Information card for entry 1552028

Structure parameters

• Formula: C70 H105 N3 O7 Si U
• Calculated formula: C70 H105 N3 O7 Si U
• Title of publication: The role of uranium-arene bonding in H2O reduction catalysis
• Authors of publication: Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 259 - 267
• a: 11.36 ± 0.002 Å
• b: 25.522 ± 0.005 Å
• c: 22.856 ± 0.004 Å
• α: 90°
• β: 97.314 ± 0.003°
• γ: 90°
• Cell volume: 6573 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No