Information card for entry 2021974

Structure parameters

• Chemical name: Tetraethylammonium tetrathiorhenate
• Formula: C8 H20 N Re S4
• Calculated formula: C8 H20 N Re S4
• SMILES: [Re](=S)(=S)(=S)[S-].[N+](CC)(CC)(CC)CC
• 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: 7.9 ± 0.002 Å
• b: 12.842 ± 0.003 Å
• c: 8.118 ± 0.002 Å
• α: 90°
• β: 119.04 ± 0.02°
• γ: 90°
• Cell volume: 720 ± 0.3 ų
• Cell temperature: 149.9 ± 0.3 K
• Ambient diffraction temperature: 149.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes