CRYSTAL STRUCTURE OF (О·5-PENTAMETHYLCYCLOPENTADIENYL){BIS(PENTAFLUOROPHENYL)THIOMETHYLPHENYLPHOSPHINE-Оє2S,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, QueenВўs 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, О·5-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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