Information card for entry 7127868

Structure parameters

• Formula: C398 H340 Ag50 F36 N8 O4 P12 S43
• Calculated formula: C398 H340 Ag50 F36 N8 O4 P12 S43
• Title of publication: Thermochromism and piezochromism of an atomically precise high-nuclearity silver sulfide nanocluster.
• Authors of publication: Sun, Qiao-Qiao; Li, Qian; Li, Hai-Yang; Zhang, Miao-Miao; Sun, Meng-En; Li, Si; Quan, Zewei; Zang, Shuang-Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 19
• Pages of publication: 2372 - 2375
• a: 30.0312 ± 0.0002 Å
• b: 24.2172 ± 0.0002 Å
• c: 33.2627 ± 0.0002 Å
• α: 90°
• β: 95.4521 ± 0.0006°
• γ: 90°
• Cell volume: 24081.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No