Information card for entry 4102177

Structure parameters

• Formula: C92 H172 Ce2 N14 O2 Si10
• Calculated formula: C92 H172 Ce2 N14 O2 Si10
• SMILES: C1(=[N+](CCN1c1c(cccc1C(C)C)C(C)C)CC(C)(O[Ce]1(N=N#[N][Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N=N#[N]1)OC(C[N+]1=C(N(CC1)c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 13.71 ± 0.0006 Å
• b: 14.9679 ± 0.0007 Å
• c: 14.9982 ± 0.0007 Å
• α: 88.187 ± 0.003°
• β: 81.333 ± 0.002°
• γ: 72.347 ± 0.002°
• Cell volume: 2899 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No