Information card for entry 4118690

Structure parameters

• Formula: C93 H145 Cl2 Si6
• Calculated formula: C93 H145 Cl2 Si6
• Title of publication: Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers
• Authors of publication: Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16008 - 16016
• a: 20.1594 ± 0.0005 Å
• b: 27.1066 ± 0.0005 Å
• c: 33.288 ± 0.0007 Å
• α: 90°
• β: 97.8871 ± 0.0019°
• γ: 90°
• Cell volume: 18018.2 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1367
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No