Information card for entry 7019305

Structure parameters

• Formula: C44 H80 Li4 O4 Si4
• Calculated formula: C44 H80 Li4 O4 Si4
• Title of publication: First structural evidence for multiple alkali metals between sandwich decks in a metallocene.
• Authors of publication: Jeletic, Matthew; Perras, Frédéric A; Gorelsky, Serge I.; Le Roy, Jennifer J.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8060 - 8066
• a: 10.713 ± 0.002 Å
• b: 11.295 ± 0.003 Å
• c: 11.483 ± 0.002 Å
• α: 99.865 ± 0.012°
• β: 108.105 ± 0.011°
• γ: 97.319 ± 0.013°
• Cell volume: 1276.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0903
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No