Information card for entry 4311647

Structure parameters

• Common name: Na8BaPb6
• Formula: Ba Na8 Pb6
• Calculated formula: Ba Na8 Pb6
• SMILES: [Ba].[Pb].[Pb].[Pb].[Na].[Na].[Pb].[Pb].[Na].[Na].[Pb].[Na].[Na].[Na].[Na]
• Title of publication: Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6
• Authors of publication: Iliya Todorov; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6490 - 6494
• a: 13.1174 ± 0.001 Å
• b: 5.3587 ± 0.001 Å
• c: 16.1769 ± 0.001 Å
• α: 90°
• β: 108.081 ± 0.01°
• γ: 90°
• Cell volume: 1081 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No