Information card for entry 4085416

Structure parameters

• Formula: C24 H57 I N4 Si3 Th
• Calculated formula: C24 H57 I N4 Si3 Th
• SMILES: [Th]123(I)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
• 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: 9.7217 ± 0.0009 Å
• b: 22.435 ± 0.002 Å
• c: 16.0507 ± 0.0015 Å
• α: 90°
• β: 97.547 ± 0.004°
• γ: 90°
• Cell volume: 3470.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1155
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No