Information card for entry 4081273

Structure parameters

• Formula: C41 H53 D6 I3 N2 U
• Calculated formula: C41 H59 I3 N2 U
• SMILES: [U]123(I)(I)(I)[N](=C([CH]2=[CH]3(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1
• Title of publication: β-Diketiminate Derivatives of Alkali Metals and Uranium
• Authors of publication: Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5058
• a: 22.595 ± 0.006 Å
• b: 18.131 ± 0.004 Å
• c: 10.48 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4293.3 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No