Information card for entry 7128546

Structure parameters

• Chemical name: Ge8{Si(SiMe3)}3NiCp*1.5tol
• Formula: C42.5 H98 Ge8 Ni Si12
• Calculated formula: C42.5 H98 Ge8 Ni Si12
• Title of publication: Cluster expansion and vertex substitution pathways in nickel germanide Zintl clusters
• Authors of publication: Townrow, Oliver P. E.; Weller, Andrew S.; Goicoechea, Jose M.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.5585 ± 0.0004 Å
• b: 14.6574 ± 0.0006 Å
• c: 27.0969 ± 0.0012 Å
• α: 97.455 ± 0.004°
• β: 97.365 ± 0.004°
• γ: 102.627 ± 0.003°
• Cell volume: 3624.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No