Information card for entry 7222399

Structure parameters

• Common name: Methyl-triphenyl-germane
• Chemical name: Methyltriphenyl germanium
• Formula: C19 H18 Ge
• Calculated formula: C19 H18 Ge
• SMILES: c1(ccccc1)[Ge](c1ccccc1)(c1ccccc1)C
• Title of publication: A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids.
• Authors of publication: Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 28866 - 28878
• a: 18.5689 ± 0.0002 Å
• b: 9.5521 ± 0.0001 Å
• c: 18.3723 ± 0.0002 Å
• α: 90°
• β: 107.433 ± 0.001°
• γ: 90°
• Cell volume: 3109.05 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No