Information card for entry 1565779

Structure parameters

• Formula: C81 H186 Ag20 O27 P12 Pt S24
• Calculated formula: C81 H186 Ag20 O27 P12 Pt S24
• Title of publication: Alloying dichalcogenolate-protected Ag₂₁ eight-electron nanoclusters: a DFT investigation.
• Authors of publication: Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 196 - 203
• a: 22.7267 ± 0.0014 Å
• b: 22.7267 ± 0.0014 Å
• c: 27.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12341.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No