Information card for entry 7129506

Structure parameters

• Formula: C48 H14 Cu F20 N6
• Calculated formula: C48 H14 Cu F20 N6
• Title of publication: Copper(II) tetrakis(pentafluorophenyl)porphyrin: Highly Active Copper-based Molecular Catalyst for Electrochemical CO2 Reduction
• Authors of publication: Kosugi, Kento; Kashima, Hina; Kondo, Mio; Masaoka, Shigeyuki
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.9205 ± 0.0007 Å
• b: 11.2461 ± 0.0005 Å
• c: 15.0429 ± 0.0006 Å
• α: 90°
• β: 115.758 ± 0.005°
• γ: 90°
• Cell volume: 2120.99 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1455
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No