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

ABSTRACT: 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.

SUBMITTER: Nichol GS

PROVIDER: S-EPMC3008037 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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[(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.

Nichol Gary S GS Stasiw Daniel D Anna Laura J LJ Rajaseelan Edward E

Acta crystallographica. Section E, Structure reports online 20100818 Pt 9

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. ...[more]

PMID: 21588520

Similar Datasets

[(1,2,5,6-?)-Cyclo-octa-1,5-diene]bis-(1-isopropyl-3-methyl-imidazolin-2-yl-idene)rhodium(I) tetra-fluorido-borate.

Project description:In the title compound, [Rh(C(8)H(12))(C(7)H(12)N(2))(2)]BF(4), the square-planar Rh complex cation and the BF(4) (-) anion are both bis-ected by a crystallographic twofold rotation axis. The Rh and B atoms lie on this axis and all others are in general positions. In the crystal, two unique C-H?F hydrogen-bonding inter-actions are present, which involve both imidazolin-2-yl-idene H atoms. They form two separate C(5) motifs, the combination of which is a rippled hydrogen-bonded sheet structure in the ab plane.

| S-EPMC3238752 | biostudies-literature

[(1,2,5,6-η)-Cyclo-octa-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-yl-idene)(tri-phenyl-phosphane)rhodium(I) tetra-fluorido-borate.

Project description:A new N-heterocyclic cationic rhodium(I) complex with a tetra-fluorido-borate counter-anion, [Rh(C8H14N2)(C8H12)(C18H15P)]BF4, has been prepared and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the rhodium(I) ion. Two connections are made from rhodium(I) to the carbon atom of an N-heterocylic carbene ligand and to the phospho-rus atom of a tri-phenyl-phosphane ligand. The remaining two coordination sites are made via a bidentate inter-action from the two olefinic bonds of cyclo-octa-diene to the rhodium(I) ion. The compound includes an out-sphere tetra-fluorido-borate counter-anion. Within the crystal of the compound exist several weak inter-molecular C-H⋯F inter-actions.

| S-EPMC9462349 | biostudies-literature

(4-Butyl-1-methyl-1,2,4-triazol-5-yl-idene)[(1,2,5,6-η)-cyclo-octa-1,5-diene](tri-phenyl-phosphane)iridium(I) tetra-fluorido-borate.

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[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-cyclo-hexyl-phosphane-κ<i>P</i>)iridium(I) tetra-fluorido-borate di-chloro-methane monosolvate.

Project description:The title compound, [Ir(C8H12)(C6H11N3)(C18H33P)]BF4·CH2Cl2, a triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with one di-chloro-methane solvent mol-ecule per formula unit. The IrI atom of the cationic complex has a distorted square-planar coordination environment, defined by a bidentate cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri-cyclo-hexyl-phosphane ligand. The complex crystallizes in a C-centered monoclinic unit cell and has an unusually high number of eight formula units.

| S-EPMC9635413 | 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

(4-Benzyl-1-methyl-1,2,4-triazol-5-yl-idene)[(1,2,5,6-η)-cyclo-octa-1,5-diene](tri-phenyl-phosphane-κ<i>P</i>)iridium(I) tetra-fluorido-borate.

Project description:A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, [Ir(C10H11N3)(C8H12)(C18H15P)]BF4, has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the IrI ion. One significant non-standard hydrogen-bonding inter-action exists between a hydrogen atom on the N-heterocyclic carbene ligand and a fluorine atom from the counter-ion, BF4 -. In the crystal, π-π stacking inter-actions are observed between one of the phenyl rings and the triazole ring. Both inter-molecular and intra-molecular C-H⋯π(ring) inter-actions are also observed.

| S-EPMC9462361 | biostudies-literature

(Chlorido/bromido)[(1,2,5,6-η)-cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)rhodium(I).

Project description:A new triazole-based neutral RhI complex, [Rh(Cl0.846Br0.154)(C6H11N3)(C8H12)], has been synthesized and structurally characterized. The RhI atom has a distorted square-planar coordination environment, formed by a bidentate cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene and a halide ligand that shows substitutional disorder (Cl:Br = 0.846:0.154). No significant inter-molecular inter-actions other than van der Waals forces are found in the crystal structure. Diffraction data indicated a two-component inversion twin with a ratio of 0.95 (5):0.05 (5).

| S-EPMC9462365 | biostudies-literature

Dichlorido(?-cyclo-octa-1,5-diene)bis-(triphenyl-phosphine)osmium(II).

Project description:The Os(II) atom in the title compound, [OsCl(2)(C(8)H(12))(C(18)H(15)P)(2)], is located on a crystallographic twofold axis and adopts a distorted octa-hedral coordination geometry. The two triphenyl-phosphine ligands are trans to each other, while the two chlorine ligands are cis-disposed. The coordination is completed by the cyclo-octa-diene (COD) ligand with bonding to the two olefin double bonds. The C=C bond has a length of 1.403?(6)?Å, which is significntly longer than a free olefinic double bond (?1.34?Å).

| S-EPMC2970349 | biostudies-literature

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

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

Project description: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.

| S-EPMC4438853 | biostudies-literature

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