Information card for entry 4102992

Structure parameters

• Common name: 1
• Formula: C78 H84 Au N O4 P2
• Calculated formula: C78 H84 Au N O4 P2
• 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: 18.595 ± 0.002 Å
• b: 22.072 ± 0.002 Å
• c: 15.8951 ± 0.0017 Å
• α: 90°
• β: 106.429 ± 0.002°
• γ: 90°
• Cell volume: 6257.4 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No