Information card for entry 4079450

Structure parameters

• Formula: C28 H44 U
• Calculated formula: C28 H44 U
• SMILES: [U]123456789%10([c]%11([c]4([c]3([c]2([c]1%11C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)(C[C]9(=[CH2]%10)C)CC(=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: 16.4323 ± 0.0008 Å
• b: 14.4904 ± 0.0007 Å
• c: 21.0299 ± 0.001 Å
• α: 90°
• β: 97.6487 ± 0.0005°
• γ: 90°
• Cell volume: 4962.9 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0154
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No