Information card for entry 4334883

Structure parameters

• Formula: C54 H76 Ce I Li O6
• Calculated formula: C54 H76 Ce I Li O6
• SMILES: [Ce]123([I][Li]4([O]2c2c(cc(cc2Cc2cc(cc(c2[O]34)C(C)(C)C)C)C)C(C)(C)C)[O]2CCCC2)(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)[O]1CCCC1
• 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: 12.863 ± 0.0013 Å
• b: 13.3025 ± 0.0014 Å
• c: 18.87 ± 0.002 Å
• α: 96.4 ± 0.006°
• β: 102.679 ± 0.006°
• γ: 111.462 ± 0.006°
• Cell volume: 2865.5 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No