Information card for entry 4103000

Structure parameters

• Common name: 7c
• Formula: C84 H96 Au3 Cu2 N O6 P2
• Calculated formula: C84 H96 Au3 Cu2 N O6 P2
• SMILES: [Au]1[C]([Cu]234[C]([Au][C]5[Cu]67([C]1#[C]6C1(O)CCCCC1)([C]#5C1(O)CCCCC1)[C]([Au][C]3#[C]4C1(O)CCCCC1)#[C]7C1(O)CCCCC1)#[C]2C1(O)CCCCC1)#CC1(O)CCCCC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(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: 18.3693 ± 0.0013 Å
• b: 18.5923 ± 0.0013 Å
• c: 23.6603 ± 0.0017 Å
• α: 90°
• β: 94.312 ± 0.001°
• γ: 90°
• Cell volume: 8057.8 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No