Information card for entry 4085418

Structure parameters

• Formula: C48 H112 N8 Si6 Th2
• Calculated formula: C48 H112 N8 Si6 Th2
• 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: 13.9997 ± 0.0003 Å
• b: 21.9902 ± 0.0005 Å
• c: 20.9322 ± 0.0005 Å
• α: 90°
• β: 91.306 ± 0.002°
• γ: 90°
• Cell volume: 6442.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No