Information card for entry 1543101

Structure parameters

• Formula: C41 H72 N O Si2 U
• Calculated formula: C41 H72 N O Si2 U
• SMILES: [U]123456789%10%11(=O)(C#[N]C(C)(C)C)([CH]%12=[CH]1[CH]2=[CH]3[C]4([Si](C(C)C)(C(C)C)C(C)C)=[CH]5[CH]6=[C]7%12[Si](C(C)C)(C(C)C)C(C)C)[c]1([c]8([c]9([c]%10([c]1%11C)C)C)C)C
• Title of publication: Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
• Authors of publication: Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4624
• a: 22.8816 ± 0.0013 Å
• b: 12.0603 ± 0.0005 Å
• c: 16.2087 ± 0.0008 Å
• α: 90°
• β: 108.372 ± 0.006°
• γ: 90°
• Cell volume: 4245 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No