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Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).

ABSTRACT: A reaction between [(COD)IrCl]2 (COD is cyclo-octa-1,5-diene), HCl and indene failed to provide the hoped for chlorido-indenyliridium dimer, but instead produced the title compound, [IrCl3(CH3CN)(C8H12)], which is an octa-hedral complex of iridium(III) with a chelating cyclo-octa-1,5-diene ligand, three chloride ligands in a fac arrangement, and one aceto-nitrile ligand. Attempts to devise a rational synthesis for the title compound were unsuccessful.

SUBMITTER: Morris DM

PROVIDER: S-EPMC4438853 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

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Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).

Morris David M DM Merola Joseph S JS

Acta crystallographica. Section E, Crystallographic communications 20150314 Pt 4

A reaction between [(COD)IrCl]2 (COD is cyclo-octa-1,5-diene), HCl and indene failed to provide the hoped for chlorido-indenyliridium dimer, but instead produced the title compound, [IrCl3(CH3CN)(C8H12)], which is an octa-hedral complex of iridium(III) with a chelating cyclo-octa-1,5-diene ligand, three chloride ligands in a fac arrangement, and one aceto-nitrile ligand. Attempts to devise a rational synthesis for the title compound were unsuccessful. ...[more]

PMID: 26029393

Similar Datasets

Crystal structure of chlorido-bis-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(I).

Project description:The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cyclo-octa-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the mol-ecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the ortho-rhom-bic space group Pbca with one mol-ecule per asymmetric unit in a general position and shows no significant inter-molecular inter-actions. Individual mol-ecules are aligned along [010], and these rows form a pseudo-hexa-gonal packing arrangement.

| S-EPMC5290581 | biostudies-literature

[2-Butyl-4-(4-tert-butyl-benz-yl)-1,2,4-triazol-3-yl-idene]chlorido[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(I).

Project description:In the title compound, [IrCl(C(8)H(12))(C(17)H(25)N(3))], the Ir(I) ion has a distorted square-planar coordination geometry. The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C-H⋯Cl contacts are present. Two of these form a motif described as R(2) (1)(6) in graph-set notation, while a third forms an R(2) (2)(8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.

| S-EPMC3274890 | biostudies-literature

Chlorido(η-1,5-cyclo-octa-diene)[(penta-fluoro-eth-yl)diphenyl-phosphane]iridium(I).

Project description:The title structure,[IrCl(C(8)H(12))(C(14)H(10)F(5)P)], reveals that (C(2)F(5))PPh(2) (penta-fluoro-ethyl-diphenyl-phosphane or pfepp) disrupts the iridium dimer [(cod)IrCl](2) (cod = cyclo-octa-1,5-diene) by rupturing the bridging chloride ligands and binding in the open coordination site to form (cod)Ir(pfepp)Cl with the Ir(I) atom in a distorted square-planar coordination environment. The structure deviates very little from the Ir(I)-triphenyl-phosphine analog, although a significantly (∼20σ) shorter Ir-P bond is noted for the title compound.

| S-EPMC3050217 | biostudies-literature

Chloridocyclo-hexyl[(1,2,5,6-η)-cyclo-octa-1,5-diene]platinum(II).

Project description:In the title complex, [Pt(C(6)H(11))Cl(C(8)H(12))], the Pt(II) ion lies in a distorted square-planar environment defined by the Cl and cyclo-hexyl C atoms and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Cl atom and the cyclo-hexyl group, the Pt-C bonds trans to the cyclo-hexyl group are longer than those trans to the Cl atom.

| S-EPMC2971967 | biostudies-literature

Bromido[(1,2,5,6-η)-cyclo-octa-1,5-diene]methyl-platinum(II).

Project description:In the title complex, [PtBr(CH(3))(C(8)H(12))], the Pt(II) ion is in a distorted square-planar environment defined by the Br and methyl C atoms and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Br atom and the methyl group, the Pt-C bonds trans to the methyl group [2.262 (11) and 2.261 (10) Å] are longer than those trans to the Br atom [2.118 (8) and 2.138 (9) Å].

| S-EPMC2980049 | biostudies-literature

Chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl-idene)rhodium(I).

Project description:A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two mol-ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak inter-molecular non-standard hydrogen-bonding inter-action exists between the chlorido and NHC ligands.

| S-EPMC11299652 | biostudies-literature

[(1,2,5,6-η)-Cyclo-octa-1,5-diene]bis-(4-methyl-phen-yl)platinum(II).

Project description:In the mononuclear title complex, [Pt(C(7)H(7))(2)(C(8)H(12))], the Pt(II) ion exhibits a square-planar coordination geometry defined by two methyl-phenyl ligands and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. The two methyl-phenyl groups have a cis relationship with a C-Pt-C bond angle of 88.54 (18)° and a dihedral angle between the mean planes of the benzene rings of 83.87 (1)°. Each complex mol-ecule links to four symmetry-related ones through inter-molecular C-H⋯π inter-actions, forming a layer almost parallel to the bc plane.

| S-EPMC3050351 | biostudies-literature

(18-Crown-6)potassium [(1,2,5,6-η)-cyclo-octa-1,5-diene][(1,2,3,4-η)-naph-tha-lene]-ferrate(-I).

Project description:The title salt, [K(C(12)H(24)O(6))][Fe(C(8)H(12))(C(10)H(8))], is the only known naphthalene complex containing iron in a formally negative oxidation state. Each (naphthalene)(1,5-cod)ferrate(-I) anion is in contact with one (18-crown-6)potassium cation via K⋯C contacts to the outer four carbon atoms of the naphthalene ligand (cod = 1,5-cyclo-octa-diene, 18-crown-6 = 1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne). When using the midpoints of the coordinating olefin bonds, the overall geometry of the coordination sphere around iron can be best described as distorted tetra-hedral. The naphthalene fold angle between the plane of the iron-coordinating butadiene unit and the plane containing the exo-benzene moiety is 19.2 (1)°.

| S-EPMC3470125 | biostudies-literature

Dichlorido(η-cyclo-octa-1,5-diene)bis-(propane-nitrile-κN)ruthenium(II).

Project description:In the title complex, [RuCl(2)(C(8)H(12))(C(3)H(5)N)(2)], the metal ion is coordinated to both double bonds of the cyclo-octa-1,5-diene ligand, two chloride ions (in cis positions) and two N-atom donors from two propane-nitrile mol-ecules that complete the coordination sphere for the neutral complex. The coordination around the Ru(II) atom can thus be considered as octa-hedral with slight trigonal distortion.

| S-EPMC3201259 | biostudies-literature

[(1,2,5,6-η)-1,5-Cyclo-octa-diene](1-isopropyl-3-methyl-imidazolin-2-yl-idene)(triphenyl-phosphine)iridium(I) tetra-fluorido-borate dichloro-methane solvate.

Project description:In the title compound, [Ir(C(8)H(12))(C(7)H(12)N(2))(C(18)H(15)P)]BF(4)·CH(2)Cl(2), the Ir(I) atom has a square-planar conformation with normal bond lengths. One of the phenyl rings, and the solvent dichloro-methane mol-ecule, were refined using separate two part disorder models, each in an approximately 1:1 ratio.

| S-EPMC3008037 | biostudies-literature

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