Information card for entry 1565174

Structure parameters

• Formula: C19 H25 Co N2 O6
• Calculated formula: C19 H25 Co N2 O6
• Title of publication: Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant
• Authors of publication: Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 282 - 299
• a: 17.5321 ± 0.0014 Å
• b: 17.5321 ± 0.0014 Å
• c: 10.9885 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2925.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No