(2)], consists of one 1-(4-cyano-benz-yl)pyrazinium cation and one half of an [Ni(mnt)(2)](2-) dianion (mnt(2-) is 1,2-dicyano-ethene-1,2-dithiol-ate). The Ni(2+) ion is located on an inversion center and is coordinated by four S atoms from two mnt(2-) ligands, exhibiting a square-planar coordination geometry. The cation adopts a conformation where both the pyrazine ring and the benzene ring are twisted with respect to the C-C-N reference plane by 16.5?(2) and 69.8?(1)°, respectively.

| S-EPMC3152075 | biostudies-literature

Penta-carbonyl-1κC,2κC-[(diphenyl-phosphor-yl)diphenyl-phosphane-1κP]-μ-ethane-1,2-dithiol-ato-1:2κS,S':S,S'-diiron(I)(Fe-Fe).

Project description:The dinuclear title compound, [Fe(2)(C(2)H(4)S(2))(C(24)H(20)OP(2))(CO)(5)] or (μ-SCH(2)CH(2)S-μ)Fe(2)(CO)(5)[Ph(2)PP(O)Ph(2)], con-tains a butterfly-shaped Fe(2)S(2) core in which the Fe⋯Fe separation is 2.5275 (6) Å. One of the Fe atoms is also coordinated to three carbonyl ligands and the other to two carbonyl ligands and one phosphane ligand [Ph(2)PP(O)Ph(2)]. Both Fe-atom geometries could be described as grossly distorted octa-hedral and the Ph(2)PP(O)Ph(2) ligand lies trans to the Fe⋯Fe link.

| S-EPMC3246973 | biostudies-literature

1-Butyl-pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(III).

Project description:The Ni(III) atom in the anion of the title complex, (C(9)H(14)N)[Ni(C(4)N(2)S(2))(2)], is coordinated by four S atoms of two maleonitrile-dithiol-ate ligands, and exhibits a square-planar coordination geometry.

| S-EPMC3246985 | biostudies-literature

Bis[1-(eth-oxy-carbonyl-meth-yl)pyridinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato-κ(2)S,S')nickelate(II).

Project description:The asymmetric unit of the title ion-pair complex, (C(9)H(12)NO(2))(2)[Ni(C(4)N(2)S(2))(2)], contains two 1-(eth-oxy-carbonyl-meth-yl)pyridinium cations and one bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II) dianion, which exhibits a slightly distorted square-planar coordination geometry. In the crystal, the cations are linked by strong C-H⋯O hydrogen bonds into C(6) chains along [100]. The cations and anions are linked into a three-dimensional architecture by weak C-H⋯N and C-H⋯S inter-actions.

| S-EPMC3435580 | biostudies-literature

Bis(3,5,7-triaza-1-azoniatricyclo-[3.3.1.1]deca-ne) bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the title complex, (C(6)H(13)N(4))(2)[Ni(C(4)N(2)S(2))(2)], comprises one 1-azonia-3,5,7-triaza-tricyclo-[3.3.1.1(3,7)]decane cation and one half of an [Ni(mnt)(2)](2-) (mnt(2-) is maleonitrile-dithiol-ate or 1,2-dicyano-ethene-1,2-dithiol-ate) dianion. The Ni(2+) ion is located on a center of inversion and is coordinated by four S atoms from two mnt(2-) ligands in a square-planar coordination mode. Inter-molecular N-H?N hydrogen-bond inter-actions link one anion and two cations in the crystal structure.

| S-EPMC3120553 | biostudies-literature

1-(2-Fluoro-benzyl-ideneamino)pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the title complex, (C(12)H(10)FN(2))(2)[Ni(C(4)N(2)S(2))(2)], the anion lies on an inversion center with the Ni(II) ion coordinated by four S atoms in a slightly distorted square-planar environment. In the unique cation, the dihedral angle between the benzene and pyridine rings is 7.1 (2) Å.

| S-EPMC2977634 | biostudies-literature

1,2-Bis(1,3-dithiol-2-yl-idene)hydrazine.

Project description:The title mol-ecule, C(6)H(4)N(2)S(4), has a crystallographically imposed centre of symmetry located at the mid-point of the N-N single bond. The mol-ecule is essentially planar: the two five-membered rings form a dihedral angle of 0.17?(6)°. The crystal packing exhibits short inter-molecular S?S contacts of 3.549?(2)?Å.

| S-EPMC2961747 | biostudies-literature

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