Information card for entry 7024065

Structure parameters

• Chemical name: Lithium tris(tetrahydrofuran) Uranium(IV) pentakis(2,6-dimethylphenoxide) azide
• Formula: C52 H69 Li N3 O8 U
• Calculated formula: C52 H69 Li N3 O8 U
• SMILES: [O]1([Li]([O]2CCCC2)([O]2CCCC2)N=N#[N][U](Oc2c(C)cccc2C)(Oc2c(C)cccc2C)(Oc2c(C)cccc2C)(Oc2c(cccc2C)C)Oc2c(cccc2C)C)CCCC1
• Title of publication: U(IV) and U(V) azide complexes supported by amide or aryloxide ligands.
• Authors of publication: Fortier, Skye; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 352 - 354
• a: 12.5251 ± 0.0014 Å
• b: 20.098 ± 0.002 Å
• c: 20.536 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5169.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No