Information card for entry 7054899

Structure parameters

• Formula: C28 H48 Si4 U
• Calculated formula: C28 H48 Si4 U
• SMILES: [U]123456789%10%11%12%13%14([CH]%15=[C]%11([Si](C)(C)C)[CH]5=[CH]4[CH]%12=[CH]3[C]2([Si](C)(C)C)=[CH]1%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
• 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: 12.6598 ± 0.0012 Å
• b: 20.3542 ± 0.0018 Å
• c: 24.645 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6350.5 ± 1 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No