Information card for entry 4103798

Structure parameters

• Formula: C104 H104 Li2 O2 P6 S6 U
• Calculated formula: C104 H104 Li2 O2 P6 S6 U
• SMILES: S1[Li]2([S]=P(C([U]34)=P(S[Li]([S]=P(C3=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P(C4=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](CC)CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](CC)CC.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes
• Authors of publication: Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 963 - 972
• a: 29.658 ± 0.002 Å
• b: 21.8217 ± 0.0011 Å
• c: 29.9635 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19392 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No