Information card for entry 2237731

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridinium tetrachloridoferrate(III)
• Formula: C7 H11 Cl4 Fe N2
• Calculated formula: C7 H11 Cl4 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].c1c[nH+]ccc1N(C)C
• Title of publication: 4-(Dimethylamino)pyridinium tetrachloridoferrate(III)
• Authors of publication: Khadri, Amina; Bouchene, Rafika; Bouacida, Sofiane; Merazig, Hocine; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m190
• a: 9.036 ± 0.0002 Å
• b: 14.0492 ± 0.0005 Å
• c: 10.2077 ± 0.0003 Å
• α: 90°
• β: 98.7259 ± 0.0009°
• γ: 90°
• Cell volume: 1280.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes