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Chlorido[1-(2-oxidophen-yl)ethyl-idene][tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium(III) chloro-form monosolvate.

ABSTRACT: In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octa-hedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10?Å longer than the two other Ir-N bonds. The chloro-form solvent mol-ecule is anchored via a weak C-H?Cl hydrogen bond to the Cl atom of the Ir complex mol-ecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak inter-molecular C-H?Cl hydrogen bonds, as well as weak Cl?Cl [3.498?(2)?Å] and Cl?? [3.360?(4)?Å] inter-actions. A weak intra-molecular C-H?O hydrogen bond is also observed.

SUBMITTER: Santos LL

PROVIDER: S-EPMC3629499 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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Chlorido[1-(2-oxidophen-yl)ethyl-idene][tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium(III) chloro-form monosolvate.

Santos Laura L LL Paneque Margarita M Mereiter Kurt K

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octa-hedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10 Å longer than the two other Ir-N bonds. The chloro-form solvent mol-ecule is anchored via a weak C-H⋯Cl hydrogen bond to the Cl atom of the Ir complex mol-ecule. In the ...[more]

PMID: 23634017

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