Information card for entry 4118688

Structure parameters

• Formula: C69 H113 I6 Si5
• Calculated formula: C69 H113 I6 Si5
• 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: 15.1361 ± 0.0004 Å
• b: 15.2175 ± 0.0003 Å
• c: 17.7339 ± 0.0004 Å
• α: 90.6585 ± 0.0018°
• β: 103.886 ± 0.002°
• γ: 99.861 ± 0.002°
• Cell volume: 3900.84 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No