(Acetylacetonato-κ2 O,O′)carbonyl[dicyclohexyl(2,6-diisopropylphenyl)phosphane-κP]rhodium(I)

In the title compound, [Rh(C5H7O2){C12H17P(C6H11)2}(CO)], the RhI atom is coordinated by one carbonyl C, one P and two O atoms, forming a slighlty distorted square-planar configuration.

In the title compound, [Rh(C 5 H 7 O 2 ){C 12 H 17 P(C 6 H 11 ) 2 }(CO)], the Rh I atom is coordinated by one carbonyl C, one P and two O atoms, forming a slighlty distorted square-planar configuration.

Experimental
Crystal data [Rh(C 5  Transition metal complexes bearing functionalized phosphines are of interest due to their potential catalytic properties (Ocando-Mavarez et al., 2003). These complexes are used with various chiral ligands in the process of highly enantioselective hydroformylation reactions (Nozaki et al., 1997). Studies illustrating the catalytic importance of rhodium(I) square-planar moieties have been conducted on rhodium mono-and di-phosphane complexes containing the symmetrical bidentate ligand, acac (acac = acetylacetonate) (Moloy & Wegman, 1989;Erasmus & Conradie, 2011) as well as rhodium-catalyzed asymmetric 1,4-addition (Hayashi & Yamasaki, 2003). This work is part of an ongoing investigation aimed at determing the steric effects induced by various phosphine ligands on a rhodium(I) metal centre.

Refinement
All H atoms were placed in geometrically idealized positions (C-H = 0.95-1.00) and constrained to ride on their parent atoms, with U iso (H) = 1.2U eq (C) for aromatic, methine and methylene H atoms, and U iso (H) = 1.5U eq (C) for methyl H atoms respectively. Methyl torsion angles were refined from electron density. Friedel Pairs = 2437.

Special details
Experimental. The intensity data was collected on a Bruker Apex DUO 4 K CCD diffractometer using an exposure time of 2 s/frame. A total of 1125 frames were collected with a frame width of 0.5° covering up to θ = 28.18° with 99.1% completeness accomplished. Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Rh1