The synthesis, crystal, molecular and electronic structure of [ReCl3(NO)(OPPh3)(PPh3] complex

A new rhenium(I) nitrosyl complex has been synthesized and characterized by IR, UV-VIS, NMR (1H and 31P) and magnetochemical measurements. Its ligand field parameters have been determined (Dq =2810, Ds =-3712 and Dt =822 cm-1). The crystal and molecular structure of [ReCl3(NO)(OPPh3)(PPh3] has been solved by the heavy atom method and refined anisotropy to R = 5.53% for 7525 unique observed reflections. The crystals of [ReCl3(NO)(OPPh3)(PPh3] contain distorted octahedral molecules, in which the triphenylphosphine ligand is trans with respect to the chlorine atom and O-triphenylphosphine ligand is trans to nitrosyl group. The PPh3 and OPPh3 groups are cis. Re-Cl bond trans to PPh3 [2.377(2) A] is longer than mutually trans Re-Cl bonds [2.358(2) and 2.350(2) A]. The rhenium atom is pushed by 0.12 A towards nitrosyl ligand out of the least-squares plane defined by the atoms: Cl(1), Cl(2), Cl(3) and P(2). (author)