Information card for entry 4127521

Structure parameters

• Formula: C60 H72 Co4 N8 O20
• Calculated formula: C60 H71.414 Co4 N8 O20
• Title of publication: Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.
• Authors of publication: Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8846 - 8857
• a: 12.6067 ± 0.001 Å
• b: 14.0325 ± 0.0006 Å
• c: 18.7571 ± 0.0012 Å
• α: 90°
• β: 106.059 ± 0.007°
• γ: 90°
• Cell volume: 3188.7 ± 0.4 ų
• Cell temperature: 184 ± 3 K
• Ambient diffraction temperature: 184 ± 3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No