Information card for entry 1576936

Structure parameters

• Formula: C16 H64 Li4 N16 Ni Sn9
• Calculated formula: C16 H64 Li4 N16 Ni Sn9
• Title of publication: Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.
• Authors of publication: Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 5498 - 5509
• a: 14.3235 ± 0.0004 Å
• b: 17.347 ± 0.0004 Å
• c: 18.893 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4694.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No