Information card for entry 4079448

Structure parameters

• Formula: C24 H37 Cl U
• Calculated formula: C24 H37 Cl U
• SMILES: [U]123456789%10(Cl)([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)[CH2]=[C]9(C%10)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: 8.459 ± 0.0008 Å
• b: 17.0606 ± 0.0016 Å
• c: 16.0282 ± 0.0015 Å
• α: 90°
• β: 101.371 ± 0.001°
• γ: 90°
• Cell volume: 2267.7 ± 0.4 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: 0.0281
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No