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Penta-carbonyl-1?C,2?C-(?-pyrazine-2,3-dithiol-ato-1:2?S,S':S,S')(trimethyl-phosphane-1?P)diiron(I)(Fe-Fe).

ABSTRACT: In the title compound, [Fe(2)(C(4)H(2)N(2)S(2))(C(3)H(9)P)(CO)(5)], the Fe(2)S(2) core adopts a butterfly conformation. The PMe(3) ligand is coordinated in the basal position, roughly cis to the Fe-Fe bond. The Fe-Fe distance of 2.4970?(6)?Å is relatively short compared to those (ca 2.53?Å) found in another monosubstituted diiron compound. A rigid planar dithiol-ate bridge is featured, with an angle of 2.78?(1)° between the Fe-Fe bond and the normal to the pyrazine-2,3-dithiol-ate plane.

SUBMITTER: Gao S

PROVIDER: S-EPMC3238657 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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Penta-carbonyl-1κC,2κC-(μ-pyrazine-2,3-dithiol-ato-1:2κS,S':S,S')(trimethyl-phosphane-1κP)diiron(I)(Fe-Fe).

Gao Shang S An Chun-Ai CA Duan Qian Q Jiang Da-Yong DY

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

In the title compound, [Fe(2)(C(4)H(2)N(2)S(2))(C(3)H(9)P)(CO)(5)], the Fe(2)S(2) core adopts a butterfly conformation. The PMe(3) ligand is coordinated in the basal position, roughly cis to the Fe-Fe bond. The Fe-Fe distance of 2.4970 (6) Å is relatively short compared to those (ca 2.53 Å) found in another monosubstituted diiron compound. A rigid planar dithiol-ate bridge is featured, with an angle of 2.78 (1)° between the Fe-Fe bond and the normal to the pyrazine-2,3-dithiol-ate plane. ...[more]

PMID: 22199548

Similar Datasets

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

Dicarbon-yl(pyrazine-1,3-dithiol-ato-?S,S')bis-(trimethyl-phosphane-?P)iron(II).

Project description:The title compound, [Fe(C(4)H(2)N(2)S(2))(C(3)H(9)P)(2)(CO)(2)], was obtained as a mononuclear by-product during the treatment of [Fe(2)(?-S(2)C(4)N(2)H(2))(CO)(6)] in excess trimethyl-phosphane. The Fe atom is six-coordinated by two thiol-ate S atoms, two phosphane P atoms and two carbonyl C atoms in a distorted octa-hedral geometry. The average Fe-C(O) distance (1.771?Å) is relatively shorter than that of its parent hexa-carbonyl-diiron compound, and differs by 0.511?Å from the average Fe-P(Me)(3) distance. The five-membered FeC(2)S(2) chelate ring plane is close to being perpendicular to the P/Fe/P plane [86.5?(2)°].

| S-EPMC3238701 | biostudies-literature

Penta-carbonyl-1κC,2κC-(ferrocenyl-diphenyl-phosphine-1κP)[μ-2-(4-methyl-phen-yl)-2-aza-propane-1,3-dithiol-ato-1:2κS,S':S,S']diiron(I)(Fe-Fe).

Project description:The title compound, [Fe(2)(C(9)H(11)NS(2)){Fe(C(5)H(5))(C(17)H(14)P)}(CO)(5)], was prepared as an aza-dithiol-ato-iron model for the iron-only hydrogenase active site. The Fe(2)S(2) unit exhibits a butterfly conformation and the ferrocenyldiphenyl-phosphine ligand is trans to the Fe-Fe bond. The Fe-Fe distance of 2.5160 (8) Å is longer than found in related model structures. Intra-molecular C-H⋯S and inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC2959581 | biostudies-literature

Bis(triethyl-ammonium) bis-(μ-pyrazine-2,3-dithiol-ato)bis-(pyrazine-2,3-dithio-lato)diferrate(III) methanol disolvate.

Project description:In the title compound, (C(6)H(16)N)(2)[Fe(2)(C(4)H(2)N(2)S(2))(4)]·2CH(4)O, the [Fe(III)(pdt)(2)](-) anion (pdt is pyrazine-2,3-dithiol-ate) forms a centrosymmetric dimer supported by two Fe(III)-S bonds [Fe-S = 2.4787 (4) Å]. In the crystal structure, dimers form a one-dimensional stack along the b axis via π-π stacking inter-actions, the inter-planar separation between adjacent dimers being 3.51 (2) Å. The methanol solvent mol-ecule is involved in two hydrogen bonds in which the hydroxyl group acts as a hydrogen-bond donor to the N atom of a pdt ligand and the O atom acts as an acceptor for the NH group of the triethyl-ammonium cation.

| S-EPMC2967914 | biostudies-literature

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).

Project description: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.

| S-EPMC3629468 | biostudies-literature

Penta-carbonyl-1?C,2?C-(4-iodo-phenyl isocyanide-1?C)(?-propane-1,3-dithiol-ato-1:2?S,S':S,S')iron(I)(Fe-Fe).

Project description:In the title compound, [Fe(2)(C(7)H(4)IN)(C(3)H(6)S(2))(CO)(5)], the Fe-Fe distance of 2.5156?(11)?Å compares well with that in related model structures. The phenyl isocyanide ligand is in the basal position and trans to the S atoms of the propane-dithiol-ate ligand due to steric hindrance. The crystal structure features C-H?O inter-actions.

| S-EPMC3238660 | biostudies-literature

μ-Propane-1,3-dithiol-ato-κS,S':S,S'-bis-[dicarbon-yl(triphenyl-phosphane-κP)iron(II)](Fe-Fe).

Project description:The title compound, [Fe(2)(C(3)H(6)S(2))(C(18)H(15)P)(2)(CO)(4)], which might serve as an active-site model of [FeFe]-hydrogenase, contains two fused Fe/S/C/C/C/S six-membered rings, one of which has a chair conformation and the other a boat conformation. Each Fe atom is coordinated by two carbonyl ligands, a triphenyl-phosphane ligand and a bis-bidentate dithiol-ate ligand, and also forms an Fe-Fe bond [2.5167 (16) Å]. Together, the six bonded atoms form a very distorted octa-hedral arrangement.

| S-EPMC3246933 | biostudies-literature

[1,2-Bis(diphenyl-phosphan-yl)ethane-2κP,P']tetra-carbonyl-1κC,2κC-(μ-2-cyclo-pentyl-2-aza-propane-1,3-dithiol-ato-1:2κS,S':S,S')diiron(II)(Fe-Fe).

Project description:In the title compound, [Fe(2)(C(7)H(13)NS(2))(C(26)H(24)P(2))(CO)(4)], the Fe(2)S(2) core exhibits a butterfly-like shape, with two S atoms bridging the Fe-Fe dumbbell. Each of the two Fe atoms exhibits a distorted octa-hedral environment. One Fe atom is additionally bonded to three carbonyl C atoms, whereas the other Fe atom is additionally bonded to one carbonyl C atom and two P atoms of the chelating dppe [dppe = 1,2-bis-(diphenyl-phosphan-yl)ethane] ligand. Non-classical intra-molecular C-H⋯S hydrogen-bonding inter-actions are present in the structure. The packing of adjacent mol-ecules along [100] is accomplished mainly through van der Waals forces.

| S-EPMC3246932 | biostudies-literature

Tri-?-ethanethiol-ato-bis-{[?-1,2,3,4-tetra-methyl-5-(trimethyl-silyl)cyclo-penta-dien-yl]iron(II,III)}(Fe-Fe).

Project description:The title complex, [Fe(2)(C(2)H(5)S)(3)(C(12)H(21)Si)(2)], has an unusual Fe(2)S(3) core. The two 1,2,3,4-tetra-methyl-5-(trimethyl-silyl)cyclo-penta-dienyl (Cp') ligands coordinate to the Fe atoms with their C(5) planes perpendicular [dihedral angles = 88.23?(7) and 88.55?(7)°] to the Fe-Fe vector, building two Cp'Fe subunits. These two subunits are bridged by three thiol-ate ligands. There are no significant differences in the coordination geometries between the two Fe atoms. The short Fe-Fe distance of 2.7842?(5)?Å is clear evidence of an inter-metallic bond. Such a diiron-sulfur structure might act as a model of active sites in some metalloproteins.

| S-EPMC2972053 | biostudies-literature

Dicarbonyl-dichloridobis(trimethyl-phosphane)iron(II)-carbonyl-dichlorido-tris(trimethyl-phosphane)iron(II)-tetra-hydro-furan (1/1/2).

Project description:The asymmetric unit of the title crystal, [FeCl(2)(C(3)H(9)P)(3)(CO)]·[FeCl(2)(C(3)H(9)P)(2)(CO)(2)]·2C(4)H(8)O, contains half mol-ecules of the two closely related Fe(II) complexes lying on mirror planes and a tetra-hydro-furan solvent mol-ecule, one C atom of which is disordered over two sets of sites with site occupancy factors 0.633 (9) and 0.367 (9). In both Fe(II) complex mol-ecules, a distorted octa-hedral coordination geometry has been observed around the Fe atoms. Weak intermolecular C-H⋯O inter-actions are observed in the crystal structure.

| S-EPMC3099925 | biostudies-literature

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