Information card for entry 2019521

Structure parameters

• Chemical name: Tetraethylammonium tetrachloridoferrate(III)
• Formula: C8 H20 Cl4 Fe N
• Calculated formula: C8 H20 Cl4 Fe N
• SMILES: [N+](CC)(CC)(CC)CC.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)
• Authors of publication: Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 470 - 476
• a: 14.0182 ± 0.0008 Å
• b: 8.1493 ± 0.0005 Å
• c: 12.8767 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.02 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes