Information card for entry 4114564

Structure parameters

• Formula: C42 H42 Si5
• Calculated formula: C42 H42 Si5
• SMILES: [Si]([Si]1([Si]2([Si]3([Si](C)(C)C)c4ccccc4c4ccccc34)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12)(C)(C)C
• Title of publication: Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion
• Authors of publication: Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 49 - 57
• a: 10.713 ± 0.001 Å
• b: 13.4592 ± 0.0014 Å
• c: 13.6979 ± 0.0013 Å
• α: 94.279 ± 0.002°
• β: 94.337 ± 0.002°
• γ: 99.094 ± 0.002°
• Cell volume: 1937.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No