Information card for entry 4334879

Structure parameters

• Formula: C68 H92 Ce Li N2 O7
• Calculated formula: C68 H92 Ce Li N2 O7
• SMILES: [Ce]1234([O](c5c(cc(cc5Cc5cc(cc(c5O1)C(C)(C)C)C)C)C(C)(C)C)[Li]([O]2c1c(cc(cc1Cc1cc(cc(c1O3)C(C)(C)C)C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)[n]1ccccc1c1[n]4cccc1.O1CCCC1
• Title of publication: Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes
• Authors of publication: Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5970 - 5977
• a: 17.9237 ± 0.0011 Å
• b: 19.409 ± 0.0012 Å
• c: 18.025 ± 0.0012 Å
• α: 90°
• β: 94.044 ± 0.003°
• γ: 90°
• Cell volume: 6254.9 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No