Information card for entry 7106827

Structure parameters

• Formula: C22 H50 Cl6 Ge7 P4
• Calculated formula: C16 H36 Cl6 Ge7 P4
• SMILES: C(C)([P]12[Ge]3[P]4(C(C)(C)C)[Ge]5[P](C(C)(C)C)([Ge]1[Ge]4(Cl)Cl)[Ge](Cl)(Cl)[Ge]2[P]5([Ge]3(Cl)Cl)C(C)(C)C)(C)C
• Title of publication: Germanium/Phosphorus Cage Compounds with Germanium in Three Different Oxidation States
• Authors of publication: Stefan Almstatter; Balazs Gabor; Michael Bodensteiner; Manfred Scheer
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9998
• a: 14.2614 ± 0.0004 Å
• b: 14.2614 ± 0.0004 Å
• c: 11.0241 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1941.77 ± 0.08 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No