Information card for entry 1574951

Structure parameters

• Formula: C79 H44 N9 O P
• Calculated formula: C79 H44 N9 O P
• Title of publication: Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C₆₀.
• Authors of publication: Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13189 - 13195
• a: 15.6389 ± 0.0004 Å
• b: 13.6916 ± 0.0005 Å
• c: 23.9526 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5128.8 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No