Information card for entry 7037326

Structure parameters

• Formula: C18 H23 Cl Ge
• Calculated formula: C18 H23 Cl Ge
• SMILES: [Ge](Cl)(C#CC(C)(C)C)(C#CC(C)(C)C)c1ccccc1
• Title of publication: Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.
• Authors of publication: Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6159 - 6174
• a: 9.5784 ± 0.0004 Å
• b: 12.8035 ± 0.0006 Å
• c: 14.997 ± 0.0007 Å
• α: 90°
• β: 90.53 ± 0.003°
• γ: 90°
• Cell volume: 1839.11 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No