Information card for entry 4102176

Structure parameters

• Formula: C34 H74 Ce I N4 O Si5
• Calculated formula: C34 H74 Ce I N4 O Si5
• SMILES: C1(=[N+](CCN1c1c(cccc1C(C)C)C(C)C)CC(C)(C)O[Ce]1(N([Si](C)(C)C)[Si]1(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)I)[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: 9.7094 ± 0.0002 Å
• b: 16.401 ± 0.0004 Å
• c: 16.4221 ± 0.0004 Å
• α: 106.65 ± 0.001°
• β: 94.867 ± 0.001°
• γ: 106.296 ± 0.001°
• Cell volume: 2365.67 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No