Information card for entry 4064274

Structure parameters

• Formula: C45 H50 P2 S2 U
• Calculated formula: C45 H50 P2 S2 U
• SMILES: [U]123456789%10([S]=P(C=2P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
• Title of publication: Uranium(IV) Nucleophilic Carbene Complexes
• Authors of publication: Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2957
• a: 17.6971 ± 0.0012 Å
• b: 12.2271 ± 0.0009 Å
• c: 19.7485 ± 0.0009 Å
• α: 90°
• β: 109.576 ± 0.004°
• γ: 90°
• Cell volume: 4026.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No