Information card for entry 4079447

Structure parameters

• Formula: C26 H40 U
• Calculated formula: C26 H40 U
• SMILES: [U]123456789%10([c]%11([c]1([c]2([c]3([c]4%11C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)([CH2]=[CH]9C%10)CC=C
• Title of publication: Synthesis and CO2 Insertion 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: 16.6441 ± 0.0006 Å
• b: 17.5923 ± 0.0006 Å
• c: 16.9473 ± 0.0006 Å
• α: 90°
• β: 109.863 ± 0.0004°
• γ: 90°
• Cell volume: 4667.1 ± 0.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No