Information card for entry 4080347

Structure parameters

• Formula: C40 H78 Ce Li O6 Si4
• Calculated formula: C40 H78 Ce Li O6 Si4
• SMILES: [Ce]123456789%10%11%12%13%14([CH]%15=[C]6([CH]5=[CH]4[C]3([Si](C)(C)C)=[CH]2[CH]1=[CH]7%15)[Si](C)(C)C)[CH]1=[CH]%11[CH]%13=[CH]%12[C]8([Si](C)(C)C)=[CH]9[CH]%10=[C]%141[Si](C)(C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 11.616 ± 0.002 Å
• b: 12.321 ± 0.003 Å
• c: 18.436 ± 0.004 Å
• α: 98.92 ± 0.03°
• β: 102.4 ± 0.03°
• γ: 98.87 ± 0.03°
• Cell volume: 2497.3 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No