Information card for entry 4102261

Structure parameters

• Formula: C46 H83 P Pd Si6
• Calculated formula: C46 H83 P Pd Si6
• SMILES: [Pd]1([Si]2(C(CCC([Si]1=2c1ccccc1)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex
• Authors of publication: Takashi Abe; Takeaki Iwamoto; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5008 - 5009
• a: 11.231 ± 0.002 Å
• b: 20.76 ± 0.004 Å
• c: 22.617 ± 0.005 Å
• α: 90°
• β: 99.409 ± 0.002°
• γ: 90°
• Cell volume: 5202.3 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No