Information card for entry 7708563

Structure parameters

• Common name: POB-076 - 17OBA005
• Formula: C52.77 H54.41 Cl1.53 Co4 N4 O18.44
• Calculated formula: C52.767 H54.4086 Cl1.534 Co4 N4 O18.4373
• 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: 13.1722 ± 0.0003 Å
• b: 22.6021 ± 0.0005 Å
• c: 19.3273 ± 0.0004 Å
• α: 90°
• β: 105.554 ± 0.001°
• γ: 90°
• Cell volume: 5543.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No