Information card for entry 7111507

Structure parameters

• Formula: C52 H96 Ce Li N4 O
• Calculated formula: C52 H96 Ce Li N4 O
• SMILES: [Ce]1([N]([Li]([O]2CCCC2)[N]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(N(C1CCCCC1)[CH]1CCCCC1)N(C1CCCCC1)C1CCCCC1
• Title of publication: Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation
• Authors of publication: Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 3546 - 3548
• a: 15.1681 ± 0.0003 Å
• b: 19.1024 ± 0.0004 Å
• c: 18.1727 ± 0.0003 Å
• α: 90°
• β: 96.822 ± 0.001°
• γ: 90°
• Cell volume: 5228.21 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No