Information card for entry 2240779

Structure parameters

• Chemical name: 4-(Trimethylgermyl)benzoic acid
• Formula: C10 H14 Ge O2
• Calculated formula: C10 H14 Ge O2
• SMILES: [Ge](c1ccc(C(=O)O)cc1)(C)(C)C
• Title of publication: Crystal structure of 4-(trimethylgermyl)benzoic acid
• Authors of publication: Knauer, Lena; Barth, Eva R.; Golz, Christopher; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 687 - 689
• a: 6.356 ± 0.0004 Å
• b: 12.3927 ± 0.0006 Å
• c: 14.2084 ± 0.0007 Å
• α: 96.348 ± 0.004°
• β: 92.846 ± 0.004°
• γ: 93.246 ± 0.004°
• Cell volume: 1108.76 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes