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

ABSTRACT: 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.

SUBMITTER: Yin BS

PROVIDER: S-EPMC3246933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(methyl xanthato)-κS;κS:S'-(triphenyl-phosphane-κP)palladium(II).

Project description:The title compound, [Pd(C(2)H(3)OS(2))(2)(C(18)H(15)P)], features a palladium complex with a triphenyl-phosphane ligand and two xanthate ligands, one of them coordinates in a bidentate and the other in a monodentate fashion, giving rise to a slightly distorted square-planar coordination of the Pd(II) ion. As a result of this difference in the coordination modes, the C-S bond lengths are different, viz. 1.687 (2) and 1.692 (2) Å in the bidentate ligand and 1.723 (2) Å in the monodentate ligand, whereas the non-coordinating S atom has a C-S distance of 1.649 (2) Å. The crystal packing is stabilized by C-H⋯O inter-actions.

| S-EPMC3246946 | biostudies-literature

(Ferrocenyl-thio-phospho-nato-κS)(triphenyl-phosphane-κP)gold(I) dichloro-methane monosolvate.

Project description:In the title compound, [AuFe(C(5)H(5))(C(5)H(5)O(2)PS)(C(18)H(15)P)]·CH(2)Cl(2), the two-coordinate gold(I) atom shows a slightly distorted linear arrangement, with a P-Au-S bond angle of 176.81 (6)°. The difference in P=O and P-O(H) bond lengths, which are 1.503 (6) and 1.541 (5) Å, respectively, implies there is apparently no delocalization between the P-O bonds, and the proton appears to be localized on one O atom only. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link dinuclear mol-ecules into chains propagated in the [010] direction. The dichloro-methane solvent mol-ecule was disordered between two positions in a 0.63 (3):0.37 (3) ratio.

| S-EPMC3008988 | biostudies-literature

[2-(Diphenyl-phosphan-yl)benzene-thiol-ato-κP,S](pyridine-2-thiol-ato-κS)(triphenyl-phosphine-κP)palladium(II).

Project description:In the title compound, [Pd(C(5)H(4)NS)(C(18)H(14)PS)(C(18)H(15)P)], the Pd(II) atom has a slightly distorted square-planar environment. Two coordination sites are occupied by a P,S-chelating 2-(diphenyl-phosphan-yl)benzene-thiol-ate ligand and the other two by a P atom from a triphenyl-phosphine ligand and an S atom from a pyridine-2-thiol-ate ligand, exhibiting a trans arrangement of the two P-donor atoms. In the crystal structure, weak intra- and inter-molecular C-H⋯π and π-π inter-actions are observed. The pyridyl ring is equally disordered over two positions.

| S-EPMC3008042 | biostudies-literature

Bis{μ-(E)-methyl 4-[(2-carbamothio-ylhydrazinyl-idene)meth-yl]benzoate-κS:S}bis-[iodido(triphenyl-phosphane-κP)copper(I)].

Project description:The title complex, [Cu(2)I(2)(C(10)H(11)N(3)O(2)S)(2)(C(18)H(15)P)(2)], is a centrosymmetric sulfur-bridged dimer of Cu(I) with PPh(3) and iodine. The Cu(I) atom shows a distorted tetra-hedral geometry, with bite angles ranging from 98.61 (2) to 120.16 (3)°. The intra-molecular Cu⋯Cu distance is 2.8228 (12) Å. The thio-semicarbazone ligand is coordinated only through the S atom. In the crystal, the complex mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds, resulting in a hydrogen-bonded chain along the b axis.

| S-EPMC3246960 | 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

(μ-2,3-Dihydroxy-butane-1,4-dithiol-ato)bis-[triphenyl-tin(IV)].

Project description:In the title compound, [Sn(2)(C(6)H(5))(6)(C(4)H(8)O(2)S(2))], the geometry around the Sn atoms is distorted tetra-hedral. The hydr-oxy groups are involved in O-H⋯O hydrogen bonding, which connects mol-ecules into centrosymmetric dimers.

| S-EPMC2979966 | 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

trans-Chlorido-(4-fluoro-benzene-thiol-ato-κS)bis-(tri-phenyl-phosphane-κP)palladium(II) methanol hemisolvate.

Project description:The title compound, [Pd(SC6H4F-p)Cl(PPh3)2]·0.5CH3OH, features a Pd(II) complex with two tri-phenyl-phosphane (PPh3) ligands arranged in a trans conformation, with one chloride and one 4-fluoro-benzene-thiol-ate ligand completing the coordination sphere, giving rise to a slightly distorted square-planar geometry of the Pd(II) ion. The methanol solvent mol-ecule is disordered about an inversion centre with an occupancy of 0.25 for each molecule. In the crystal, weak C-H⋯Cl hydrogen-bonding inter-actions between the complex mol-ecules generate chain frameworks parallel to [010].

| S-EPMC3998499 | biostudies-literature

Poly[bis-[μ-1,3-bis-(diphenyl-phosphan-yl)propane-κP:P']-di-μ-thio-cyanato-κS:N;κN:S-disilver(I)].

Project description:In the title coordination polymer, [Ag(2)(NCS)(2)(C(27)H(26)P(2))(2)](n), two centrosymmetrically related Ag(+) cations are linked by two thio-cyanate anions into binuclear eight-membered macrocycles. The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetra-hedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis-(diphenyl-phosphan-yl)propane ligands, forming polymeric ribbons parallel to the a axis.

| S-EPMC3246955 | biostudies-literature

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

Project description: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.

| S-EPMC3998616 | biostudies-literature

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