Information card for entry 4081278

Structure parameters

• Formula: C78 H104 I2 N4 U2
• Calculated formula: C78 H104 I2 N4 U2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[U]23456(I)(N1c1c(cccc1C(C)C)C(C)C)[cH]17[cH]82[cH]23[U]39%1018(I)([N](=C(C=C(C)N3c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[cH]42[cH]59[cH]67%10.Cc1ccccc1.Cc1ccccc1
• 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: 32.2666 ± 0.0016 Å
• b: 12.9502 ± 0.0005 Å
• c: 21.3847 ± 0.0011 Å
• α: 90°
• β: 124.089 ± 0.007°
• γ: 90°
• Cell volume: 7400.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No