Information card for entry 4131484

Structure parameters

• Formula: C526 H317 F24 Fe4 N48 Ni6 O24.5 S8
• Calculated formula: C518.05 H311 F6.6 Fe4 N48 Ni6 O7.7 S2.3
• 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: 31.3706 ± 0.0016 Å
• b: 31.5616 ± 0.0016 Å
• c: 33.5735 ± 0.0015 Å
• α: 65.91 ± 0.002°
• β: 67.466 ± 0.002°
• γ: 62.464 ± 0.003°
• Cell volume: 26120 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2004
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.3251
• Weighted residual factors for all reflections included in the refinement: 0.3751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No