Information card for entry 4114563

Structure parameters

• Formula: C12 H8 Cl2 Si
• Calculated formula: C12 H8 Cl2 Si
• SMILES: c12ccccc1c1c([Si]2(Cl)Cl)cccc1
• 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: 7.4375 ± 0.0006 Å
• b: 12.154 ± 0.001 Å
• c: 12.7246 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1150.24 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No