Information card for entry 7120023

Structure parameters

• Formula: C58.35 H36.7 Cl0.7 Co F10 N6 O4 P
• Calculated formula: C58.35 H36.7 Cl0.7 Co F10 N6 O4 P
• Title of publication: Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution
• Authors of publication: Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.99 ± 0.008 Å
• b: 35.806 ± 0.016 Å
• c: 8.617 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5242 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No