Information card for entry 1576932

Structure parameters

• Formula: C16 H64 Fe0.06 Li4 N16 Sn9
• Calculated formula: C16 H64 Fe0.059 Li4 N16 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: 12.2812 ± 0.0004 Å
• b: 12.5497 ± 0.0004 Å
• c: 17.7177 ± 0.0005 Å
• α: 75.249 ± 0.002°
• β: 71.32 ± 0.002°
• γ: 62.721 ± 0.002°
• Cell volume: 2280.26 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No