Information card for entry 1576934

Structure parameters

• Formula: C27 H60 Fe0.06 K4 N3 O12 Sn9
• Calculated formula: C27 H60 Fe0.055 K4 N3 O12 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: 10.4131 ± 0.0002 Å
• b: 25.7429 ± 0.0007 Å
• c: 20.7178 ± 0.0004 Å
• α: 90°
• β: 102.491 ± 0.002°
• γ: 90°
• Cell volume: 5422.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No