Information card for entry 1574747

Structure parameters

• Formula: C320 H480 Au Cu56 O36 S44
• Calculated formula: C320 H480 Au Cu55.9996 O36 S44
• Title of publication: Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation
• Authors of publication: Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11849 - 11857
• a: 33.347 ± 0.0004 Å
• b: 33.347 ± 0.0004 Å
• c: 33.347 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37082.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No