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The molecular structure of ( η  5 -C 5 H 5 ) 2 NbClS 2  has been redetermined. The compound crystallizes in the orthorhombic space group  P 2 1 2 1 2 1  with  a  = 12.176(3) Å,  b  = 7.177(1) Å,  c  = 13.144(4) Å and  Z  = 4. The structure was refined using 1367 independent reflections to the final  R  value of 0.046. The molecule is pseudo-tetrahedral with the two cyclopentadienyl rings, the S 2  group and the Cl atom as ligands. The S – S bond length of 2.03(1) and 1.93(2) Å suggest strongly that the S 2  ligand has to be formulated as S 2  2−  ligand. In earlier investigations a S – S bond length of 1.73(2) Å has been found, because a statistical disorder in the coordination sphere of Niob has not been detected.

Die Fehlordnung in der Kristallstruktur von Chlorodisulfido-di- η 5 -cyclopentadienyl-niob ( η 5 -C 5 H 5 ) 2 NbClS 2