Information card for entry 4108524

Structure parameters

• Formula: C63 H141 Br2 Si16
• Calculated formula: C63 H141 Br2 Si16
• Title of publication: Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne
• Authors of publication: Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13856 - 13857
• a: 18.5893 ± 0.0003 Å
• b: 12.7057 ± 0.0002 Å
• c: 38.2073 ± 0.0007 Å
• α: 90°
• β: 101.562 ± 0.0008°
• γ: 90°
• Cell volume: 8841.1 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No