Information card for entry 4064271

Structure parameters

• Formula: C61 H59 N P4 S4 U
• Calculated formula: C61 H59 N P4 S4 U
• SMILES: [U]1234([S]=P(C=3P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P(C=4P(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC.c1(ccccc1)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: 11.6055 ± 0.0005 Å
• b: 12.4377 ± 0.0009 Å
• c: 22.338 ± 0.0015 Å
• α: 102.783 ± 0.003°
• β: 91.916 ± 0.003°
• γ: 114.428 ± 0.004°
• Cell volume: 2834.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No