Information card for entry 4517478

Structure parameters

• Common name: Gross184b (Woormi)
• Formula: C93 H27 F30 Fe2 N13
• Calculated formula: C93 H27 F30 Fe2 N13
• 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: 14.7609 ± 0.001 Å
• b: 16.1284 ± 0.0012 Å
• c: 20.1218 ± 0.0014 Å
• α: 73.575 ± 0.002°
• β: 89.177 ± 0.003°
• γ: 66.103 ± 0.004°
• Cell volume: 4173.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No