Information card for entry 1558142

Structure parameters

• Formula: C53 H75 N2 O2 U
• Calculated formula: C53 H75 N2 O2 U
• SMILES: [U]1(Oc2c(cccc2C(C)C)C(C)C)(Oc2c(cccc2C(C)C)C(C)C)[N](=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.
• Authors of publication: Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7938 - 7944
• a: 20.552 ± 0.0007 Å
• b: 11.9252 ± 0.0004 Å
• c: 21.1347 ± 0.0007 Å
• α: 90°
• β: 112.708 ± 0.002°
• γ: 90°
• Cell volume: 4778.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No