Information card for entry 7032841

Structure parameters

• Common name: complex_3_carbonate
• Chemical name: (mu-carbonato)bis{(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)}
• Formula: C43.5 H71 O1.5 Si2 Th
• Calculated formula: C43.5 H71 O1.5 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: 12.283 ± 0.003 Å
• b: 13.356 ± 0.003 Å
• c: 15.689 ± 0.003 Å
• α: 65.93 ± 0.03°
• β: 67.92 ± 0.03°
• γ: 72.3 ± 0.03°
• Cell volume: 2142.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No