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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).

ABSTRACT: 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.

SUBMITTER: Si Y

PROVIDER: S-EPMC3246932 | biostudies-literature | 2011 Nov

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).

Si Youtao Y Chen Hui H Chen Changneng C

Acta crystallographica. Section E, Structure reports online 20111008 Pt 11

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⋯ ...[more]

PMID: 22219752

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

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

Penta-carbonyl-1κC,2κC-(4-iodo-phenyl isocyanide-1κC)(μ-propane-1,3-dithiol-ato-1:2κS,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

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

[μ-Bis(diphenyl-phosphan-yl)ethane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-(triphenyl-stibine-3κSb)-triangulo-triruthenium(0).

Project description:The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(26)H(24)P(2))(C(18)H(15)Sb)(CO)(9)], consists of two crystallographically independent mol-ecules, A and B. The bis-(diphenyl-phosphan-yl)ethane ligand bridges an Ru-Ru bond and the monodentate stibine ligand bonds to the third Ru atom. Both the stibine and phosphine ligands are equatorial with respect to the Ru(3) triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three stibine-substituted benzene rings make dihedral angles of 38.7 (3), 71.5 (3) and 70.0 (3)° with each other in mol-ecule A whereas these angles are 83.9 (3), 88.2 (3) and 56.8 (3)° in mol-ecule B. Similarly, the dihedral angles between the two benzene rings are 80.7 (3) and 87.6 (3)° for the two diphenyl-phosphanyl groups in mol-ecule A and 84.0 (3) and 72.6 (4)° in mol-ecule B. In the crystal, mol-ecules are linked into tetra-mers via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

| S-EPMC3051588 | biostudies-literature

[μ-Bis(diphenyl-phosphan-yl)ethane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[tris-(4-(meth-oxy-phen-yl)arsane-3κAs]-triangulo-triruthenium(0) chloro-form monosolvate.

Project description:The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(21)H(21)AsO(3))(C(26)H(24)P(2))(CO)(9)]·CHCl(3), consists of one mol-ecule of the triangulo-triruthenium complex and one chloro-form solvent mol-ecule. The bis(diphenyl-phosphan-yl)ethane ligand bridges an Ru-Ru bond and the monodentate arsane ligand bonds to the third Ru atom. Both the arsane and phosphine ligands are equatorial with respect to the Ru(3) triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsane-substituted benzene rings make dihedral angles of 52.72 (19), 63.03 (19) and 88.19 (19)° with each other. The dihedral angles between the two benzene rings are 85.8 (2) and 89.2 (2)° for the two diphenyl-phosphanyl groups. In the crystal, mol-ecules are linked together into a three-dimensional network via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

| S-EPMC3051462 | biostudies-literature

[μ-Bis(di-o-tolyl-phosphan-yl)methane-1:2κP:P']deca-carbonyl-1κC,2κC,3κC-triangulo-triruthenium(0)-methanol (8/1).

Project description:The asymmetric unit of the title compound, [Ru(3)(C(29)H(30)P(2))(CO)(10)].1/8CH(3)OH, contains two triangulo-triruthenium mol-ecules with similar configurations and a methanol solvent mol-ecule (fractional site occupancy for the latter = 0.25). The bis-(di-o-tolyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and its P atoms are equatorial with respect to the Ru(3) triangle. The phosphine-substituted Ru atoms each bear one equatorial and two axial terminal carbonyl ligands whereas the unsubstituted Ru atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom are 76.26 (13) and 74.76 (15)° for the first mol-ecule and 77.21 (13) and 75.68 (14)° for the second. In the crystal, mol-ecules are linked into [001] chains via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions also occur.

| S-EPMC3051575 | 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

Decacarbonyl-1κC,2κC,3κC-bis-[tris-(3-chloro-phen-yl)phosphine]-1κP,2κP-triangulo-triruthenium(0) monohydrate.

Project description:The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(18)H(12)Cl(3)P)(2)(CO)(10)]·H(2)O, consists of one triangulo-triruthenium complex and one disordered water solvent molecule. Two of the 3-chloro-phenyl rings are disordered over two positions with refined site occupancies of 0.671 (3)/0.329 (3) and 0.628 (3)/0.372 (3). The water mol-ecule is disordered over two positions with refined site occupancies of 0.523 (7) and 0.477 (7). Two equatorial carbonyl groups have been substituted by the two monodentate phosphine ligands, leaving one equatorial and two axial carbonyl substituents on the two Ru atoms. The remaining Ru atom carries two equatorial and two axial terminal carbonyl ligands. In the crystal structure, mol-ecules are linked into columns along the a axis by inter-molecular C-H⋯Cl and C-H⋯O hydrogen bonds. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O hydrogen bonds.

| S-EPMC2979284 | 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

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