Information card for entry 4517479

Structure parameters

• Common name: Gross140 (Woormi)
• Formula: C51 H27 Co F6 N6
• Calculated formula: C51 H27 Co F6 N6
• Title of publication: Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles
• Authors of publication: Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 3764
• a: 36.007 ± 0.011 Å
• b: 12.107 ± 0.009 Å
• c: 18.503 ± 0.005 Å
• α: 90°
• β: 90.893 ± 0.009°
• γ: 90°
• Cell volume: 8065 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No