Information card for entry 1565236

Structure parameters

• Formula: C22 H29 B2 Cl0.25 Li2.25 O P
• Calculated formula: C22 H29 B2 Cl0.25 Li2.25 O P
• 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: 28.597 ± 0.006 Å
• b: 14.635 ± 0.003 Å
• c: 23.112 ± 0.004 Å
• α: 90°
• β: 106.257 ± 0.004°
• γ: 90°
• Cell volume: 9286 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No