Information card for entry 7054898

Structure parameters

• Formula: C28 H48 Si4 Th
• Calculated formula: C28 H48 Si4 Th
• SMILES: [Th]123456789%10%11%12%13%14([CH]%15=[C]%11([CH]4=[CH]%12[CH]%13=[CH]3[C]2([Si](C)(C)C)=[CH]1%15)[Si](C)(C)C)[CH]1=[C]%14([CH]%10=[CH]9[CH]8=[CH]7[C]6([Si](C)(C)C)=[CH]51)[Si](C)(C)C
• 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: 12.7123 ± 0.001 Å
• b: 20.3964 ± 0.0015 Å
• c: 24.7167 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6408.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No