Information card for entry 4102181

Structure parameters

• Formula: C41 H80 Ce N7 O Si4
• Calculated formula: C41 H80 Ce N7 O Si4
• SMILES: [Ce]12(OC(CN3C(N(CC3)c3c(cccc3C(C)C)C(C)C)=[N]1N=[N]2C12CC3CC(CC(C1)C3)C2)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes
• Authors of publication: Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4050 - 4051
• a: 12.5342 ± 0.0007 Å
• b: 65.014 ± 0.003 Å
• c: 21.5322 ± 0.001 Å
• α: 90°
• β: 103.097 ± 0.003°
• γ: 90°
• Cell volume: 17090.1 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No