Information card for entry 1569126

Structure parameters

• Formula: C123 H109 Ag4 Au6 B6 Cl4 F24 N27
• Calculated formula: C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27
• Title of publication: Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.
• Authors of publication: Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6207 - 6215
• a: 35.541 ± 0.0003 Å
• b: 15.07664 ± 0.00017 Å
• c: 50.5683 ± 0.0005 Å
• α: 90°
• β: 93.2056 ± 0.0009°
• γ: 90°
• Cell volume: 27054.1 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No