Information card for entry 4060520

Structure parameters

• Formula: C18 H31 N3
• Calculated formula: C18 H31 N3
• SMILES: N(CCn1c[n+](cc1)C(C)(C)C)C(C)(C)C.[cH-]1cccc1
• Title of publication: Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes
• Authors of publication: Liddle, Stephen T.; Arnold, Polly L.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2597 - 2605
• a: 14.04 ± 0.004 Å
• b: 9.176 ± 0.002 Å
• c: 15.583 ± 0.004 Å
• α: 90°
• β: 110.878 ± 0.004°
• γ: 90°
• Cell volume: 1875.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No