Information card for entry 3000214

Structure parameters

• Chemical name: iron(III) hexathiocyanatobismuthate
• Formula: C6 Bi Fe N6 S6
• Authors of publication: Matthew Cliffe
• Journal of publication: To be published in Chemical Science
• a: 8.384 ± 0.0001 Å
• b: 8.4926 ± 0.0001 Å
• c: 12.1272 ± 0.0002 Å
• α: 90°
• β: 90.06 ± 0.001°
• γ: 90°
• Cell volume: 863.48 ± 0.02 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0323
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No