Information card for entry 4515573

Structure parameters

• Formula: C68 H102 Ce2 N8 O11
• Calculated formula: C68 H102 Ce2 N8 O11
• 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: 27.711 ± 0.003 Å
• b: 19.4594 ± 0.0018 Å
• c: 15.5984 ± 0.0017 Å
• α: 90°
• β: 122.044 ± 0.0016°
• γ: 90°
• Cell volume: 7129.7 ± 1.3 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: 0.0567
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No