CRYSTAL STRUCTURE OF (η5-PENTAMETHYLCYCLOPENTADIENYL){BIS(PENTAFLUOROPHENYL)THIOMETHYLPHENYLPHOSPHINE-κ2S,P)CHLOROIRIDIUM(III) TETRAFLUOROBORATE
R.M. Bellabarba1, M. Nieuwenhuyzen2, G.C. Saunders3
1Current address: Sasol Technology (UK) Ltd, Purdie Building, North Haugh, St Andrews, KY16 9ST, United Kingdom
2The School of Chemistry, Queen¢s University Belfast, David Keir Building, Belfast, BT9 5BA, United Kingdom
3Department of Chemistry, The University of Waikato, Private Bag 3105, Hamilton 3240, New Zealand
g.saunders@waikato.ac.nz
Keywords: conglomerate, η5-pentamethylcyclopentadienyl, iridium, X-ray structure
Abstract
The salt (η5-pentamethylcyclopentadienyl){bis(pentafluorophenyl)thiomethylphenylphosphine-κ2S,P)chloroiridium(III) tetrafluoroborate, [(η5-C5Me5)IrCl{κ2S,P-(C6F5)2PC6H4SMe-2}]BF4, crystallizes as a conglomerate in the orthorhombic crystal system in space group P212121 with unit cell parameters a = 9.9621(9) Å, b = 16.7793(15) Å, c = 18.5040(16) Å, V = 3093.1(5) Å3, Z = 4, dcalc = 2.014 g⋅cm–3. The structure of the SIr, SS stereoisomer reveals three-legged piano stool geometry about Ir, with Cp*—Ir, Ir—P, Ir—S and Ir—Cl distances of 1.847(5), 2.2791(14), 2.3451(13) and 2.3840(12) Å respectively.
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