Information card for entry 7708564

Structure parameters

• Common name: POB-088b - 17OBA006
• Formula: C60 H56 Co4 N4 O20
• Calculated formula: C60 H56 Co4 N4 O20
• Title of publication: Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation.
• Authors of publication: Gutiérrez-Tarriño, Silvia; Gaona-Miguélez, José; Oña-Burgos, Pascual
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 17.5793 ± 0.0004 Å
• b: 19.7177 ± 0.0005 Å
• c: 21.5413 ± 0.0005 Å
• α: 70.4554 ± 0.0014°
• β: 80.3622 ± 0.0014°
• γ: 70.778 ± 0.0013°
• Cell volume: 6630.4 ± 0.3 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: 0.1002
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No