Information card for entry 4064027

Structure parameters

• Common name: COMPOUND 1
• Formula: C54 H46 Ge4
• Calculated formula: C54 H46 Ge4
• SMILES: c1(ccccc1)[Ge](c1ccccc1)(c1ccccc1)[GeH]([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†
• Authors of publication: Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1046
• a: 17.1845 ± 0.0005 Å
• b: 11.2369 ± 0.0003 Å
• c: 24.8346 ± 0.0007 Å
• α: 90°
• β: 108.38 ± 0.002°
• γ: 90°
• Cell volume: 4550.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No