Information card for entry 4066162

Structure parameters

• Formula: C38 H69 Ce O Si
• Calculated formula: C38 H69 Ce O Si
• SMILES: [Ce]12345678(OC[Si](C)(C)C)([c]9([cH]1[c]2([c]3([cH]49)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]5[c]6([c]7([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Bridging Silyl Groups in σ-Bond Metathesis and [1,2]-Shifts. Experimental and Computational Study of the Reaction between Cerium Metallocenes and MeOSiMe3†
• Authors of publication: Werkema, Evan L.; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5103
• a: 10.269 ± 0.002 Å
• b: 20.104 ± 0.005 Å
• c: 18.983 ± 0.004 Å
• α: 90°
• β: 97.329 ± 0.003°
• γ: 90°
• Cell volume: 3887 ± 1.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No