Information card for entry 7112011

Structure parameters

• Formula: C48 H56 Ca O5 Si2
• Calculated formula: C48 H56 Ca O5 Si2
• SMILES: [Ca]123([Si](c4ccccc4)(c4ccccc4)c4ccccc4)([Si](c4ccccc4)(c4ccccc4)c4ccccc4)([O](C)CC[O]1CC[O]2CC[O]3C)[O]1CCCC1
• Title of publication: Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium
• Authors of publication: Valeri Leich; Thomas P. Spaniol; Laurent Maron; Jun Okuda
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2311
• a: 9.408 ± 0.003 Å
• b: 15.948 ± 0.005 Å
• c: 14.884 ± 0.003 Å
• α: 90°
• β: 106.145 ± 0.005°
• γ: 90°
• Cell volume: 2145.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1678
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No