Information card for entry 7700014

Structure parameters

• Formula: C65 H115 Si10
• Calculated formula: C65 H115 Si10
• Title of publication: The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative.
• Authors of publication: Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9053 - 9056
• a: 12.9911 ± 0.0003 Å
• b: 38.3496 ± 0.0006 Å
• c: 14.8258 ± 0.0003 Å
• α: 90°
• β: 93.937 ± 0.002°
• γ: 90°
• Cell volume: 7368.8 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No