Information card for entry 4347186

Structure parameters

• Formula: C31 H48 Cl4 Li2 N2 O3 U
• Calculated formula: C31 H48 Cl4 Li2 N2 O3 U
• SMILES: [U]123456789%10%11(Cl)([Cl][Li]%12([N]2%13[C]%11(C(C)(C)C)=[CH]%10[CH]4=[C]5%13C(C)(C)[C]26[N]3%12[C]9(=[CH]8[CH]7=2)C(C)(C)C)[O]2CCCC2)[Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.
• Authors of publication: Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2998 - 3006
• a: 10.26 ± 0.0003 Å
• b: 11.209 ± 0.0003 Å
• c: 17.849 ± 0.0006 Å
• α: 96.878 ± 0.001°
• β: 99.668 ± 0.001°
• γ: 110.134 ± 0.0016°
• Cell volume: 1864.61 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No