Information card for entry 8000141

Structure parameters

• Formula: C25 H37 Ce O10
• Calculated formula: C25 H37 Ce O10
• SMILES: [Ce]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)([O]=C(C)C=C(O)C)[O]=C(C=C(O)C)C
• Title of publication: A Dimeric Cerium(III) Acetylacetonate Complex Containing Intramolecular and Intermolecular Hydrogen Bond
• Authors of publication: Bai, Fenghua; Su, Haiquan; Chang, Fei
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1104
• a: 14.778 ± 0.003 Å
• b: 11.618 ± 0.002 Å
• c: 17.513 ± 0.004 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 2992.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No