Information card for entry 1565233

Structure parameters

• Chemical name: 2014/7
• Formula: C60 H74 B4 O8 P2
• Calculated formula: C60 H74 B4 O8 P2
• Title of publication: Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction
• Authors of publication: Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.9474 ± 0.0018 Å
• b: 14.32 ± 0.002 Å
• c: 19.292 ± 0.003 Å
• α: 104.883 ± 0.002°
• β: 91.015 ± 0.002°
• γ: 99.535 ± 0.002°
• Cell volume: 2876.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No