Information card for entry 1543100

Structure parameters

• Formula: C36 H63 N0 O Si2 U
• Calculated formula: C36 H63 O Si2 U
• SMILES: [U]123456789%10%11(=O)([CH]%12=[C]2([Si](C(C)C)(C(C)C)C(C)C)[CH]3=[CH]4[C]5([Si](C(C)C)(C(C)C)C(C)C)=[CH]1[CH]6=[CH]7%12)[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: 38.0927 ± 0.0019 Å
• b: 11.6377 ± 0.0006 Å
• c: 16.7259 ± 0.0007 Å
• α: 90°
• β: 100.791 ± 0.005°
• γ: 90°
• Cell volume: 7283.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No