Information card for entry 4085417

Structure parameters

• Formula: C28 H67 N5 Si3 Th
• Calculated formula: C28 H67 N5 Si3 Th
• SMILES: [Th]123(N([Si](C)(C)C(C)(C)C)CC[N]3(CCN1[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)N(CC)CC
• Title of publication: Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond
• Authors of publication: Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2386
• a: 10.005 ± 0.0004 Å
• b: 23.2032 ± 0.0008 Å
• c: 16.5776 ± 0.0006 Å
• α: 90°
• β: 97.754 ± 0.002°
• γ: 90°
• Cell volume: 3813.3 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No