Information card for entry 4515572

Structure parameters

• Formula: C124 H174 Ce4 N21 O32
• Calculated formula: C124 H174 Ce4 N21 O32
• Title of publication: Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
• Authors of publication: Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 6939
• a: 15.263 ± 0.003 Å
• b: 27.226 ± 0.004 Å
• c: 17.096 ± 0.003 Å
• α: 90°
• β: 96.089 ± 0.004°
• γ: 90°
• Cell volume: 7064 ± 2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0999
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No