Information card for entry 1562340

Structure parameters

• Formula: C210 H177 Au23 F12 N12 Sb2
• Calculated formula: C210 H177 Au23 F12 N12 Sb2
• Title of publication: Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores
• Authors of publication: Hirano, Koto; Takano, Shinjiro; Tsukuda, Tatsuya
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• a: 20.1518 ± 0.0004 Å
• b: 24.0064 ± 0.0004 Å
• c: 25.2448 ± 0.0005 Å
• α: 61.645 ± 0.002°
• β: 89.9897 ± 0.0018°
• γ: 82.7479 ± 0.0016°
• Cell volume: 10636.5 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No