Information card for entry 2021972

Structure parameters

• Chemical name: Tetraethylammonium tetrathiorhenate
• Formula: C8 H20 N Re S4
• Calculated formula: C8.0016 H20.004 N1.0002 Re S4
• Title of publication: Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
• Authors of publication: Bernhardt, Eduard; Herbst-Irmer, Regine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 8.15 ± 0.002 Å
• b: 8.15 ± 0.003 Å
• c: 13.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 753.1 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes