Information card for entry 4060519

Structure parameters

• Formula: C15 H30 I N3 O0.5
• Calculated formula: C15 H30 I N3 O0.5
• SMILES: [I-].N(CCn1c[n+](cc1)C(C)(C)C)C(C)(C)C.O1CCCC1
• 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: 22.939 ± 0.002 Å
• b: 7.6231 ± 0.0008 Å
• c: 24.024 ± 0.003 Å
• α: 90°
• β: 115.851 ± 0.002°
• γ: 90°
• Cell volume: 3780.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No