[(3-Methylphenyl)(triphenylphosphonio)methanide-κC]triphenylphosphorane}(pentafluorophenyl-κC)gold(I) diethyl ether solvate

The metal atom in the title ylid–gold(I) adduct, [Au(C6F5)(C26H23P)]·C4H10O, exists in a linear coordination environment [C—Au—C = 174.1 (2)°]. The molecule has a short intramolecular contact involving an aromatic H atom (Au⋯H = 2.64 Å); two adjacent molecules are linked by an Au⋯Hylid interaction (Au⋯H = 3.14 Å).


S1. Comment
The hydrogen atom H132 of a PPh 3 phenyl group approaches the gold centre quite closely, the distance of 2.64 Å is at the lower end of the range for Au···H interactions, 2.60 to 3.07 Å, as described by Baukova et al. (1995Baukova et al. ( , 1997, Friedrichs & Jones (2004a, b, c) and Räisänen et al. (2007). The proton at the ylide carbon atom furthermore links two formula units together that are related by a centre of inversion (symmetry code i = -x, -y+1, -z+1). Another Au···H contact is formed by H23A of the diethyl ether solvent which approaches the gold centre at about 3.04 Å.
Gold(I) ylide complexes thus could represent an interesting field to study Au···H interactions also with other techniques e.g. NMR, which has been reported by Baukova et al. (1997).
Related compounds to (I) exhibiting similar geometric properties were reported by Usón et al. (1986Usón et al. ( , 1987Usón et al. ( , 1990. The compound reported in the latest publication also exhibits a Au···H interaction with a separation of 3.08 Å; the molecules are linked to form chains related by 2 1 screw operations instead of the dimers found in (I).

S3. Refinement
All H atoms were positioned geometrically (C-H = 0.95, 1.00 and 0.98 Å for aromatic and aliphatic CH and CH 3 groups, respectively) and constrained to ride on their parent atoms; U iso (H) values were set at 1.2 times U eq (C) for CH groups and 1.5 times U eq (C) for CH 3 groups.
The maximum residual electron density of 1.85 e Å -3 is located 0.91 Å next to Au1.  The asymmetric unit of (I), ellipsoids are drawn at the 50% probability level, hydrogen atoms are omitted for clarity.

[(3-Methylphenyl)(triphenylphosphonio)methanide-κC](pentafluorophenyl-κC)gold(I) diethyl ether solvate
where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.002 Δρ max = 1.85 e Å −3 Δρ min = −0.67 e Å −3 Special details 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 > 2σ(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.