www.elsevier.nl/locate/ica Inorganica Chimica Acta 312 (2001) 201 – 204 Note Further investigations into the isomerism of Cu(II) complexes of diphenylsulfimide: the preparation and X-ray crystal structure of {[Cu(Ph 2 SNH) 4 ][CuBr 2 (Ph 2 SNH) 2 ]Br 2 }, the first example of a {[CuL 4 ][CuX 2 L 2 ]X 2 } structure Paul F. Kelly a, *, Alexandra M.Z. Slawin b , Kevin W. Waring a , Sonia Wilson a a Department of Chemistry, Loughborough Uniersity, Loughborough, Leicestershire LE11 3TU, UK b Department of Chemistry, St.Andrews Uniersity, St Andrews, Scotland, UK Received 7 June 2000; accepted 12 September 2000 Abstract Green crystalline [Cu(Ph 2 SNH) 4 ][CuBr 2 (Ph 2 SNH) 2 ]Br 2 (2) forms when the product of the reaction of CuBr 2 with Ph 2 SNH (1) (molar ratio 1:3) in MeCN is extracted into CH 2 Cl 2 –60/80 petroleum ether and the solvents allowed to evaporate slowly. The product is notable for two reasons: not only does it contain the CuBr 2 (Ph 2 SNH) 2 unit in the hitherto unseen planar isomer (the free material forming only the pseudo-tetrahedral isomer), but, more significantly, it is also the first example of a structurally characterised [CuL 4 ][CuX 2 L 2 ]X 2 system. © 2001 Elsevier Science B.V. All rights reserved. Keywords: Isomerism; Copper(II) complexes; Crystal structures; Sulfimides As part of our continuing interest in the coordination chemistry of sulfur – nitrogen species we have recently reported on the reactivity of S,S -diphenylsulfimide, Ph 2 SNH (1), towards a number of metal centres. This work has resulted in the isolation of a range of prod- ucts including complexes of 1 (such as [Co(Ph 2 SNH) 6 ]- Cl 2 , which, unexpectedly, exhibits strong, concerted, directed hydrogen bonding between both sets of triple NH units on either side of the coordination octahe- dron) [1] and of metal-assisted nitrile adducts of 1 [2]. We have also shown that a range of copper complexes may be formed; these include the homoleptic [Cu(Ph 2 SNH) 4 ] 2 + cation and oxo-bridged clusters of the type [Cu 4 ( 4 -O)(-X) 6 (Ph 2 SNH) 4 ] (X =Cl or Br) [3]. An intriguing aspect of the copper coordination chem- istry of 1 was revealed by the observation that trans - [CuCl 2 (Ph 2 SNH) 2 ], the product of the 2:1 reaction of 1 with CuCl 2 , can crystallise in either square-planar or pseudo-tetrahedral geometries [4]. Such isomerism ap- pears to be unique for a neutral Cu(II) species and the compound thus provided an important addition to the known examples of concomitant polymorphs [5]. Subse- quently, we showed that the bromo analogue trans - [CuBr 2 (Ph 2 SNH) 2 ] can only be isolated in a pseudo-tetrahedral form [3]. All these results indicate that the coordination chemistry of 1 is not as straight- forward as one might have expected, a conclusion reinforced by the observations presented in this work. The reaction of 1 with CuBr 2 (molar ratio 3:1) in MeCN results in a green solution. If the solvent is removed, the residue taken into CH 2 Cl 2 and treated with 60/80 petroleum ether, slow evaporation to half volume yields a mass of well-formed glistening green crystals. X-ray crystallography reveals these to corre- spond to the formula [Cu(Ph 2 SNH) 4 ][CuBr 2 - (Ph 2 SNH) 2 ]Br 2 (2), i.e. they contain both the homo- leptic cation and the neutral trans -CuBr 2 (Ph 2 SNH) 2 in * Corresponding author. Tel.: +44-1509-263171; fax: +44-1509- 223925. E-mail address: p.f.kelly@lboro.ac.uk (P.F. Kelly). 0020-1693/01/$ - see front matter © 2001 Elsevier Science B.V. All rights reserved. PII:S0020-1693(00)00338-8