Information card for entry 1567571

Structure parameters

• Formula: C75 H106 F6 N4 O4 Sb U
• Calculated formula: C75 H106 F6 N4 O4 Sb U
• Title of publication: Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand
• Authors of publication: Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 23.6833 ± 0.0013 Å
• b: 12.0691 ± 0.0006 Å
• c: 27.9262 ± 0.0013 Å
• α: 90°
• β: 113.169 ± 0.002°
• γ: 90°
• Cell volume: 7338.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No