Information card for entry 4111086

Structure parameters

• Chemical name: 3,3-Bis-trimethylsilyl-1,3-selenasiletane
• Formula: C8 H22 Se Si3
• Calculated formula: C8 H22 Se Si3
• SMILES: C1[Se]C[Si]1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
• Authors of publication: Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14949 - 14961
• a: 12.2465 ± 0.0007 Å
• b: 12.1821 ± 0.0007 Å
• c: 9.7334 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.11 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No