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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).

ABSTRACT: 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.

SUBMITTER: Liu XF

PROVIDER: S-EPMC3246973 | biostudies-literature |

REPOSITORIES: biostudies-literature

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[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

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).

Project description: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.

| S-EPMC3238657 | biostudies-literature

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).

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

Bis{[μ-bis-(diphenyl-phosphan-yl)methane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[(4-methyl-sulfanylphen-yl)diphenyl-phosphane-3κP]-triangulo-triruthen-ium(0)} dichloro-methane monosolvate.

Project description:The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)P(2))(C(19)H(17)PS)(CO)(9)]·CH(2)Cl(2), contains one triangulo-triruthenium complex mol-ecule and one half-mol-ecule of the dichloro-methane solvent. The dichloro-methane solvent mol-ecule lies across a crystallographic inversion center leading to the mol-ecule being disordered over two positions of equal occupancy. The bis-(diphenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the monodentate phosphane ligand bonds to the third Ru atom. All phosphane ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphane-substituted benzene rings make dihedral angles of 87.18 (11), 59.59 (10) and 89.28 (11)° with each other. The dihedral angles between the two benzene rings are 78.48 (11) and 87.58 (11)° for the two diphenyl-phosphanyl groups. In the crystal, the mol-ecules are stacked along the a axis. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure.

| S-EPMC3051800 | biostudies-literature

Penta-carbonyl-1?C,2?C-(ferrocenyl-diphenyl-phosphine-1?P)[?-2-(4-methyl-phen-yl)-2-aza-propane-1,3-dithiol-ato-1:2?S,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

Undeca-carbonyl-1κC,2κC,3κC-(triethyl phosphite-1κP)-triangulo-triruthenium(0).

Project description:In the title triangulo-triruthenium compound, [Ru(3)(C(6)H(15)O(3)P)(CO)(11)], each Ru atom has distorted octa-hedral coord-ination geometry. The monodentate phosphine ligand is equatorially coordinated to one Ru atom, leaving one equatorial and two axial carbonyl substituents on the Ru atom. Each of the remaining two Ru atoms carries two equatorial and two axial carbonyl groups. In the crystal, mol-ecules are linked into an inversion dimer by a pair of inter-molecular C-H⋯O hydrogen bonds and the dimers are stacked along the b axis.

| S-EPMC3051793 | 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

[μ-Bis(diphenyl-arsino)methane-1:2κAs:As'][(4-bromo-phen-yl)diphenyl-phosphine-3κP]nona-carbonyl-1κC,2κC,3κC-triangulo-tri-ruthenium(0) chloro-form 0.3-solvate.

Project description:The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(18)H(14)BrP)(CO)(9)]·0.3CHCl(3), contains one mol-ecule of the triangulo-triruthenium complex and one partially occupied disordered chloro-form solvent mol-ecule. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The phosphine-substituted benzene rings make dihedral angles of 67.5 (3), 76.1 (3) and 78.1 (3)° with each other. The dihedral angles between the two benzene rings are 79.0 (4) and 81.4 (3)° for the two diphenyl-arsino groups. In the crystal packing, the mol-ecules are linked into chains along the a axis by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2979922 | biostudies-literature

[1,2-Bis(diphenyl-phosphino)ethane]-chlorido(?-penta-methyl-cyclo-penta-dien-yl)iron(II) dichloro-methane solvate.

Project description:In the title compound, [Fe(C(10)H(15))Cl(C(26)H(24)P(2))]·CH(2)Cl(2), the Fe(II) atom is coordinated by two P atoms from a 1,2-bis-(diphenyl-phosphino)ethane ligand [Fe-P = 2.2130?(7) and 2.2231?(7)?Å], a chloride anion [Fe-Cl = 2.3329?(7)?Å] and a penta-methyl-cyclo-penta-dienyl (Cp*) ligand [Fe-centroid(Cp*) = 1.732?(3)?Å] in a typical piano-stool geometry. In the crystal structure, the complex and solvent mol-ecules are paired via weak C-H?Cl inter-actions.

| S-EPMC3007507 | biostudies-literature

[μ-Bis(diphenyl-phosphan-yl)methane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[tris-(biphenyl-4-yl)arsane-3κAs]-triangulo-triruthenium(0).

Project description:In the title triangulo-triruthenium compound, [Ru(3)(C(36)H(27)As)(C(25)H(22)P(2))(CO)(9)], the bis-(diphenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. In each biphenyl unit, the phenyl rings are twisted from each other, making dihedral angles of 51.22 (18), 42.94 (16) and 26.95 (16)°. The arsine-substituted phenyl rings make dihedral angles of 61.22 (15), 87.17 (15) and 83.32 (15)° with each other. The dihedral angles between the two benzene rings are 85.52 (18) and 81.77 (15)° for the two diphenyl-phosphanyl groups, respectively. In the crystal, mol-ecules are linked into dimers by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π and π-π [centroid-centroid distance = 3.6981 (18) Å] inter-actions stabilize the crystal structure.

| S-EPMC3051758 | biostudies-literature

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