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Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2) P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)
The asymmetric unit of the title compound, [Cu(NCS)(C(3)H(8)N(2)S)(C(27)H(26)P(2))], contains two independent mononuclear complex molecules. In each, the Cu(I) ion exhibits a distorted tetrahedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, o...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350702/ https://www.ncbi.nlm.nih.gov/pubmed/25844209 http://dx.doi.org/10.1107/S2056989015002479 |
Sumario: | The asymmetric unit of the title compound, [Cu(NCS)(C(3)H(8)N(2)S)(C(27)H(26)P(2))], contains two independent mononuclear complex molecules. In each, the Cu(I) ion exhibits a distorted tetrahedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N′-dimethylthiourea (dmtu) ligand and one terminal N atom of the thiocyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP(2)C(3) ring. In both molecules, the coordination of the dmtu ligand is further stabilized by an intramolecular N—H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, molecules are linked by N—H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent molecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639 (11):0.361 (11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent molecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin. |
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