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Título

(Butane-1,4-diyl)(trimethylphosphane-κP)[tris(3,5-dimethylpyrazol-1- yl-κN 2)hydroborato]iridium(III)

AutorGómez, Margarita CSIC; Santos, Laura L. CSIC ORCID; Paneque, Margarita CSIC ORCID; Mereiter, Kurt
Palabras claveData-to-parameter ratio = 24.7.
Single-crystal X-ray study
wR factor = 0.040
R factor = 0.017
Disorder in main residue
mean (C–C) = 0.003 A°
T = 173 K
Fecha de publicación2013
EditorBlackwell Publishing
CitaciónActa Crystallographica Section E: Structure Reports Online 69: m234- m235 (2013)
ResumenIn the mononuclear title iridium(III) complex, [Ir(C4H 8)(C15H22BN6)(C3H 9P)], which is based on the [tris(3,5-dimethylpyrazol-1-yl) hydroborato]iridium moiety, Ir[TpMe2], the IrIII atom is coordinated by a chelating butane-1,4-diyl fragment and a trimethylphosphane ligand in a modestly distorted octahedral coordination environment formed by three facial N, two C and one P atom. The iridium-butane-1,4-diyl ring has an envelope conformation. This ring is disordered because alternately the second or the third C atom of the butane-1,4-diyl fragment function as an envelope flap atom (the occupancy ratio is 1:1). In the crystal, molecules are organized into densely packed columns extending along [101]. Coherence between the molecules is essentially based on van der Waals interactions.
URIhttp://hdl.handle.net/10261/97365
DOI10.1107/S1600536813008040
Identificadoresdoi: 10.1107/S1600536813008040
issn: 1600-5368
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