Information card for entry 4134384

Structure parameters

• Formula: C96 H180 Ce6 O40
• Calculated formula: C96 H180 Ce6 O40
• Title of publication: Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids.
• Authors of publication: Shirase, Satoru; Tamaki, Sota; Shinohara, Koichi; Hirosawa, Keishi; Tsurugi, Hayato; Satoh, Tetsuya; Mashima, Kazushi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.2401 ± 0.0004 Å
• b: 15.6758 ± 0.0002 Å
• c: 15.7321 ± 0.0004 Å
• α: 64.493 ± 0.003°
• β: 76.63 ± 0.004°
• γ: 65.59 ± 0.004°
• Cell volume: 3082.38 ± 0.17 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No