Information card for entry 1567802

Structure parameters

• Formula: C112 H182 Au22 Cl2 P2 S14
• Calculated formula: C112 H182 Au22 Cl2 P2 S14
• Title of publication: Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters
• Authors of publication: Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 33.411 Å
• b: 16.475 Å
• c: 54.849 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30191.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2797
• Weighted residual factors for all reflections included in the refinement: 0.3253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No