Information card for entry 7128545

Structure parameters

• Chemical name: [K(2,2,2-crypt)]2Ni[Ge9{Si(SiMe3)}3]2*2THF
• Formula: C98 H250 Ge18 K2 N4 Ni O14 Si24
• Calculated formula: C98 H250 Ge18 K2 N4 Ni O14 Si24
• 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: 15.6461 ± 0.0003 Å
• b: 16.2709 ± 0.0004 Å
• c: 18.7924 ± 0.0003 Å
• α: 85.101 ± 0.002°
• β: 69.035 ± 0.002°
• γ: 82.861 ± 0.002°
• Cell volume: 4428.42 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No