Information card for entry 4066394

Structure parameters

• Formula: C47 H82 Nd2 Si6
• Calculated formula: C42 H72 Nd2 Si6
• SMILES: [Nd]123456789%10%11%12%13%14([C]%15(=[CH]1[CH]2=[C]3([CH]4=[CH]5[CH]6=[CH]7%15)[Si](C)(C)C)[Si](C)(C)C)[CH]12=[CH]3%11[Nd]4567%11%15%16%17%18%19%20%211([CH]8([CH]94=[CH]%10%18[CH]%12%19=[C]3%13%20[Si](C)(C)C)=[C]2%14%21[Si](C)(C)C)[C]1([Si](C)(C)C)=[CH]5[CH]6=[C]7([Si](C)(C)C)[CH]%11=[CH]%15[CH]%16=[CH]%171
• Title of publication: The First Linear, Homoleptic Triple-Decker Sandwich Complex of an f-Element: A Molecular Model for Organolanthanide Nanowires†
• Authors of publication: Lorenz, Volker; Blaurock, Steffen; Hrib, Cristian G.; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4787
• a: 13.2914 ± 0.0003 Å
• b: 17.2442 ± 0.0003 Å
• c: 24.3534 ± 0.0004 Å
• α: 90°
• β: 102.68 ± 0.0015°
• γ: 90°
• Cell volume: 5445.65 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No