Information card for entry 7705222

Structure parameters

• Chemical name: Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-(tert-butyl-isocyano)-iodo-uranium(iii)
• Formula: C39 H67 I N U
• Calculated formula: C39 H67 I N U
• SMILES: [U]12345678(I)([cH]9[c]3([c]2(C(C)C)[c]6([c]89C(C)C)C(C)C)C(C)C)([cH]2[c]1([c]4(C(C)C)[c]5([c]72C(C)C)C(C)C)C(C)C)C#[N]C(C)(C)C
• Title of publication: Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.
• Authors of publication: Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11971 - 11977
• a: 10.3988 ± 0.0009 Å
• b: 11.2181 ± 0.0011 Å
• c: 18.702 ± 0.002 Å
• α: 100.465 ± 0.005°
• β: 96.791 ± 0.005°
• γ: 110.915 ± 0.004°
• Cell volume: 1963.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No