Information card for entry 4079449

Structure parameters

• Formula: C28 H40 O4 U
• Calculated formula: C28 H40 O4 U
• SMILES: [U]123456789%10([O]=C(O1)CC=C)([O]=C(O2)CC=C)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
• Title of publication: Synthesis and CO2Insertion Reactivity of Allyluranium Metallocene Complexes
• Authors of publication: Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7191
• a: 8.4244 ± 0.0005 Å
• b: 20.0795 ± 0.0012 Å
• c: 15.6383 ± 0.001 Å
• α: 90°
• β: 97.9538 ± 0.0006°
• γ: 90°
• Cell volume: 2619.9 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No