The crystal and molecular structures of fac- and mer-trans-bromotricarbonylbis(dimethoxyphenylphosphine)- manganese(I)

Comparative Binding of H2, N2, and Related Ligands to [Mn(CO)3(PCy3)2]+ and Other 16e Electrophiles. N2 Does Not Coordinate, and H2 Is the Most Versatile Weak Ligand

“…X-ray crystallography confirmed this structure, which contains a center of inversion (Figure , Tables and ). The closest other known structure of this type is for trans -MnBr(CO) 3 [P(OMe) 2 Ph] 2 , which contains smaller phosphonite ligands instead of PCy 3 and disorder in the Br ligand …”

A crystallographic and spectroscopic investigation of the stereochemistry of [MBr(CO)3L2] (M=Mn, Re) complexes: crystal and molecular structures of [MBr(CO)3L2] {M=Mn, L=P(C6H4Cl-4)3, 1/2dppe, 1/2dppf; M=Re, L=P(C6H4OMe-4)3, 1/2dppf}

“…A recent publication by Pope and Reid [9] has reported the synthesis of 4 and also describes an X-ray structure of 4×/ 1/2CHCl 3 . The structures of the [MnBr(CO) 3 L 2 ] complexes with two monodentate organophosphine ligands usually have either fac ,cis -or mer ,trans-stereochemistry, and their relative stabilities must be very similar since Kruger et al [12] have isolated and crystallographically characterised both isomers for [MnBr(CO) 3 {P-Ph(OMe) 2 } 2 ]. There are no literature reports of isolation of the mer ,cis -structural type to date, although it appears that such species have been generated electrochemically [13].…”

“…The molecular structure reported here for 4, as its solvate 4 ×/CHCl 3 , is very similar to that previously reported [9] for 4×/1/2CHCl 3 but unit cell parameters and Z values are very different. Bond lengths and bond angles may be appropriately compared to previously structurally characterised bromotricarbonyl Mn(I) and Re(I) P-donor ligand derivatives: 4 ×/1/2CHCl 3 [9], fac ,cis -[MBr(CO) 3 L 2 ] {M0/Mn, L 0/PPhH 2 , PPh(OMe) 2 [9,12] M 0/Re, L 0/PPh 2 (OEt), 1/2h 2 -CH 3 C(CH 2 PPh 2 ) 3 , 1/2C 6 H 4 P(CH 2 OH) 2 [19 Á/21]} and mer ,trans -[MnBr(CO) 3 {PPh(OMe) 2 } 2 ] [12]. The chloro compounds [MnCl(CO) 3 (dppf)] and [ReCl(CO) 3 (dppf)], which are closely related to 6 and 12 have also been characterized crystallographically [22,23].…”