Information card for entry 4079985

Structure parameters

• Formula: C50 H54 F6 Ge O7 S2
• Calculated formula: C50 H53.85 F6 Ge O7 S2
• Title of publication: Facile, High-Yield Functionalization of Germanium and Tin by Oxidative Insertion of Tetrelenes into the E‒H Bonds of Inorganic Acids (E = C, N, O, F): Arene Elimination versus Oxidative Addition and Formation of a Germanium Cation‒Water Complex
• Authors of publication: Brown, Zachary D.; Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 617
• a: 12.2686 ± 0.0014 Å
• b: 25.414 ± 0.003 Å
• c: 15.593 ± 0.0017 Å
• α: 90°
• β: 94.108 ± 0.002°
• γ: 90°
• Cell volume: 4849.3 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No