Information card for entry 4102180

Structure parameters

• Formula: C31 H56 N4 O Si4 U
• Calculated formula: C31 H56 N4 O Si4 U
• SMILES: C12N(CCN1c1c(cccc1C(C)C)C(C)C)CC(C)(C)O[U]=2(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: 20.3248 ± 0.001 Å
• b: 10.7829 ± 0.0005 Å
• c: 19.9568 ± 0.0009 Å
• α: 90°
• β: 110.601 ± 0.002°
• γ: 90°
• Cell volume: 4094.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No