Information card for entry 7112010

Structure parameters

• Formula: C52 H62 Ca O4 Si2
• Calculated formula: C52 H62 Ca O4 Si2
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.137 ± 0.001 Å
• b: 11.833 ± 0.002 Å
• c: 20.015 ± 0.002 Å
• α: 90°
• β: 105.746 ± 0.006°
• γ: 90°
• Cell volume: 2310.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No