Information card for entry 1567578

Structure parameters

• Formula: C60 H80 Co2 N8 O6
• Calculated formula: C60 H80 Co2 N8 O6
• Title of publication: Direct observation of reversible bond homolysis by 2D EXSY NMR
• Authors of publication: Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9202 - 9209
• a: 13.2692 ± 0.0003 Å
• b: 15.2605 ± 0.0004 Å
• c: 16.5352 ± 0.0004 Å
• α: 77.6834 ± 0.0004°
• β: 76.0242 ± 0.0005°
• γ: 66.204 ± 0.0004°
• Cell volume: 2947.53 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No