Information card for entry 4070245

Structure parameters

• Formula: C14 H24 F3 Ge N O3 S
• Calculated formula: C14 H24 F3 Ge N O3 S
• SMILES: C(c1cc[n+](cc1)C)[Ge](C)(C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Carbon−Germanium Hyperconjugation: Solid-State and Gas-Phase Investigations of (Trialkylgermyl)methyl-Substituted Pyridinium Ions
• Authors of publication: Karnezis, Asimo; O’Hair, Richard A.J.; White, Jonathan M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6480
• a: 10.7763 ± 0.0003 Å
• b: 11.292 ± 0.0003 Å
• c: 31.2541 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803.19 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No