Information card for entry 7131655

Structure parameters

• Formula: C60 H108 Ge3 N6
• Calculated formula: C60 H108 Ge3 N6
• Title of publication: Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.
• Authors of publication: Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 47
• Pages of publication: 7251 - 7254
• a: 15.4003 ± 0.0002 Å
• b: 14.5568 ± 0.0002 Å
• c: 29.3234 ± 0.0003 Å
• α: 90°
• β: 105.105 ± 0.001°
• γ: 90°
• Cell volume: 6346.57 ± 0.14 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No