The crystal and molecular structure of hexachloro‐tris(μ‐allylthiourea) ditungsten (III) monohydrate {W 2 [SC(NH 2 )NHCH 2 CHCH 2 ] 3 Cl 6 } · H 2 O

A new kind of binuclear tungsten complex {W 2 [SC(NH 2 )NHCH 2 CHCH 2 ] 3 Cl 6 } H 2 O was synthesized by mixing a concentrated hydrochloric acid solution of [W 2 Cl] 3− with allylthiourea and investigated by X‐ray structural analysis. The crystal is monoclinic, belonging to the space group P2 1 , with the following parameters: a = 8.496(1)Å, b = 18.760(2)Å, c = 8.591(1)Å, β = 91.36(1)' and Z = 2 with D c = 2.297 g·cm −3 . The structure was solved by heavy atom method and difference Fourier synthesis and refined by full‐matrix least‐squares technique to a final R factor of 0.038 for 2812 independent reflections with I ≥ 3σ( I ). The result shows that in the structure each W atom forms an octahedral coordination with three Cl atoms and three bridging S atoms of the allylthiourea molecules. These two octahedra share a common face to form a binuclear complex with a very much shorter W‐W bond distance (2.443(1)Å), indicating a strong interaction between the two W atoms. Judging from the orientation of the thiourea ligand groups with respect to the W‐S bonds, the thiourea S atoms are coordinated to the two W atoms in different manners. It is noted that one of the two W atoms is located at the point of intersection of the three thiourea planes, while the other W atom is located quite apart from these thiourea planes with three W‐S bonds nearly perpendicular to each of them respectively.