Information card for entry 4131485

Structure parameters

• Formula: C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13
• Calculated formula: C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002
• Title of publication: Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.
• Authors of publication: Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 32
• Pages of publication: 11008 - 11011
• a: 38.8188 ± 0.0008 Å
• b: 38.8188 ± 0.0008 Å
• c: 111.372 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 145342 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.3763
• Weighted residual factors for all reflections included in the refinement: 0.3879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No