Information card for entry 4334841

Structure parameters

• Formula: C54 H132 Ge6.81 N14 O18 Rb3 Si2.2
• Calculated formula: C54 H132 Ge6.808 N14 O18 Rb3 Si2.192
• 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: 14.1713 ± 0.0005 Å
• b: 15.1574 ± 0.0006 Å
• c: 22.9195 ± 0.0009 Å
• α: 80.251 ± 0.003°
• β: 84.862 ± 0.003°
• γ: 66.63 ± 0.004°
• Cell volume: 4452.6 ± 0.3 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: 0.1716
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No