Information card for entry 4318341

Structure parameters

• Chemical name: dichlorodi(2-phenethyl)germane
• Formula: C16 H18 Cl2 Ge
• Calculated formula: C16 H18 Cl2 Ge
• SMILES: C(Cc1ccccc1)[Ge](CCc1ccccc1)(Cl)Cl
• Title of publication: Deviation from Tetrahedral Geometry in Me2GeCl2: Crystal Structure of a Model Compound and Insight from ab Initio Calculations
• Authors of publication: Heidi Rohwer; Jan Dillen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4167 - 4172
• a: 9.2079 ± 0.0002 Å
• b: 19.5396 ± 0.0004 Å
• c: 9.7845 ± 0.0002 Å
• α: 90°
• β: 114.219 ± 0.001°
• γ: 90°
• Cell volume: 1605.47 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No