Information card for entry 7054904

Structure parameters

• Formula: C40 H78 La Li O6 Si4
• Calculated formula: C40 H78 La Li O6 Si4
• SMILES: [La]123456789%10%11%12%13%14([C]%15([Si](C)(C)C)=[CH]1[CH]2=[C]%11([Si](C)(C)C)[CH]3=[CH]%12[CH]4=[CH]5%15)[C]1([Si](C)(C)C)=[CH]6[CH]7=[C]%13([Si](C)(C)C)[CH]8=[CH]%14[CH]9=[CH]%101.C[O]1CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand
• Authors of publication: Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7656
• a: 11.557 ± 0.002 Å
• b: 12.262 ± 0.003 Å
• c: 18.34 ± 0.004 Å
• α: 98.83 ± 0.03°
• β: 102.56 ± 0.03°
• γ: 98.57 ± 0.03°
• Cell volume: 2461.5 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No