Reuter Hans, Röwekamp-Krugley Natalia, Imwalle Marius, Keil Simona, Reichelt Martin
Institute of Chemistry of New Materials, University of Osnabrueck, Barbarstr. 7, 49069 Osnabrueck, Germany.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 16;71(Pt 12):m267-8. doi: 10.1107/S2056989015023932. eCollection 2015 Dec 1.
The title compound, [SnBr4(C4H8S2)] {systematic name: catena-poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ(2) S:S']}, represents the first 1,4-di-thiane complex with tin as coordination centre. The asymmetric unit consist of half a formula unit with the tin(IV) atom at the centre of symmetry at 0,0,1/2 (Wyckoff symbol b) and a centrosymmetric 1,4-di-thiane mol-ecule with the centre of symmetry in 1/2,0,1 (Wyckoff symbol c). The tin(IV) atom is coordinated in a distorted octa-hedral manner by the four bromine atoms and two sulfur atoms of two 1,4-di-thiane mol-ecules in a trans-position. Sn-Br [mean value: 2.561 (5) Å] and Sn-S distances [2.6546 (6) Å] are in the typical range for octa-hedrally coordinated tin(IV) atoms and the di-thiane mol-ecule adopts a chair conformation. The one-dimensional polymeric chains propagate along the [101] direction with weak inter-molecular Br⋯Br [3.5724 (4) Å] between parallel chains and weak Br⋯H inter-actions [2.944-2.993 Å] within the chains.
标题化合物[SnBr₄(C₄H₈S₂)]{系统命名:链状聚[[四溴化锡(IV)]-μ-1,4-二硫杂环己烷-κ(2) S:S']},是首例以锡为配位中心的1,4-二硫杂环己烷配合物。不对称单元由半个分子式单元组成,锡(IV)原子位于对称中心(0,0,1/2)(Wyckoff符号b),还有一个中心对称的1,4-二硫杂环己烷分子,其对称中心位于(1/2,0,1)(Wyckoff符号c)。锡(IV)原子以扭曲的八面体方式由四个溴原子和两个处于反位的1,4-二硫杂环己烷分子的两个硫原子配位。Sn-Br[平均值:2.561(5)Å]和Sn-S距离[2.6546(6)Å]处于八面体配位锡(IV)原子的典型范围内,且二硫杂环己烷分子呈椅式构象。一维聚合物链沿[101]方向延伸,平行链之间存在弱的分子间Br⋯Br[3.5724(4)Å]相互作用,链内存在弱的Br⋯H相互作用[2.944 - 2.993Å]。