Information card for entry 4128329

Structure parameters

• Formula: C112.5 H199 Au23 Pd S17
• Calculated formula: C112.5 H199 Au23 Pd S17
• Title of publication: Efficient and Selective Conversion of Phosphine-Protected (MAu₈)²⁺ (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu₁₂)⁶⁺ or Alkynyl-Protected (MAu₁₂)⁴⁺ Superatoms via Hydride Doping.
• Authors of publication: Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15994 - 16002
• a: 19.5656 ± 0.0003 Å
• b: 26.9697 ± 0.0003 Å
• c: 29.4945 ± 0.0004 Å
• α: 92.24 ± 0.001°
• β: 108.448 ± 0.001°
• γ: 96.785 ± 0.001°
• Cell volume: 14612 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No