Information card for entry 4064268

Structure parameters

• Formula: C37 H44 Cl3 Li O3 P2 S2 U
• Calculated formula: C37 H44 Cl3 Li O3 P2 S2 U
• SMILES: [U]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(Cl)([S]=P(C3=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1
• 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: 36.441 ± 0.003 Å
• b: 19.0149 ± 0.0008 Å
• c: 11.6868 ± 0.0009 Å
• α: 90°
• β: 92.213 ± 0.004°
• γ: 90°
• Cell volume: 8092 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1303
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No