Information card for entry 4078600

Structure parameters

• Formula: C72 H60 Ge5
• Calculated formula: C72 H60 Ge5
• SMILES: [Ge]([Ge]([Ge]([Ge]([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge
• Authors of publication: Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4374
• a: 14.3026 ± 0.0012 Å
• b: 19.1586 ± 0.0017 Å
• c: 21.3983 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5863.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0861
• 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