Information card for entry 4334842

Structure parameters

• Formula: C54 H133.53 Ge6.63 K3 N14.51 O18 Si2.38
• Calculated formula: C54 H133.53 Ge6.624 K3 N14.51 O18 Si2.376
• Title of publication: Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9-xGex]3-
• Authors of publication: Markus Waibel; Thomas F. Fässler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5861 - 5866
• a: 14.1673 ± 0.0008 Å
• b: 15.1827 ± 0.0008 Å
• c: 22.9666 ± 0.0013 Å
• α: 80.043 ± 0.002°
• β: 84.853 ± 0.003°
• γ: 66.496 ± 0.002°
• Cell volume: 4460.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No