Information card for entry 4083623

Structure parameters

• Formula: C18 H26 N4 O7 Si2
• Calculated formula: C18 H26 N4 O7 Si2
• SMILES: [Si](C([Si](C)(C)C)c1cc[nH+]cc1)(C)(C)C.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Solution and Solid-State Structure of 2- and 4-Bis(trimethylsilyl)methylpyridinium Cations
• Authors of publication: Hassall, Kathyrn; Schiesser, Carl H.; White, Jonathan M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3094
• a: 8.1984 ± 0.0011 Å
• b: 12.0862 ± 0.0017 Å
• c: 12.4671 ± 0.0017 Å
• α: 69.703 ± 0.003°
• β: 82.395 ± 0.002°
• γ: 80.066 ± 0.003°
• Cell volume: 1137.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No