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

A new rhenium(II) nitrosyl complex has been synthesized and characterized by IR, UV-VIS, NMR (H-1 and P-31) 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 anisotropically to R = 5.52% 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 one chlorine atom and O-triphenylphosphine ligand is trans to nitrosyl group. The PPh3 and OPPh3 groups are cis. Re-CI bond trans to PPh3 [2.377(2) Angstrom] is longer than the mutually trans Re-Cl bonds [2.358(2) and 2.350(2) Angstrom]. The rhenium atom is pushed by 0.12 Angstrom towards nitrosyl ligand out of the least-squares plane defined by the atoms: Cl(1), Cl(2), Cl(3) and P(2).