Information card for entry 4064270

Structure parameters

• Formula: C55 H45 N P4 S5 U
• Calculated formula: C55 H45 N P4 S5 U
• SMILES: [U]12345([S]=P(C=4P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P([C]5(=[S]3)P(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1
• 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: 38.644 ± 0.003 Å
• b: 13.7549 ± 0.0008 Å
• c: 20.2815 ± 0.0009 Å
• α: 90°
• β: 113.383 ± 0.003°
• γ: 90°
• Cell volume: 9895.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1213
• 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