Information card for entry 4126693

Structure parameters

• Formula: C95 H122 N6 S4 Si2
• Calculated formula: C95 H122 N6 S4 Si2
• Title of publication: Facile Conversion of Bis-Silylene to Cyclic Silylene Isomers: Unexpected C-N and C-H Bond Cleavage.
• Authors of publication: Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 17.7211 ± 0.0015 Å
• b: 27.855 ± 0.002 Å
• c: 18.2418 ± 0.0016 Å
• α: 90°
• β: 92.844 ± 0.003°
• γ: 90°
• Cell volume: 8993.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0859
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No