Information card for entry 4323870

Structure parameters

• Formula: C279 H279 Cu18 N18 S18
• Calculated formula: C279 H279 Cu18 N18 S18
• 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: 16.081 ± 0.002 Å
• b: 26.65 ± 0.004 Å
• c: 32.747 ± 0.006 Å
• α: 67.32 ± 0.013°
• β: 76.18 ± 0.012°
• γ: 81.226 ± 0.012°
• Cell volume: 12545 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3385
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections: 0.3059
• Weighted residual factors for significantly intense reflections: 0.2286
• Goodness-of-fit parameter for all reflections: 0.907
• Goodness-of-fit parameter for significantly intense reflections: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No