Information card for entry 1569485

Structure parameters

• Formula: C18 H10 Cl Cu F6 N3 P
• Calculated formula: C19.5 H42 Cl Cu F6 N3 P
• Title of publication: Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol
• Authors of publication: Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4968 - 4977
• a: 10.9907 ± 0.0008 Å
• b: 10.9907 ± 0.0008 Å
• c: 23.1929 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2426.3 ± 0.3 ų
• Cell temperature: 178 K
• Ambient diffraction temperature: 178 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.3052
• Weighted residual factors for all reflections included in the refinement: 0.3133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No