Information card for entry 4337637

Structure parameters

• Formula: C45 H82 Ce2 O9
• Calculated formula: C45 H82 Ce2 O9
• SMILES: [Ce]12([O](C(C)(C)C)[Ce]([O]1C(C)(C)C)([O]2C(C)(C)C)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]=C(c1ccccc1)c1ccccc1)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.
• Authors of publication: Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2751 - 2753
• a: 12.2206 ± 0.0003 Å
• b: 24.6808 ± 0.0004 Å
• c: 17.2941 ± 0.0004 Å
• α: 90°
• β: 101.127 ± 0.002°
• γ: 90°
• Cell volume: 5118.09 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No