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Title

Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl) hydroborato]iridium(III) chloroform monosolvate

AuthorsSantos, Laura L. ; Paneque, Margarita ; Mereiter, Kurt
KeywordsR factor = 0.028
Mean (C–C) = 0.005 A˚
wR factor = 0.071
Data-to-parameter ratio = 23.6.
T = 173 K
Key indicators: single-crystal X-ray study
Issue Date2013
PublisherBlackwell Publishing
CitationActa Crystallographica Section E: Structure Reports Online 69: m224- m225 (2013)
AbstractIn the title compound, [Ir(C15H22BN 6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octahedral 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 chloroform solvent molecule is anchored via a weak C-H⋯Cl hydrogen bond to the Cl atom of the Ir complex molecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak intermolecular C-H⋯Cl hydrogen bonds, as well as weak Cl⋯Cl [3.498 (2) Å] and Cl⋯π [3.360 (4) Å] interactions. A weak intramolecular C-H⋯O hydrogen bond is also observed.
URIhttp://hdl.handle.net/10261/97368
DOI10.1107/S1600536813007344
Identifiersdoi: 10.1107/S1600536813007344
issn: 1600-5368
Appears in Collections:(IIQ) Artículos
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