Information card for entry 7019304

Structure parameters

• Formula: C22 H40 Na2 O2 Si2
• Calculated formula: C22 H40 Na2 O2 Si2
• 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: 7.3962 ± 0.0002 Å
• b: 20.1718 ± 0.0004 Å
• c: 17.1472 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2558.27 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No