TY - JOUR
T1 - Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow
AU - Fuller, R.O.
AU - Griffith, C.S.
AU - Koutsantonis, George
AU - Lapere, Kim
AU - Skelton, Brian
AU - Spackman, Mark
AU - White, Allan
AU - Wild, Duncan
PY - 2012
Y1 - 2012
N2 - Single crystal X-ray studies are presented for the 'piano-stool' structures [CpRu,Os(CO)(2)Cl], [Cp'Ru(CO)(2)X] (X = Cl, Br, I (redetermination)), [Cp*Ru(CO)(2)Cl] (two phases), enabling the assembly of comparative geometric data for the [CpM(CO)(2)Cl] (M = Fe, Ru, Os), [Cp, Cp'Ru(CO)(2)X] (X = Cl, Br, I) and [(CpRu)-Ru-x(CO)(2)Cl] (Cp-x = Cp (eta-C5H5), Cp' (eta-C5H4CH3), Cp* (eta-C5CH3)(5), Cp-Ph (eta-C-5(C6H5)(5))). In the [Cp'Ru(CO)(2)X] arrays, the methyl groups are found to consistently lie 'eclipsed' visa-vis the halogen substituents, with a concomitant tilt of the Cp ring; the reasons for this are explored theoretically.
AB - Single crystal X-ray studies are presented for the 'piano-stool' structures [CpRu,Os(CO)(2)Cl], [Cp'Ru(CO)(2)X] (X = Cl, Br, I (redetermination)), [Cp*Ru(CO)(2)Cl] (two phases), enabling the assembly of comparative geometric data for the [CpM(CO)(2)Cl] (M = Fe, Ru, Os), [Cp, Cp'Ru(CO)(2)X] (X = Cl, Br, I) and [(CpRu)-Ru-x(CO)(2)Cl] (Cp-x = Cp (eta-C5H5), Cp' (eta-C5H4CH3), Cp* (eta-C5CH3)(5), Cp-Ph (eta-C-5(C6H5)(5))). In the [Cp'Ru(CO)(2)X] arrays, the methyl groups are found to consistently lie 'eclipsed' visa-vis the halogen substituents, with a concomitant tilt of the Cp ring; the reasons for this are explored theoretically.
U2 - 10.1039/c1ce05439b
DO - 10.1039/c1ce05439b
M3 - Article
VL - 14
SP - 812
EP - 818
JO - CrystEngComm.
JF - CrystEngComm.
SN - 1466-8033
ER -