Information card for entry 4080349

Structure parameters

• Formula: C56 H112 Ce Li O8 Si4
• Calculated formula: C56 H112 Ce Li O8 Si4
• SMILES: [C]12(=[CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[Ce]19%10%11%12%13%142345678[C]2(=[CH]1[CH]9=[C]%10([CH]%11=[CH]%12[CH]%13=[CH]%142)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.O(CCOC)C
• Title of publication: Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands
• Authors of publication: Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1435
• a: 18.051 ± 0.004 Å
• b: 19.402 ± 0.004 Å
• c: 21.261 ± 0.004 Å
• α: 90°
• β: 114.3 ± 0.03°
• γ: 90°
• Cell volume: 6786 ± 3 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: 0.061
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No