Information card for entry 4102997

Structure parameters

• Common name: 6b
• Formula: C82 H92 Au3 Cl8 Cu2 N O6 P2
• Calculated formula: C82 H92 Au3 Cl8 Cu2 N O6 P2
• SMILES: [Au]1[C]2[Cu]345([C]#2C2(O)CCCC2)[C]([Au][C]2[Cu]6([C]1#[C]6C1(O)CCCC1)([C]#2C1(O)CCCC1)[C]([Au][C]4#[C]5C1(O)CCCC1)#CC1(O)CCCC1)#[C]3C1(O)CCCC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters
• Authors of publication: Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12307 - 12318
• a: 18.0506 ± 0.0013 Å
• b: 20.7398 ± 0.0015 Å
• c: 22.5954 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8458.9 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No