Information card for entry 4323869

Structure parameters

• Formula: C24 H30 Cu3 N3 S3
• Calculated formula: C24 H30 Cu3 N3 S3
• SMILES: C[N]1(C)[Cu]234[S](c5c1cccc5)[Cu]154[N](c4c(cccc4)[S]1[Cu]135[N](c3c(cccc3)[S]21)(C)C)(C)C
• Title of publication: Copper(I) Arenethiolates with Intramolecular Coordination and the Formation of Mixed Organo(arenethiolato)copper(I) Aggregates. X-ray Structures of Trimeric [Cu(SC6H4NMe2-2)]3, Nonameric [Cu(S-1-C10H6NMe2-8)]9, and Hexanuclear [Cu3(S-1-C10H6NMe2-8)2(C\τbCtBu)]2
• Authors of publication: Maurits D. Janssen; Johannes G. Donkervoort; Sofia B. van Berlekom; Anthony L. Spek; David M. Grove; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4752 - 4763
• a: 18.2325 ± 0.0007 Å
• b: 18.2325 ± 0.0007 Å
• c: 6.841 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1969.44 ± 0.16 ų
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for all reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Goodness-of-fit parameter for all reflections: 0
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No