Information card for entry 4080611

Structure parameters

• Formula: C30 H42 Ge2
• Calculated formula: C30 H42 Ge2
• SMILES: C(C(C)C)[Ge](CC(C)C)(CC(C)C)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Substituent Effects in Digermanes: Electrochemical, Theoretical, and Structural Investigations
• Authors of publication: Schrick, Erin K.; Forget, Trevor J.; Roewe, Kimberly D.; Schrick, Aaron C.; Moore, Curtis E.; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2245
• a: 24.203 ± 0.003 Å
• b: 9.25 ± 0.0011 Å
• c: 24.86 ± 0.003 Å
• α: 90°
• β: 94.039 ± 0.002°
• γ: 90°
• Cell volume: 5551.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No