Information card for entry 1567154

Structure parameters

• Common name: Ag6(3S)4(OTf)6.Ag6(3S)4(CCtBu)4.3CH3CN.H2O
• Formula: C60 H84 Ag12 F18 N3 O19 S30
• Calculated formula: C60 H84 Ag12 F18 N3 O19 S30
• Title of publication: Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane
• Authors of publication: Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 15.6815 ± 0.0006 Å
• b: 15.1285 ± 0.0005 Å
• c: 48.3672 ± 0.0019 Å
• α: 90°
• β: 98.426 ± 0.001°
• γ: 90°
• Cell volume: 11350.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0727
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No