Information card for entry 4105208

Structure parameters

• Formula: C22 H58 Ca O2 Si6
• Calculated formula: C22 H58 Ca O2 Si6
• SMILES: C[SiH](C)C([SiH](C)C)([SiH](C)C)[Ca]([O]1CCCC1)([O]1CCCC1)C([SiH](C)C)([SiH](C)C)[SiH](C)C
• Title of publication: Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)
• Authors of publication: KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15110 - 15111
• a: 23.185 ± 0.007 Å
• b: 9.352 ± 0.003 Å
• c: 18.826 ± 0.006 Å
• α: 90°
• β: 121.493 ± 0.018°
• γ: 90°
• Cell volume: 3481 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No