Information card for entry 4081279

Structure parameters

• Formula: C70 H82 D12 I2 N4 O2 U2
• Calculated formula: C70 H94 I2 N4 O2 U2
• SMILES: C1=C(N(c2c(cccc2C(C)C)C(C)C)[U]2(I)([N](=C1C)c1c(cccc1C(C)C)C(C)C)O[U]1(I)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)O2)C.c1ccccc1.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: 11.5779 ± 0.0007 Å
• b: 11.6898 ± 0.0007 Å
• c: 13.6188 ± 0.0006 Å
• α: 95.987 ± 0.004°
• β: 99.56 ± 0.004°
• γ: 104.433 ± 0.005°
• Cell volume: 1739.64 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No