Information card for entry 2239521

Structure parameters

• Chemical name: Tricaesium scandium(III) hexachloride
• Formula: Cl6 Cs3 Sc
• Calculated formula: Cl6 Cs3 Sc
• SMILES: [Cs+].[Cs+].[Cs+].[Sc](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-]
• Title of publication: Cs~3~ScCl~6~
• Authors of publication: Ward, Matthew D.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: i25
• a: 26.331 ± 0.0005 Å
• b: 7.9632 ± 0.0002 Å
• c: 12.7085 ± 0.0003 Å
• α: 90°
• β: 100.006 ± 0.001°
• γ: 90°
• Cell volume: 2624.17 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes