Information card for entry 4073850

Structure parameters

• Formula: C37 H70 Li O2 Si4 Tb
• Calculated formula: C37 H70 Li O2 Si4 Tb
• SMILES: [Tb]123456789%10%11%12%13%14([C]%15(=[CH]7[CH]6=[C]5([CH]4=[CH]3[CH]2=[CH]1%15)[Si](C)(C)C)[Si](C)(C)C)[CH]12=[CH]%11[C]%12([Si](C)(C)C)=[CH]%10[CH]9=[C]%13([Si](C)(C)C)[CH]%14=[CH]81[Li]12[O](C)CC[O]1C.CCCCC
• Title of publication: A Surprising Solvent Effect on the Crystal Structure of an Anionic Lanthanide Sandwich Complex†
• Authors of publication: Lorenz, Volker; Edelmann, Anja; Blaurock, Steffen; Freise, Fritjof; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6681
• a: 14.059 ± 0.003 Å
• b: 14.773 ± 0.003 Å
• c: 22.533 ± 0.005 Å
• α: 90°
• β: 104.31 ± 0.03°
• γ: 90°
• Cell volume: 4534.8 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No