Information card for entry 7032843

Structure parameters

• Common name: complex_5_benzyl
• Chemical name: benzyl(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)
• Formula: C43 H70 Si2 Th
• Calculated formula: C43 H70 Si2 Th
• Title of publication: Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.
• Authors of publication: Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2588 - 2596
• a: 13.017 ± 0.0002 Å
• b: 17.3983 ± 0.0003 Å
• c: 20.0305 ± 0.0003 Å
• α: 82.3334 ± 0.0009°
• β: 75.2024 ± 0.0009°
• γ: 69.8092 ± 0.0007°
• Cell volume: 4111.28 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No