Information card for entry 1567565

Structure parameters

• Formula: C62 H101 Cl N4 O5 U
• Calculated formula: C62 H101 Cl N4 O5 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: 15.083 ± 0.003 Å
• b: 17.018 ± 0.003 Å
• c: 24.513 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6292 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No