23171-48-4Relevant academic research and scientific papers
Neutron Diffraction Study of fac-*MeOH
Bau, Robert,Schwerdtfeger, Christina J.,Garlaschelli, Luigi,Koetzle, Thomas F.
, p. 3359 - 3362 (2007/10/02)
The structure of the methanol solvate of the facial isomer of has been analysed by neutron diffraction.Data were obtained at 55 +/- 0.1 K using a single crystal of volume 17.6 mm3 and the structure refined to final agreement factors of R(F2) = 0.053 and R'(F2) = 0.064 for 1615 reflections.The Ir atom is situated on a three-fold rotation axis.Distances and angles correspond well to those expected for a complex with normal terminal H atoms: Ir-H 1.627(4), Ir-P 2.314(2) Angstroem; H-Ir-H 83.4(2), P-Ir-P 98.6(1), and H-Ir-P 88.5(2), 169.1(2) deg.As expected, the overall geometry of the complex is distorted octahedral, with the hydrogen ligands compressed together by the steric bulk of the phosphines, as evidenced by the H-Ir-H (90 deg) angles.The compound crystallizes in the rhombohedral space group R3, with a = 10.367(1) Angstroem and α = 108.19(6) deg at T = 55 +/- 0.1 K.
