Information card for entry 4320349

Structure parameters

• Common name: CaNa10Sn12
• Formula: Ca Na10 Sn12
• Calculated formula: Ca Na10 Sn12
• SMILES: [Ca+2].[Sn]12[Sn]3[Sn]4[Sn]5[Sn]6[Sn]7[Sn]([Sn]1[Sn]2[Sn]56)[Sn]7[Sn]34.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Synthesis and Characterization of the Largest Isolated Clusters of Tin, [Sn12]12-, in (AE)Na10Sn12 (AE = Ca or Sr)
• Authors of publication: Svilen Bobev; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5361 - 5364
• a: 11.1847 ± 0.0006 Å
• b: 11.1847 ± 0.0006 Å
• c: 11.1847 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.18 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0136
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No