Information card for entry 3000216

Structure parameters

• Common name: scandium(III) hexathiocyanatobismuthate
• Formula: C6 Bi N6 S6 Sc
• Authors of publication: Matthew Cliffe
• Journal of publication: To be published in Chemical Science
• a: 8.4782 ± 0.0002 Å
• b: 8.6324 ± 0.0002 Å
• c: 12.2676 ± 0.0003 Å
• α: 90°
• β: 90.345 ± 0.001°
• γ: 90°
• Cell volume: 897.82 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No