Information card for entry 4064273

Structure parameters

• Formula: C74 H66 Cl3 P4 S4 Tl U2
• Calculated formula: C74 H66 Cl3 P4 S4 Tl U2
• SMILES: [U]12345678([Cl][U]9%10%11%12%13%14([Cl]1)([Cl]2)([S]=P(C=%10P(=[S]9)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)([S]=P(C=4P(=[S]3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51.[Tl+].c1(ccccc1)C.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: 12.8993 ± 0.0006 Å
• b: 16.7058 ± 0.001 Å
• c: 18.289 ± 0.0013 Å
• α: 84.286 ± 0.004°
• β: 82.55 ± 0.004°
• γ: 70.172 ± 0.003°
• Cell volume: 3669.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No