Information card for entry 7106828

Structure parameters

• Formula: C16 H36 Br6 Ge8 P4
• Calculated formula: C16 H36 Br6 Ge8 P4
• SMILES: CC(C)(C)[P]12[Ge]3[P]4(C(C)(C)C)[Ge]5[P]3(C(C)(C)C)[Ge]([Ge]3([P]5(C(C)(C)C)[Ge](Br)(Br)[Ge]4[Ge]13Br)Br)[Ge]2(Br)Br
• 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: 16.9638 ± 0.0002 Å
• b: 13.8428 ± 0.0001 Å
• c: 16.3948 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3849.93 ± 0.07 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No