Information card for entry 4070246

Structure parameters

• Formula: C14 H24 F3 Ge N O3 S
• Calculated formula: C14 H24 F3 Ge N O3 S
• SMILES: [O-]S(=O)(=O)C(F)(F)F.c1(cccc[n+]1C)C[Ge](C)(C)C(C)(C)C
• 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: 30.8277 ± 0.0006 Å
• b: 10.5744 ± 0.0002 Å
• c: 11.2514 ± 0.0002 Å
• α: 90°
• β: 94.261 ± 0.002°
• γ: 90°
• Cell volume: 3657.64 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No