Information card for entry 4102993

Structure parameters

• Common name: 2
• Formula: C50 H48 Au N O2 P2
• Calculated formula: C50 H48 Au N O2 P2
• SMILES: C([Au]C#CC1(CCCC1)O)#CC1(CCCC1)O.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.8938 ± 0.0009 Å
• b: 15.1515 ± 0.0008 Å
• c: 15.3494 ± 0.0008 Å
• α: 90°
• β: 103.356 ± 0.001°
• γ: 90°
• Cell volume: 4048.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No