trans-Carbonylchlorobis(tribenzylphosphine)rhodium(I)

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.010 A Ê R factor = 0.048 wR factor = 0.091 Data-to-parameter ratio = 10.1 For details of how these key indicators were automatically derived from the article, see

Triferrocenylphosphine oxide monohydrate

“…This was found previously with similar¯exible phosphines, e.g. tribenzylphosphine (Muller et al, 2002) and ferrocenyldiphenylphosphine (Otto et al, 2000). The structures of IÐPFc 3 and H 2 C PFc 3 are examples where the ferrocenyl fragments have different orientations with respect to the XÐP moieties (torsion angles given in Table 3) but still possess similar cone angles.…”

A crystallographic and DFT study on Vaska-type trans-[Rh(CO)Cl(PR3)2] complexes containing flexible ligands: The molecular structure of trans-[Rh(CO)Cl{P(OC6H5)3}2]

“…All the Vaska-type compounds in the above series crystallize in the triclinic space group P 1. Both compounds trans-[Rh(CO)Cl{P(CH 2 C 6 H 5 ) 3 } 2 ], 1 [19] and trans-[Rh(CO)Cl{P(O-2,6-Me 2 C 6 H 3 ) 3 } 2 ], 4 [21] crystallize with Z = 2. This results in the case of compound 1, like compound 2, in the Rh atom lying on a general position and therefore no statistical disorder of the Cl-Rh-CO moiety was observed.…”

“…The influence of the packing of the complexes with PR 3 = P(CH 2 C 6 H 5 ) 3 , 1 [19], P(OC 6 H 5 ) 3 , 2, P(O-2-MeC 6 H 4 ) 3 , 3, [20] and P(O-2,6-Me 2 C 6 H 3 ) 3 , 4, [21] was evaluated by comparing the X-ray structures with the results from DFT calculations on these complexes. Two of these complexes do not show statistical disorder of the Cl-Rh-CO moiety in the solid state, namely 1 and 2, while 3 and 4 show a disorder of this moiety.…”