Information card for entry 7025298

Structure parameters

• Formula: C42 H38 P2 S2 U
• Calculated formula: C42 H38 P2 S2 U
• SMILES: [U]123456789%10([S]=P(C2=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]%10[cH]9[cH]8[cH]71.c1(ccccc1)C
• Title of publication: Easy access to uranium nucleophilic carbene complexes.
• Authors of publication: Tourneux, Jean-Christophe; Berthet, Jean-Claude; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2494 - 2496
• a: 13.0722 ± 0.0006 Å
• b: 16.8709 ± 0.0009 Å
• c: 16.748 ± 0.0008 Å
• α: 90°
• β: 90.816 ± 0.003°
• γ: 90°
• Cell volume: 3693.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No